Results for:
Species: Bacillus amyloliquefaciens IN937a

Signature

3-hydroxybutan-2-one

Mass-Spectra

Compound Details

Synonymous names

acetylmethylcarbinol

Dimethylketol

Acethoin

acetoine

ROWKJAVDOGWPAT-UHFFFAOYSA-N

acetoin

NATURAL ACETOIN

Acetyl methyl carbinol

acetylmethyl-

beta-oxobutane

Methanol, acetylmethyl

3-Hydroxybutanone

b-oxobutane

Acetoin, analytical standard

DL-Acetoin

gamma-Hydroxy-beta-oxobutane

1-Hydroxyethyl methyl ketone

Methanol, acetylmethyl-

1-Hydroxethyl methyl ketone

2-Acetoin

Acetyl Methyl Carbinol, Natural

AC1L18NL

AC1Q1JA8

Acetoin (natural)

KSC490C7N

2,3-Butanolone

3-Hydroxy-2-butanone; Acetylmethylcarbinol

NSC7609

UN2621

2-hydroxy-3-oxobutane

3-hydroxy-2-oxobutane

3-hydroxyl-2-butanone

Acetoin, May exist as crystalline dimer

CTK3J0176

HMDB03243

HSDB 974

2-Hydroxy-3-butanone

3-hydroxy-2-butanone

3-hydroxy-2-butanone, hydroxybutanone

3-hydroxybutan-2-one

LS-164

NSC89727

RP18489

C00466

CCRIS 2918

LTBB004792

2-Butanol-3-one

3-Oxo-2-butanol

AK128843

CHEMBL3561873

DTXSID0024399

NSC 7609

NSC-7609

OR035239

OR108639

OR315616

UN 2621

Acetoin, >=96%, natural

CHEBI:15688

DSSTox_CID_4399

2-butanone, 3-hydroxy

3-hydroxy-butan-2-one

AB1002764

AN-45468

ANW-31250

DSSTox_GSID_24399

KB-32104

NSC-89727

SC-18553

DSSTox_RID_77389

LMFA12000020

MFCD00004521

MFCD00038696

AI3-03314

Butan-2-ol-3-one

DB-003392

RTR-018308

ST24042214

TR-018308

.gamma.-Hydroxy-.beta.-oxobutane

AKOS000121293

AKOS017278202

I09-0138

Q-200581

2-Butanone, 3-hydroxy-

BRN 0385636

FEMA No. 2008

FT-0621797

FT-0695713

Acetoin, natural, >=95%, FG

Tox21_302518

513-86-0

F0001-1338

PROPOXY, 1-METHYL-2-OXO-

(+/-)-Acetoin

Acetoin, >=96%, FCC, FG

Butan-2-one, 3-hydroxy-

MCULE-5374414264

NCGC00256914-01

CAS-513-86-0

EINECS 208-174-1

51555-24-9

52217-02-4

Acetyl methyl carbinol [UN2621] [Flammable liquid]

MolPort-001-785-644

Acetyl methyl carbinol [UN2621] [Flammable liquid]

(+/-)-3-Hydroxybutan-2-one

2-Butanone, 3-hydroxy- (8CI,9CI)

2-Butanone, 3-hydroxy-, (R)-

2-01-00-00870 (Beilstein Handbook Reference)

2-Butanone, 3-hydroxy-, (.+/-.)-

IUPAC name

3-hydroxybutan-2-one

SMILES

CC(C(=O)C)O

Inchi

InChI=1S/C4H8O2/c1-3(5)4(2)6/h3,5H,1-2H3

Formula

C₄H₈O₂

PubChem ID

179

Molweight

88.106

LogP

-0.14

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

Ketones Alcohols Alcohol Ketone

mVOC Specific Details

Volatilization

The Henry's Law constant for acetoin is estimated as 1.0X0-5 atm-cu m/mole(SRC) using a fragment constant estimation method(1). This Henry's Law constant indicates that acetoin is expected to volatilize from water surfaces(2). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec)(2) is estimated as 2 days(SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(2) is estimated as 28 days(SRC). Acetoin's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). Acetoin is expected to volatilize from dry soil surfaces(SRC) based upon an estimated vapor pressure of 2.7 mm Hg(SRC), determined from a fragment constant method(3).
Literature: (1) Meylan WM, Howard PH; Environ Toxicol Chem 10: 1283-93 (1991) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (3) Lyman WJ; p. 31 in Environmental Exposure From Chemicals Vol I, Neely WB, Blau GE, eds, Boca Raton, FL: CRC Press (1985)

Soil Adsorption

The Koc of acetoin is estimated as 2(SRC), using a water solubility of 1.0X10+6 mg/L(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that aetoin is expected to have very high mobility in soil.
Literature: (1) Yalkowsky SH, Dannenfelser RM; The AQUASOL DATABASE of Aqueous Solubility. Ver 5. Tucson, AZ: Univ AZ, College of Pharmacy (1992) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 4-5 (1990) (3) Swann RL et al; Res Rev 85: 17-28 (1983)

Vapor Pressure

Pressure	Reference
2.7X10+0 at 25 deg C /Estimated/	US EPA; Estimation Program Interface (EPI) Suite. Ver.3.11. June 10, 2003. Available from, as of Mar 15, 2005: http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm

MS-Links

MS-MS Spectrum 13740

MS-MS Spectrum 2219 - Quattro_QQQ 25V Positive delivery=Flow_Injection analyzer=Triple_Quad

MS-MS Spectrum 5865 - EI-B (HITACHI M-80B) Positive

MS-MS Spectrum 7069

MS-MS Spectrum 2218 - Quattro_QQQ 10V Positive delivery=Flow_Injection analyzer=Triple_Quad

MS-MS Spectrum 2220 - Quattro_QQQ 40V Positive delivery=Flow_Injection analyzer=Triple_Quad

1D-NMR-Links

1D NMR Spectrum 4163

1D NMR Spectrum 3890

1D NMR Spectrum 1939 - Bruker 600 MHz 1H NMR

Microorganisms emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Bacteria	Collimonas Fungivorans Ter331	n/a		Garbeva et al., 2013
Bacteria	Collimonas Pratensis Ter91	n/a		Garbeva et al., 2013
Bacteria	Bacillus Amyloliquefaciens IN937a	triggers induced systemic resistance (ISR) in Arabidopsis	na	Ryu et al., 2004
Bacteria	Bacillus Subtilis 168	triggers induced systemic resistance (ISR) in Arabidopsis	na	Ryu et al., 2004
Bacteria	Bacillus Subtilis GB03	triggers induced systemic resistance (ISR) in Arabidopsis	na	Ryu et al., 2004
Bacteria	Escherichia Coli O157:H8		China Center of Industrial culture Collection, China General Microbiological Culture Collection Center	Chen et Al. 2017
Bacteria	Lactobacillus Rhamnosus LSL 216	na	na	PogaÄiÄ‡ et al., 2016
Bacteria	Listeria Monocytogenes ATCC 19111		China Center of Industrial culture Collection, China General Microbiological Culture Collection Center	Chen et Al. 2016
Bacteria	Paenibacillus Polymyxa Sb3-1		collection TU Graz	Rybakova et al. 2017
Bacteria	Serratia Spp. B2675	n/a		Bruce et al., 2004
Bacteria	Serratia Spp. B675	n/a		Bruce et al., 2004
Bacteria	Shigella Flexneri CGCMCC 1.1868		China Center of Industrial culture Collection, China General Microbiological Culture Collection Center	Chen et Al. 2016
Bacteria	Staphylococcus Aureus	n/a		Preti et. al., 2009
Bacteria	Staphylococcus Aureus ATCC 6538		China Center of Industrial culture Collection, China General Microbiological Culture Collection Center	Chen et Al. 2016
Bacteria	Staphylococcus Epidermidis		DSMZ	Verhulst et al. 2010
Bacteria	Staphylococcus Sciuri	na	from the gut flora of pea aphid Acyrthosiphon pisum honeydew	Leroy et al., 2011
Fungi	Laccaria Bicolor	n/a		Mueller et al., 2013
Fungi	Paxillus Involutus MAJ	n/a		Mueller et al., 2013
Fungi	Paxillus Involutus NAU	n/a		Mueller et al., 2013
Fungi	Pleurotus Eryngii Var. Tuoliensis	na	na	Usami et al., 2014
Fungi	Stropharia Rugosoannulata	n/a		Mueller et al., 2013
Fungi	Trichoderma Viride	n/a		Mueller et al., 2013
Fungi	Tuber Borchii	na	na	Splivallo and Ebeler 2015
Fungi	Tuber Indicum		T. melanosporum, T. borchii were collected from northern Italy (Piedmont) and T. indicum from Yunnan and Sichuan Provinces (China).	Splivallo et al., 2007b
Fungi	Tuber Melanosporum	n/a	Agricultural Centre of Castilla and LeÃƒÂ³n Community (Monasterio de la Santa Espina, Valladolid, Spain) and Navaleno (Soria, Spain).	Diaz et al., 2003
Bacteria	Bacillus Cereus B-569	n/a		Blom et al., 2011
Bacteria	Burkholderia Graminis LMG 18924	n/a		Blom et al., 2011
Bacteria	Burkholderia Tropica LMG 22274	n/a		Blom et al., 2011
Bacteria	Chromobacterium Violaceum CV0	n/a		Blom et al., 2011
Bacteria	Enterobacter Agglomerans			Robacker and Lauzon 2002
Bacteria	Limnobacter Thiooxidans LMG 19593	n/a		Blom et al., 2011
Bacteria	Pandoraea Norimbergensis LMG 18379	n/a		Blom et al., 2011
Bacteria	Pseudomonas Chlororaphis	n/a		Blom et al., 2011
Bacteria	Serratia Entomophilia A1MO2	n/a		Blom et al., 2011
Bacteria	Serratia Marcescens MG1	n/a		Blom et al., 2011
Bacteria	Serratia Plymuthica HRO-C48	n/a		Blom et al., 2011
Bacteria	Serratia Plymuthica IC14	n/a		Blom et al., 2011
Bacteria	Serratia Proteamaculans B5a	n/a		Blom et al., 2011
Bacteria	Stenotrophomonas Rhizophilla Ep10-p69	n/a		Blom et al., 2011
Fungi	Candida Shehatae		cacti, fruits, insects, natural habitats	Nout and Bartelt 1998
Bacteria	Azospirillum Brasilense Cd	promotion of performance of Chlorella sorokiniana Shih	culture collection DSMZ 1843	Amavizca et al. 2017
Bacteria	Bacillus Amyloliquefaciens IN937a	Induce growth promotion (leaf surface area), systemic resistance (ISR) and regulate auxin homeostasis in Arabidopsis thaliana.		Ryu et al., 2003
Bacteria	Bacillus Amyloliquefaciens UCMB5113	na	na	Asari et al., 2016
Bacteria	Bacillus Pumilus ES4	promotion of performance of Chlorella sorokiniana Shih		Amavizca et al. 2017
Bacteria	Bacillus Spp.	It is an attractant to Anastrepha ludens (Diptera).		Schulz and Dickschat, 2007
Bacteria	Bacillus Subtilis GB03	Induce growth promotion (leaf surface area), systemic resistance (ISR) and regulate auxin homeostasis in Arabidopsis thaliana.		Ryu et al., 2003
Bacteria	Clostridium Sp.	n/a		Stotzky and Schenk, 1976
Bacteria	Coagulase-negative Staphylococci	n/a		Hettinga et al., 2008
Bacteria	Enterobacter Spp.	It is an attractant to Anastrepha ludens (Diptera).		Schulz and Dickschat, 2007
Bacteria	Escherichia Coli DH5a	promotion of performance of Chlorella sorokiniana Shih		Amavizca et al. 2017
Bacteria	Klebsiella Sp.	It is an attractant to Anastrepha ludens (Diptera).		Schulz and Dickschat, 2007
Bacteria	Lactobacillus Casei NCIB 8010	n/a		Tracey and Britz, 1989
Bacteria	Lactobacillus Plantarum NCIB 6376	n/a		Tracey and Britz, 1989
Bacteria	Lactococcus Lactis DSM 20202	n/a		Tracey and Britz, 1989
Bacteria	Leuconostoc Cremoris DSM 20346	n/a		Tracey and Britz, 1989
Bacteria	Leuconostoc Dextranicum DSM 20484	n/a		Tracey and Britz, 1989
Bacteria	Leuconostoc Mesenteroides DSM 20343	n/a		Tracey and Britz, 1989
Bacteria	Leuconostoc Oenos B66	n/a		Tracey and Britz, 1989
Bacteria	Leuconostoc Oenos 19	n/a		Tracey and Britz, 1989
Bacteria	Leuconostoc Oenos 30	n/a		Tracey and Britz, 1989
Bacteria	Leuconostoc Oenos 36	n/a		Tracey and Britz, 1989
Bacteria	Leuconostoc Oenos 37D	n/a		Tracey and Britz, 1989
Bacteria	Leuconostoc Oenos DSM 20255	n/a		Tracey and Britz, 1989
Bacteria	Leuconostoc Oenos DSM 20257	n/a		Tracey and Britz, 1989
Bacteria	Leuconostoc Paramesenteroides DSM 20288	n/a		Tracey and Britz, 1989
Bacteria	Paenibacillus Polymyxa E681	n/a		Lee et al., 2012
Bacteria	Pediococcus Damnosus DSM 20331	n/a		Tracey and Britz, 1989
Bacteria	Serratia Sp.	It is an attractant to Anastrepha ludens (Diptera).		Schulz and Dickschat, 2007
Bacteria	Staphylococcus Aureus	n/a		Hettinga et al., 2008
Bacteria	Staphylococcus Epidermidis DSM 3269		clinical isolate,catheter	Lemfack et al. 2016
Bacteria	Staphylococcus Haemolyticus CCM 2729		clinical isolate,human skin	Lemfack et al. 2016
Bacteria	Staphylococcus Saccharolyticus B5709		clinical isolate	Lemfack et al. 2016
Bacteria	Staphylococcus Schleiferi DSMZ 4807		clinical isolate	Lemfack et al. 2016
Bacteria	Staphylococcus Schleiferi H34		clinical isolate	Lemfack et al. 2016
Bacteria	Staphylococcus Sp.	It is an attractant to Anastrepha ludens (Diptera).		Schulz and Dickschat, 2007
Bacteria	Staphylococcus Warneri CCM 2730		clinical isolate,human skin	Lemfack et al. 2016
Bacteria	Streptococcus Dysgalactiae		milk of cows	Hettinga et al 2010
Bacteria	Streptococcus Uberis	n/a		Hettinga et al., 2008
Bacteria	Streptomyces Spp.	It is an attractant to Anastrepha ludens (Diptera).		Schulz and Dickschat, 2007
Fungi				Dickschat et al. 2011
Fungi	Boletus Variegatus	n/a		Stotzky and Schenk, 1976
Fungi	Saccharomyces Cerevisiae		grape vine	Becher et al. 2012
Fungi	Trichoderma Viride	n/a		Hung et al., 2013
Fungi	Verticillium Longisporum		collection TU Graz	Rybakova et al. 2017

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Bacteria	Collimonas Fungivorans Ter331	sand supplemented with artificial root exudates	Headspace trapping/GC-MS
Bacteria	Collimonas Pratensis Ter91	sand supplemented with artificial root exudates	Headspace trapping/GC-MS
Bacteria	Bacillus Amyloliquefaciens IN937a	Murashige and Skoog medium	capillary GC;GC/MS	Yes
Bacteria	Bacillus Subtilis 168	Murashige and Skoog medium	capillary GC;GC/MS	Yes
Bacteria	Bacillus Subtilis GB03	Murashige and Skoog medium	capillary GC;GC/MS	Yes
Bacteria	Escherichia Coli O157:H8	Trypticase Soy Broth (TSB)	HS-SPME/'GC-MS	no
Bacteria	Lactobacillus Rhamnosus LSL 216	curd-based broth medium	GC/MS	Yes
Bacteria	Listeria Monocytogenes ATCC 19111	Trypticase Soy Broth (TSB)	HS-SPME/'GC-MS	no
Bacteria	Paenibacillus Polymyxa Sb3-1		GC-MS / SPME	no
Bacteria	Serratia Spp. B2675	n/a	n/a
Bacteria	Serratia Spp. B675	n/a	n/a
Bacteria	Shigella Flexneri CGCMCC 1.1868	Trypticase Soy Broth (TSB)	HS-SPME/'GC-MS	no
Bacteria	Staphylococcus Aureus	Blood agar/chocolate blood aga	HS-SPME/GC-MS
Bacteria	Staphylococcus Aureus ATCC 6538	Trypticase Soy Broth (TSB)	HS-SPME/'GC-MS	no
Bacteria	Staphylococcus Epidermidis	CLSA, charcoal, GC-MS		no
Bacteria	Staphylococcus Sciuri	867 liquid medium	SPME-GC/MS
Fungi	Laccaria Bicolor	Melin-Nor krans synthetic medium (modified)	Headspace trapping ( using stir bar sorptive extraction )/ GC-MS
Fungi	Paxillus Involutus MAJ	Melin-Nor krans synthetic medium (modified)	Headspace trapping ( using stir bar sorptive extraction )/ GC-MS
Fungi	Paxillus Involutus NAU	Melin-Nor krans synthetic medium (modified)	Headspace trapping ( using stir bar sorptive extraction )/ GC-MS
Fungi	Pleurotus Eryngii Var. Tuoliensis	na	GC/MS, GC-O, AEDA	No
Fungi	Stropharia Rugosoannulata	Melin-Nor krans synthetic medium (modified)	Headspace trapping ( using stir bar sorptive extraction )/ GC-MS
Fungi	Trichoderma Viride	Melin-Nor krans synthetic medium (modified)	Headspace trapping ( using stir bar sorptive extraction )/ GC-MS
Fungi	Tuber Borchii	na	SPME-GC/MS/O); GC-R	Yes
Fungi	Tuber Indicum			Yes
Fungi	Tuber Melanosporum	n/a	Headspace solid-phase microextraction (HS-SPME) combined with GC-MS
Bacteria	Bacillus Cereus B-569	MR-VP and MS	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria	Burkholderia Graminis LMG 18924	MS	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria	Burkholderia Tropica LMG 22274	MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria	Chromobacterium Violaceum CV0	MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria	Enterobacter Agglomerans			no
Bacteria	Limnobacter Thiooxidans LMG 19593	MR-VP and MS	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria	Pandoraea Norimbergensis LMG 18379	MS	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria	Pseudomonas Chlororaphis	MR-VP and MS	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria	Serratia Entomophilia A1MO2	MR-VP and MS	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria	Serratia Marcescens MG1	LB, MR-VP and MS	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria	Serratia Plymuthica HRO-C48	MR-VP and MS	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria	Serratia Plymuthica IC14	MR-VP and MS	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria	Serratia Proteamaculans B5a	LB, MR-VP and MS	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria	Stenotrophomonas Rhizophilla Ep10-p69	MR-VP and LB	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Fungi	Candida Shehatae	yeast malt agar	SPME, GC-MS	yes
Bacteria	Azospirillum Brasilense Cd	TSA	SPME-GC	no
Bacteria	Bacillus Amyloliquefaciens IN937a	n/a	n/a
Bacteria	Bacillus Amyloliquefaciens UCMB5113	M9A	GC/MS	No
Bacteria	Bacillus Pumilus ES4	TSA	SPME-GC	no
Bacteria	Bacillus Spp.	n/a	n/a
Bacteria	Bacillus Subtilis GB03	n/a	n/a
Bacteria	Clostridium Sp.	n/a	n/a
Bacteria	Coagulase-negative Staphylococci	Milk	HS-SPME/GC-MS
Bacteria	Enterobacter Spp.	n/a	n/a
Bacteria	Escherichia Coli DH5a	TSA	SPME-GC	no
Bacteria	Klebsiella Sp.	n/a	n/a
Bacteria	Lactobacillus Casei NCIB 8010	n/a	n/a
Bacteria	Lactobacillus Plantarum NCIB 6376	n/a	n/a
Bacteria	Lactococcus Lactis DSM 20202	n/a	n/a
Bacteria	Leuconostoc Cremoris DSM 20346	n/a	n/a
Bacteria	Leuconostoc Dextranicum DSM 20484	n/a	n/a
Bacteria	Leuconostoc Mesenteroides DSM 20343	n/a	n/a
Bacteria	Leuconostoc Oenos B66	n/a	n/a
Bacteria	Leuconostoc Oenos 19	n/a	n/a
Bacteria	Leuconostoc Oenos 30	n/a	n/a
Bacteria	Leuconostoc Oenos 36	n/a	n/a
Bacteria	Leuconostoc Oenos 37D	n/a	n/a
Bacteria	Leuconostoc Oenos DSM 20255	n/a	n/a
Bacteria	Leuconostoc Oenos DSM 20257	n/a	n/a
Bacteria	Leuconostoc Paramesenteroides DSM 20288	n/a	n/a
Bacteria	Paenibacillus Polymyxa E681	Tryptic soy agar	SPME coupled with GC-MS
Bacteria	Pediococcus Damnosus DSM 20331	n/a	n/a
Bacteria	Serratia Sp.	n/a	n/a
Bacteria	Staphylococcus Aureus	Milk	HS-SPME/GC-MS
Bacteria	Staphylococcus Epidermidis DSM 3269	brain heart infusion medium	Porapak / GC/MS	no
Bacteria	Staphylococcus Haemolyticus CCM 2729	brain heart infusion medium	Porapak / GC/MS	no
Bacteria	Staphylococcus Saccharolyticus B5709	brain heart infusion medium	Porapak / GC/MS	no
Bacteria	Staphylococcus Schleiferi DSMZ 4807	brain heart infusion medium	Porapak / GC/MS	no
Bacteria	Staphylococcus Schleiferi H34	brain heart infusion medium	Porapak / GC/MS	no
Bacteria	Staphylococcus Sp.	n/a	n/a
Bacteria	Staphylococcus Warneri CCM 2730	brain heart infusion medium	Porapak / GC/MS	no
Bacteria	Streptococcus Dysgalactiae		GCMS DSQ	no
Bacteria	Streptococcus Uberis	Milk	HS-SPME/GC-MS
Bacteria	Streptomyces Spp.	n/a	n/a
Fungi				no
Fungi	Boletus Variegatus	n/a	n/a
Fungi	Saccharomyces Cerevisiae	synthetic minimal medium	GC-MS, EI	yes
Fungi	Trichoderma Viride	Malt extract agar	Headspace volatiles collected with colomn/TD-GC-MS
Fungi	Verticillium Longisporum	potato dextrose agar (PDA), Czapek Dox liquid culture	GC-MS / SPME	no

Propan-2-one

Mass-Spectra

Compound Details

Synonymous names

Dimethylformaldehyde

dimethylcetone

dimethylketone

Dimethyl formaldehyde

Dimethylketal

Dimethylketon

methylketone

isopropanal

CSCPPACGZOOCGX-UHFFFAOYSA-N

Propanon

propanone

Sasetone

Aceton

acetone

Acetone, Spectrophotometric Grade

Azeton

beta-Ketopropane

Chevron acetone

Citronellidene Acetone; Baccartol

Dimethyl ketone

Pyroacetic acid

Pyroacetic ether

2propanone

b-Ketopropane

Dimethylketone, Pyroacetic acid

Ketone propane

Methyl ketone

methyl-ketone

Acetone HP

Acetone HPLC grade

Acetone, analytical standard

Acetone, Environmental Grade

Acetone, Semiconductor Grade

d-acetone

Acetone Reagent Grade ACS

Ketone, dimethyl

2-propanal

2-propanone

Acetone, technical grade

ACETONE, ACS

ACETONE, HPLC

AC1L18NO

Acetone, ACS reagent

Acetone, HPLC Grade

Acetone, suitable for determination of dioxins

.beta.-Ketopropane

Acetone (natural)

Acetone, for HPLC

ACMC-1AI6Y

Ketone, dimethyl-

Pyroacetic spirit (archaic)

Acetone, pharmaceutical secondary standard; traceable to USP

Acetone, puriss.

HSDB 41

KSC353M9B

propan-2-one

UNII-N4G9GAT76C component CSCPPACGZOOCGX-UHFFFAOYSA-N

CHEMBL14253

UN1090

A0054

Acetone (NF)

Acetone (TN)

Acetone [NF]

Acetone p.A.

c0556

CTK2F3690

HMDB01659

RL04583

(CH3)2CO

1364PS73AF

C00207

CCRIS 5953

D02311

RCRA waste number U002

WLN: 1V1

ZINC895111

Aceton (GERMAN, POLISH)

Acetone, >=99%, meets FCC analytical specifications

Acetone, GC, for residue analysis

Acetone, United States Pharmacopeia (USP) Reference Standard

DTXSID8021482

LS-1566

NSC135802

OR034251

OR325696

UN 1090

Acetone oil (Salt/Mix)

Acetone, natural, >=97%

CHEBI:15347

DSSTox_CID_1482

UNII-1364PS73AF

AN-41894

DSSTox_GSID_21482

KB-47075

Acetone, 99.5%

Acetone, LR, >=99%

Caswell No. 004

DSSTox_RID_76176

LMFA12000057

MFCD00008765

ZINC00895111

AI3-01238

NSC 135802

NSC-135802

RTR-022713

TR-022713

Acetone, ACS spectrophotometric grade, >=99.5%

AKOS000120890

EPA Pesticide Chemical Code 004101

RCRA waste no. U002

Aceton [German, Dutch, Polish]

Acetone, for chromatography, >=99.8%

Acetone, histological grade, >=99.5%

Acetone, Laboratory Reagent, >=99.5%

FEMA No. 3326

FT-0621799

FT-0671108

67-64-1

Acetone, 99% 1L

I14-51516

Tox21_111096

Tox21_202480

Acetone, >=99.5%, ACS reagent

Acetone, >=99.5%, for residue analysis

Acetone, ACS reagent, >=99.5%

Acetone, AR, >=99.5%

Acetone, for residue analysis, >=99.5%

Acetone, UV HPLC spectroscopic, 99.8%

CAS-67-64-1

2-Propanone, >60% in a non hazardous diluent

4468-52-4

Acetone, for HPLC, >=99.8%

Acetone, for HPLC, >=99.9%

Acetone, JIS special grade, >=99.5%

NCGC00091179-01

NCGC00260029-01

Acetone, puriss., 99.0%

Acetone, SAJ first grade, >=99.0%

EINECS 200-662-2

Acetone [UN1090] [Flammable liquid]

UN 1091 (Salt/Mix)

EC 200-662-2

2941-EP1441224A2

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6121-EP0930075A1

Acetone, for residue analysis, suitable for 5000 per JIS

MolPort-000-871-974

Acetone [UN1090] [Flammable liquid]

79278-EP2305695A2

79278-EP2305696A2

79278-EP2305697A2

79278-EP2305698A2

81217-EP2298761A1

81217-EP2301544A1

81217-EP2305254A1

81217-EP2305687A1

88746-EP2275105A1

88746-EP2305825A1

Acetone, for luminescence, >=99.5% (GC)

Acetone, purum, >=99.0% (GC)

Acetone, ReagentPlus(R), phenol free, >=99.5%

Acetone, semiconductor grade MOS PURANAL(TM) (Honeywell 17921)

Acetone, semiconductor grade ULSI PURANAL(TM) (Honeywell 17014)

Acetone, semiconductor grade VLSI PURANAL(TM) (Honeywell 17617)

Acetone, for HPLC, >=99.8% (GC)

2-Propanone, >10 - 60% in a non hazardous diluent

Acetone, for UV-spectroscopy, ACS reagent, >=99.7% (GC)

Acetone solution, contains 20.0 % (v/v) acetonitrile, for HPLC

InChI=1/C3H6O/c1-3(2)4/h1-2H

Acetone, HPLC Plus, for HPLC, GC, and residue analysis, >=99.9%

Acetone solution, certified reference material, 2000 mug/mL in methanol: water (9:1)

Acetone, puriss., meets analytical specification of Ph. Eur., BP, NF, >=99% (GC)

Acetone, puriss. p.a., ACS reagent, reag. ISO, reag. Ph. Eur., >=99.5% (GC)

IUPAC name

propan-2-one

SMILES

CC(=O)C

Inchi

InChI=1S/C3H6O/c1-3(2)4/h1-2H3

Formula

CH₃COCH₃

PubChem ID

180

Molweight

58.08

LogP

0.11

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

Ketones

mVOC Specific Details

Volatilization

The Henry's Law constant for acetone was measured as 3.50X10-5 atm-cu m/mole(SRC) at 25 deg C(1). This value indicates that acetone is expected to volatilize from water surfaces(2). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec)(2) is estimated as approximately 21 hours(SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(2) is estimated as approximately 8.8 days(SRC). Volatilization rate constants of acetone measured in an experimental stream (234 m long, water velocity 0.67 m/min) were in the range of 8.23X10-4 min-1 to 11.1X10-4 min-1(3); these rate constants correspond to volatilization half-lives of about 10-14 hours(3). Similar experiments in the same stream measured acetone volatilization rate constants in the range of 6.22X10-4 min-1 to 14.5X10-4 min-1(4,5); these rate constants correspond to volatilization half-lives of about 8-18 hours(4,5). Acetone is expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 231 mm Hg at 25 deg C(6).
Literature: (1) Benkelberg HJ et al; J Atmos Chem 20: 17-34 (1995) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (3) Rathbun RE et al; J Hydrol 104: 181-209 (1988) (4) Rathbun RE et al; J Hydrol 123: 225-42 (1991) (5) Rathbun RE et al; Environ Pollut 79: 153-62 (1993) (6) Alarie Y et al; Toxicol Appl Pharmacol 134: 92-99 (1995)

Soil Adsorption

Using a structure estimation method based on molecular connectivity indices(1), the Koc of acetone can be estimated to be 2.4(SRC). According to a classification scheme(2), this estimated Koc value suggests that acetone is expected to have very high mobility in soil. In sorption studies, acetone showed no adsorption to montorillonite, kaolinite clay, or stream sediment(3,4).
Literature: (1) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.11. Nov, 2012. Available from, as of Feb 10, 2015: http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm (2) Swann RL et al; Res Rev 85: 23 (1983) (3) Rathbun RE et al; Chemosphere 11: 1097-114 (1982) (4) Wolfe TA et al; J Water Pollut Control Fed 58: 68-76 (1986)

Vapor Pressure

Pressure	Reference
231 mm Hg at 25 deg C	Alarie Y et al; Toxicol Appl Pharmacol 134: 92-99 (1995)

MS-Links

MS-MS Spectrum 5441 - EI-B (HITACHI RMU-7M) Positive

MS-MS Spectrum 17621

MS-MS Spectrum 5439 - EI-B (JEOL JMS-D-3000) Positive

MS-MS Spectrum 17623

MS-MS Spectrum 5440 - EI-B (HITACHI M-80B) Positive

MS-MS Spectrum 17622

MS-MS Spectrum 1674 - Quattro_QQQ 40V Positive delivery=Flow_Injection analyzer=Triple_Quad

MS-MS Spectrum 10950

MS-MS Spectrum 10951

MS-MS Spectrum 1672 - Quattro_QQQ 10V Positive delivery=Flow_Injection analyzer=Triple_Quad

MS-MS Spectrum 10949

MS-MS Spectrum 1673 - Quattro_QQQ 25V Positive delivery=Flow_Injection analyzer=Triple_Quad

1D-NMR-Links

1D NMR Spectrum 3273 - Varian 25.16 MHz 13C NMR

1D NMR Spectrum 1304 - Bruker 400 MHz 13C NMR

1D NMR Spectrum 2577 - JEOL 300 MHz 1H NMR

1D NMR Spectrum 1742 - Varian 500 MHz 1H NMR

Microorganisms emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Bacteria	Bacillus Megaterium USB2103	lyses red blood cells	rhizosphere of bean plants, southern Italy	Giorgio et al., 2015
Bacteria	Serratia Spp. B2675	n/a		Bruce et al., 2004
Bacteria	Serratia Spp. B675	n/a		Bruce et al., 2004
Fungi	Phomopsis Sp.	na	endophyte of Odontoglossum sp.	Singh et al., 2011
Fungi	Saccharomyces Cerevisiae Y1001	n/a		Bruce et al., 2004
Fungi	Trichodema Pseudokoningii	n/a		Wheatley et al., 1997
Fungi	Trichodema Viride	n/a		Wheatley et al., 1997
Fungi	Tuber Aestivum	n/a	Agricultural Centre of Castilla and LeÃƒÂ³n Community (Monasterio de la Santa Espina, Valladolid, Spain) and Navaleno (Soria, Spain).	Diaz et al., 2003
Fungi	Tuber Melanosporum	n/a	Agricultural Centre of Castilla and LeÃƒÂ³n Community (Monasterio de la Santa Espina, Valladolid, Spain) and Navaleno (Soria, Spain).	Diaz et al., 2003
Bacteria	Azospirillum Brasilense Cd	promotion of performance of Chlorella sorokiniana Shih	culture collection DSMZ 1843	Amavizca et al. 2017
Bacteria	Bacillus Amyloliquefaciens IN937a	n/a		Lee et al., 2012
Bacteria	Bacillus Subtilis GB03	n/a		Lee et al., 2012
Bacteria	Escherichia Coli	n/a		Bunge et al., 2008
Bacteria	Paenibacillus Polymyxa E681	n/a		Lee et al., 2012
Bacteria	Ralstonia Solanacearum	na	na	Spraker et al., 2014
Bacteria	Saccharomonospora Rectivirgula DSM 43113	na	soil	Wilkins, 1996
Bacteria	Shigella Flexneri	n/a		Bunge et al., 2008
Bacteria	Streptomyces Diastatochromogenes ETH 18822	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Albidoflavus AMI 246	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Albus IFO 13014	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Albus Subsp. Pathocidicus IFO 13812	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Antibioticus CBS 659.68	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Antibioticus ETH 22014	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Aureofaciens ETH 28832	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Coelicolor DSM 40233	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Diastatochromogenes ETH 18822	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Diastatochromogenes IFO 13814	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Griseus ATCC 23345	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Griseus IFO 13849	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Hirsutus ATCC 19773	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Hirsutus ETH 1666	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Hygroscopicus ATCC 27438	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Hygroscopicus IFO 13255	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Murinus DSM 40091	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Murinus NRRL 8171	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Olivaceus ETH 6445	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Olivaceus ETH 7437	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Rishiriensis AMI 224	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Spp. AMI 240	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Spp. AMI 243	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Thermoviolaceus CBS 111.62	n/a		Schoeller et al., 2002
Bacteria	Thermoactinomyces Vulgaris DSM 43016	na	soil	Wilkins, 1996
Fungi	Candida Tropicalis	n/a		Bunge et al., 2008
Fungi	Ceratocystis Sp.	Inhibited growth of fungi. Has no effect on bacteria.		Stotzky and Schenk, 1976
Fungi	Penicillium Commune Pitt	na	in dry-cured meat products, cheese	Sunesson et al., 1995
Fungi	Phialophora Fastigiata Conant	na	na	Sunesson et al., 1995
Fungi	Thielaviopsis Basicola	Inhibited growth of fungi. Has no effect on bacteria.		Stotzky and Schenk, 1976
Fungi	Trichoderma Sp.	Inhibited growth of fungi. Has no effect on bacteria.		Stotzky and Schenk, 1976
Fungi	Trichoderma Viride			Hung et al., 2013
Fungi	Tuber Simonea	None	None	March et al., 2006
Fungi	Tuber Aestivum	n/a	Ayme Truffe of Grignan, 26230 France	March et al., 2006
Fungi	Tuber Brumale	n/a	Ayme Truffe of Grignan, 26230 France	March et al., 2006
Fungi	Tuber Melanosporum	n/a	Ayme Truffe of Grignan, 26230 France	March et al., 2006
Fungi	Tuber Mesentericum	n/a	Ayme Truffe of Grignan, 26230 France	March et al., 2006
Fungi	Tuber Miesentericum	None	None	March et al., 2006
Fungi	Tuber Rufum	n/a	Ayme Truffe of Grignan, 26230 France	March et al., 2006
Fungi	Tuber Simonea	n/a	Ayme Truffe of Grignan, 26230 France	March et al., 2006
Fungi	Penicillium Camemberti			Larsen 2002
Fungi	Penicillium Caseifulvum			Larsen 2002
Bacteria	Bacillus Simplex	n/a		Gu et al., 2007
Bacteria	Bacillus Subtilis	n/a		Gu et al., 2007
Bacteria	Bacillus Weihenstephanensis	n/a		Gu et al., 2007
Bacteria	Microbacterium Oxydans	n/a		Gu et al., 2007
Bacteria	Serratia Marcescens	n/a		Gu et al., 2007
Bacteria	Staphylococcus Sciuri	na	from the gut flora of pea aphid Acyrthosiphon pisum honeydew	Leroy et al., 2011
Bacteria	Stenotrophomonas Maltophilia	n/a		Gu et al., 2007
Bacteria	Streptomyces Lateritius	n/a		Gu et al., 2007
Fungi	Tuber Aestivum	n/a	Fortywoodland of the Basilicata region	Mauriello et al., 2004
Fungi	Tuber Oligospermum	n/a	Fortywoodland of the Basilicata region	Mauriello et al., 2004

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Bacteria	Bacillus Megaterium USB2103	King's B Agar	SPME-GC/MS	No
Bacteria	Serratia Spp. B2675	n/a	n/a
Bacteria	Serratia Spp. B675	n/a	n/a
Fungi	Phomopsis Sp.	PDA medium	SPME-GC/MS	Yes
Fungi	Saccharomyces Cerevisiae Y1001	n/a	n/a
Fungi	Trichodema Pseudokoningii	Malt extract/Low medium	GC/MS
Fungi	Trichodema Viride	Malt extract/Low medium	GC/MS
Fungi	Tuber Aestivum	n/a	Headspace solid-phase microextraction (HS-SPME) combined with GC-MS
Fungi	Tuber Melanosporum	n/a	Headspace solid-phase microextraction (HS-SPME) combined with GC-MS
Bacteria	Azospirillum Brasilense Cd	TSA	SPME-GC	no
Bacteria	Bacillus Amyloliquefaciens IN937a	Tryptic soy agar	SPME coupled with GC-MS
Bacteria	Bacillus Subtilis GB03	Tryptic soy agar	SPME coupled with GC-MS
Bacteria	Escherichia Coli	n/a	n/a
Bacteria	Paenibacillus Polymyxa E681	Tryptic soy agar	SPME coupled with GC-MS
Bacteria	Ralstonia Solanacearum	Casamino Acid Peptone Glucose agar	SPME-GC/MS	No
Bacteria	Saccharomonospora Rectivirgula DSM 43113	Nutrient agar CM3	GC/MS
Bacteria	Shigella Flexneri	n/a	n/a
Bacteria	Streptomyces Diastatochromogenes ETH 18822	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS
Bacteria	Streptomyces Albidoflavus AMI 246	n/a	n/a
Bacteria	Streptomyces Albus IFO 13014	n/a	n/a
Bacteria	Streptomyces Albus Subsp. Pathocidicus IFO 13812	n/a	n/a
Bacteria	Streptomyces Antibioticus CBS 659.68	n/a	n/a
Bacteria	Streptomyces Antibioticus ETH 22014	n/a	n/a
Bacteria	Streptomyces Aureofaciens ETH 28832	n/a	n/a
Bacteria	Streptomyces Coelicolor DSM 40233	n/a	n/a
Bacteria	Streptomyces Diastatochromogenes ETH 18822	n/a	n/a
Bacteria	Streptomyces Diastatochromogenes IFO 13814	n/a	n/a
Bacteria	Streptomyces Griseus ATCC 23345	n/a	n/a
Bacteria	Streptomyces Griseus IFO 13849	n/a	n/a
Bacteria	Streptomyces Hirsutus ATCC 19773	n/a	n/a
Bacteria	Streptomyces Hirsutus ETH 1666	n/a	n/a
Bacteria	Streptomyces Hygroscopicus ATCC 27438	n/a	n/a
Bacteria	Streptomyces Hygroscopicus IFO 13255	n/a	n/a
Bacteria	Streptomyces Murinus DSM 40091	n/a	n/a
Bacteria	Streptomyces Murinus NRRL 8171	n/a	n/a
Bacteria	Streptomyces Olivaceus ETH 6445	n/a	n/a
Bacteria	Streptomyces Olivaceus ETH 7437	n/a	n/a
Bacteria	Streptomyces Rishiriensis AMI 224	n/a	n/a
Bacteria	Streptomyces Spp. AMI 240	n/a	n/a
Bacteria	Streptomyces Spp. AMI 243	n/a	n/a
Bacteria	Streptomyces Thermoviolaceus CBS 111.62	n/a	n/a
Bacteria	Thermoactinomyces Vulgaris DSM 43016	Nutrient agar CM3	GC/MS
Fungi	Candida Tropicalis	n/a	n/a
Fungi	Ceratocystis Sp.	n/a	n/a
Fungi	Penicillium Commune Pitt	DG18	GC/MS
Fungi	Phialophora Fastigiata Conant	DG18	GC/MS
Fungi	Thielaviopsis Basicola	n/a	n/a
Fungi	Trichoderma Sp.	n/a	n/a
Fungi	Trichoderma Viride	Malt extract agar	Headspace volatiles collected with colomn/TD-GC-MS	Yes
Fungi	Tuber Simonea	None	Pressure balanced head-space sampling and GC/TOF-MS	No
Fungi	Tuber Aestivum	n/a	Pressure balanced head-space sampling and GC/TOF-MS
Fungi	Tuber Brumale	n/a	Pressure balanced head-space sampling and GC/TOF-MS
Fungi	Tuber Melanosporum	n/a	Pressure balanced head-space sampling and GC/TOF-MS
Fungi	Tuber Mesentericum	n/a	Pressure balanced head-space sampling and GC/TOF-MS
Fungi	Tuber Miesentericum	None	Pressure balanced head-space sampling and GC/TOF-MS	No
Fungi	Tuber Rufum	n/a	Pressure balanced head-space sampling and GC/TOF-MS
Fungi	Tuber Simonea	n/a	Pressure balanced head-space sampling and GC/TOF-MS
Fungi	Penicillium Camemberti			no
Fungi	Penicillium Caseifulvum			no
Bacteria	Bacillus Simplex	n/a	n/a
Bacteria	Bacillus Subtilis	n/a	n/a
Bacteria	Bacillus Weihenstephanensis	n/a	n/a
Bacteria	Microbacterium Oxydans	n/a	n/a
Bacteria	Serratia Marcescens	n/a	n/a
Bacteria	Staphylococcus Sciuri	863 liquid medium	SPME-GC/MS
Bacteria	Stenotrophomonas Maltophilia	n/a	n/a
Bacteria	Streptomyces Lateritius	n/a	n/a
Fungi	Tuber Aestivum	n/a	microextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)
Fungi	Tuber Oligospermum	n/a	microextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)

Butane-2,3-diol

Mass-Spectra

Compound Details

Synonymous names

Dimethylethylene glycol

Pseudobutylene glycol

Sym-dimethylethylene glycol

OWBTYPJTUOEWEK-UHFFFAOYSA-N

Dimethylene glycol

AC1Q2BQD

AC1L18UG

2,3-Dihydroxybutane

ACMC-1BUD7

KSC270E6J

ACMC-209euy

2,3-butanodiol

2,3-butanediol

7110AF

HMDB03156

2,3-Butandiol

B0681

CTK1H0264

ACMC-209gb6

2,3-butylene glycol

2,3-dihydroxy butane

2,3-dihydroxy-butane

RL03891

DL-2,3-Butanediol

A18844

CCRIS 5501

HSDB 1505

D-2,3-BUTANEDIOL

CHEMBL2312529

Butane-2,3-diol

OR035318

OR332866

OR094911

DL-2,3-BUTANDIOL

DTXSID8041321

2,3- butanediol

NSC249246

2,3-butane diol

Butan-2,3-diol

CHEBI:62064

SC-81338

LS-45795

levo-butane-2,3-diol

KB-67232

SC-08971

SC-08972

DSSTox_GSID_41321

ANW-41590

AN-23501

MFCD00004523

DSSTox_CID_21321

DSSTox_RID_79687

2D-PHARMALYTE (9CI)

TR-032024

NSC-249246

D-2,3-Butane diol

RTR-032024

DB-027533

AKOS009031391

FT-0696715

BRN 0969165

I14-19052

Z966690926

2,3-Butanediol (DL)

PROPOXY, 2-HYDROXY-1-METHYL-

Tox21_300789

2,3-Butanediol, 98%

2,3-BUTANEDIOL, 96%

513-85-9

NCGC00248169-01

NCGC00254693-01

CAS-513-85-9

EINECS 208-173-6

2,3-Butanediol, analytical standard, mixture of racemic and meso forms

35007-63-7

98923-25-2

123513-85-9

MolPort-003-927-421

2,3-Butanediol, Vetec(TM) reagent grade, 98%

4-01-00-02524 (Beilstein Handbook Reference)

2,3-Butanediol, [R-(R*,R*)]-

2,3-Butanediol, purum, mixture of racemic and meso forms, >=98.0% (GC)

2,3-Butanediol, puriss., mixture of racemic and meso forms, >=99.0% (GC)

2,3-Butanediol, (R*,R*)-(.+/-.)-

InChI=1/C4H10O2/c1-3(5)4(2)6/h3-6H,1-2H

IUPAC name

butane-2,3-diol

SMILES

CC(C(C)O)O

Inchi

InChI=1S/C4H10O2/c1-3(5)4(2)6/h3-6H,1-2H3

Formula

C₄H₁₀O₂

PubChem ID

262

Molweight

90.122

LogP

-0.38

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

Alcohols

mVOC Specific Details

Boiling Point

Degree	Reference
182 deg C at 1 atm	Riddick, J.A., W.B. Bunger, Sakano T.K. Techniques of Chemistry 4th ed., Volume II. Organic Solvents. New York, NY: John Wiley and Sons., 1985., p. 270

Volatilization

The Henry's Law constant for 2,3-butanediol is estimated as 2.9X10-8 atm-cu m/mole(SRC) derived from its vapor pressure, 0.24 mm Hg(1), and an assigned value for water solubility of 1.0X10+6 mg/L (miscible)(2). This Henry's Law constant indicates that 2,3-butanediol is expected to be essentially nonvolatile from water surfaces(3). 2,3-Butanediol is not expected to volatilize from dry soil surfaces(SRC) based upon its vapor pressure of 0.24 mm Hg(1).
Literature: (1) NIST; Chemistry WebBook. National Institute of Standards and Technology Standard Reference Database Number 69 - March 2003 Release, Available from the query page at http://webbook.nist.gov/chemistry as of Mar 3, 2005. (2) Riddick JA et al; Techniques of Chemistry. 4th ed. Vol II. Organic Solvents. NY, NY: John Wiley and Sons p. 270 (1985) (3) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990)

Soil Adsorption

The Koc of 2,3-butanediol is estimated as 7.5(SRC), using a log Kow of -0.92(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that 2,3-butanediol is expected to have very high mobility in soil.
Literature: (1) Hansch C et al; Exploring QSAR. Hydrophobic, Electronic, and Steric Constants. ACS Prof Ref Book. Heller SR, consult. ed., Washington, DC: Amer Chem Soc p. 10 (1995) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 4-9 (1990) (3) Swann RL et al; Res Rev 85: 17-28 (1983)

Vapor Pressure

Pressure	Reference
0.243 mm Hg at 25 deg C	NIST; Chemistry WebBook. National Institute of Standards and Technology Standard Reference Database Number 69 - March 2003 Release, Available from the query page at http://webbook.nist.gov/chemistry

MS-Links

MS-MS Spectrum 182253

MS-MS Spectrum 2205 - Quattro_QQQ 40V Positive delivery=Flow_Injection analyzer=Triple_Quad

MS-MS Spectrum 179921

MS-MS Spectrum 179920

MS-MS Spectrum 179919

MS-MS Spectrum 182254

MS-MS Spectrum 5848 - EI-B (HITACHI M-80B) Positive

MS-MS Spectrum 2204 - Quattro_QQQ 25V Positive delivery=Flow_Injection analyzer=Triple_Quad

MS-MS Spectrum 2203 - Quattro_QQQ 10V Positive delivery=Flow_Injection analyzer=Triple_Quad

MS-MS Spectrum 5849 - EI-B (HITACHI M-80A) Positive

MS-MS Spectrum 182255

1D-NMR-Links

1D NMR Spectrum 4591

1D NMR Spectrum 1932 - Varian 500 MHz 1H NMR

Microorganisms emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Bacteria	Bacillus Amyloliquefaciens IN937a	Induce growth promotion (leaf surface area), systemic resistance (ISR) and regulate auxin homeostasis in Arabidopsis thaliana.		Ryu et al., 2003
Bacteria	Bacillus Subtilis GB03	Induce growth promotion (leaf surface area), systemic resistance (ISR) and regulate auxin homeostasis in Arabidopsis thaliana.		Ryu et al., 2003
Bacteria	Azospirillum Brasilense Cd	promotion of performance of Chlorella sorokiniana Shih	culture collection DSMZ 1843	Amavizca et al. 2017
Bacteria	Bacillus Amyloliquefaciens IN937a	n/a		Lee et al., 2012
Bacteria	Bacillus Pumilus ES4	promotion of performance of Chlorella sorokiniana Shih		Amavizca et al. 2017
Bacteria	Bacillus Subtilis 168	triggers induced systemic resistance (ISR) in Arabidopsis	na	Ryu et al., 2004
Bacteria	Bacillus Subtilis GB03	n/a		Lee et al., 2012
Bacteria	Burkholderia Thailandensis LMG 20219	n/a		Blom et al., 2011
Bacteria	Chromobacterium Violaceum CV0	n/a		Blom et al., 2011
Bacteria	Clostridium Sp.	n/a		Stotzky and Schenk, 1976
Bacteria	Escherichia Coli DH5a	promotion of performance of Chlorella sorokiniana Shih		Amavizca et al. 2017
Bacteria	Paenibacillus Polymyxa E681	n/a		Lee et al., 2012
Bacteria	Serratia Proteamaculans B5a	n/a		Blom et al., 2011
Bacteria	Staphylococcus Saccharolyticus B5709		clinical isolate	Lemfack et al. 2016
Bacteria	Staphylococcus Warneri CCM 2730		clinical isolate,human skin	Lemfack et al. 2016
Bacteria	Stenotrophomonas Rhizophilla Ep10-p69	n/a		Blom et al., 2011
Fungi	Saccharomyces Cerevisiae		grape vine	Becher et al. 2012
Fungi	Tuber Aestivum	n/a	Fortywoodland of the Basilicata region	Mauriello et al., 2004
Fungi	Tuber Borchii	n/a		Splivallo et al., 2007
Fungi	Tuber Melanosporum	n/a		Splivallo et al., 2007
Fungi	Tuber Mesentericum	n/a	Fortywoodland of the Basilicata region	Mauriello et al., 2004
Fungi	Tuber			Splivllo et al. 2007
Bacteria	Streptomyces Spp.	n/a		Schulz and Dickschat, 2007

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Bacteria	Bacillus Amyloliquefaciens IN937a	n/a	n/a
Bacteria	Bacillus Subtilis GB03	n/a	n/a
Bacteria	Azospirillum Brasilense Cd	TSA	SPME-GC	no
Bacteria	Bacillus Amyloliquefaciens IN937a	Tryptic soy agar	SPME coupled with GC-MS
Bacteria	Bacillus Pumilus ES4	TSA	SPME-GC	no
Bacteria	Bacillus Subtilis 168	Murashige and Skoog medium	capillary GC;GC/MS	Yes
Bacteria	Bacillus Subtilis GB03	Tryptic soy agar	SPME coupled with GC-MS
Bacteria	Burkholderia Thailandensis LMG 20219	Angle	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria	Chromobacterium Violaceum CV0	MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria	Clostridium Sp.	n/a	n/a
Bacteria	Escherichia Coli DH5a	TSA	SPME-GC	no
Bacteria	Paenibacillus Polymyxa E681	Tryptic soy agar	SPME coupled with GC-MS
Bacteria	Serratia Proteamaculans B5a	MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria	Staphylococcus Saccharolyticus B5709	brain heart infusion medium	Porapak / GC/MS	no
Bacteria	Staphylococcus Warneri CCM 2730	brain heart infusion medium	Porapak / GC/MS	no
Bacteria	Stenotrophomonas Rhizophilla Ep10-p69	MS	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Fungi	Saccharomyces Cerevisiae	synthetic minimal medium	GC-MS, EI	yes
Fungi	Tuber Aestivum	n/a	microextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)
Fungi	Tuber Borchii	n/a	n/a
Fungi	Tuber Melanosporum	n/a	n/a
Fungi	Tuber Mesentericum	n/a	microextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)
Fungi	Tuber			no
Bacteria	Streptomyces Spp.	n/a	n/a

Butan-1-ol

Mass-Spectra

Compound Details

Synonymous names

Methylolpropane

Propylcarbinol

Propylmethanol

Butyralcohol

Hydroxybutane

Butalcohol

Tin tetrabutanolate

butaneol

Butanolen

Butanolo

Hemostyp

LRHPLDYGYMQRHN-UHFFFAOYSA-N

n-Butanolbutanolen

Alcool butylique

butanol

Butyl hydroxide

Butylic alcohol

Butylowy alkohol

Butyric alcohol

butyrol

Butyryl alcohol

Propyl carbinol

BuOH

Butyl alcohol

Butyl hydrate

n-butylalcohol

n-Butylalkohol

1-butylalcohol

1-hydroxybutane

4-hydroxybutyl

n-butanol

Normal primary butyl alcohol

1BO

n-BuOH

n-butyl alcohol

1 Butanol

1-butanol

butanol-1

Butyl Alcohol Reagent Grade ACS

Butyric or normal primary butyl alcohol

1-Butyl alcohol

AC1L18UJ

AC1Q2X7I

Butanolen [Dutch]

Butanolo [Italian]

BUTYL ALCOHOL, ACS

1-Butanol, analytical standard

1-Butanol, anhydrous

Alcool butylique [French]

Butanol [French]

Butylowy alkohol [Polish]

HSDB 48

n-C4H9OH

UNII-WB09NY83YA component LRHPLDYGYMQRHN-UHFFFAOYSA-N

1 -butanol

1- butanol

1-Butanol, Ultrapure, Spectrophotometric Grade

ACMC-209oic

Butan-1-ol

Butyl Alcohol (Fragrance Grade)

Butyl Alcohol (Industrial Grade)

Butyl alcohol (natural)

CHEMBL14245

8PJ61P6TS3

B0228

B0704

B0944

BDBM36173

CTK1C6146

HMDB04327

V0248

WLN: Q4

BIDD:ER0611

Butyl alcohol (NF)

CCS 203

DB02145

NSC62782

RP18337

1-Butanol, HPLC Grade

bmse000447

C06142

CCRIS 4321

D03200

LTBB002056

n-Butan-1-ol

RCRA waste number U031

UNII-8PJ61P6TS3

1-Butanol, for HPLC

1-Butanol, pharmaceutical secondary standard; traceability to USP

Butanol, 1-

DTXSID1021740

FEMA Number 2178

LP046272

LP106976

LS-1603

OR033990

OR236784

OR242424

OR261575

OR332997

STL264186

1-Butanol, for HPLC Solvent

BUTYL, 1-HYDROXY-

CHEBI:28885

DSSTox_CID_1740

ZINC1530354

AN-41948

ANW-36034

BP-30034

CJ-05197

CJ-23962

DSSTox_GSID_21740

KB-11821

Nat. Butanol (Butyl alcohol)

NSC 62782

NSC-62782

SC-25168

TRA0041832

1-Butanol, 99%

DSSTox_RID_76300

LMFA05000109

MFCD00002964

ZINC01530354

AI3-00405

RTR-023486

AKOS000249218

I14-2606

RCRA waste no. U031

ZINC100492542

ZINC103672412

1-Butanol, United States Pharmacopeia (USP) Reference Standard

FEMA No. 2178

FT-0607555

71-36-3

Z966690700

Tox21_111046

Tox21_200741

1-Butanol, 99.9%

1-Butanol, for molecular biology, >=99%

1-Butanol, LR, >=99%

3B1-003595

3B1-004538

3B1-006953

F0001-1830

NA 1120 (Related)

1-Butanol, spectrophotometric grade, 99.5%

Butyl alcohol, >=99.9%, FCC

CAS-71-36-3

5593-70-4

MCULE-1571156443

NCGC00090961-01

NCGC00090961-02

NCGC00090961-03

NCGC00258295-01

EINECS 200-751-6

EINECS 238-128-6

1-Butanol, anhydrous, 99.8%

35296-72-1

42031-19-6

409-EP2269993A1

409-EP2269994A1

409-EP2269995A1

409-EP2270000A1

409-EP2270012A1

409-EP2270013A1

409-EP2272516A2

409-EP2272832A1

409-EP2272846A1

409-EP2272849A1

409-EP2274983A1

409-EP2275409A1

409-EP2275413A1

409-EP2275422A1

409-EP2277858A1

409-EP2277866A1

409-EP2277868A1

409-EP2277869A1

409-EP2277870A1

409-EP2277875A2

409-EP2277880A1

409-EP2280005A1

409-EP2281812A1

409-EP2281818A1

409-EP2287154A1

409-EP2287156A1

409-EP2289871A1

409-EP2289880A1

409-EP2289884A1

409-EP2289897A1

409-EP2289965A1

409-EP2292592A1

409-EP2292608A1

409-EP2292610A1

409-EP2292624A1

409-EP2295412A1

409-EP2295413A1

409-EP2295418A1

409-EP2295424A1

409-EP2298076A1

409-EP2298077A1

409-EP2298313A1

409-EP2298738A1

409-EP2298746A1

409-EP2298747A1

409-EP2298760A1

409-EP2298769A1

409-EP2298777A2

409-EP2298828A1

409-EP2301353A1

409-EP2301627A1

409-EP2301928A1

409-EP2305031A1

409-EP2305034A1

409-EP2305035A1

409-EP2305219A1

409-EP2305625A1

409-EP2305642A2

409-EP2305655A2

409-EP2305667A2

409-EP2305680A2

409-EP2305681A1

409-EP2305685A1

409-EP2305686A1

409-EP2308510A1

409-EP2308839A1

409-EP2308849A1

409-EP2308850A1

409-EP2308857A1

409-EP2308858A1

409-EP2308866A1

409-EP2308867A2

409-EP2308869A1

409-EP2308878A2

409-EP2311801A1

409-EP2311802A1

409-EP2311803A1

409-EP2311807A1

409-EP2311815A1

409-EP2311816A1

409-EP2311817A1

409-EP2311824A1

409-EP2311838A1

409-EP2314558A1

409-EP2314576A1

409-EP2314591A1

409-EP2371797A1

409-EP2371798A1

409-EP2371811A2

409-EP2371814A1

409-EP2371823A1

409-EP2374538A1

409-EP2374791A1

409-EP2375479A1

409-EP2377510A1

1-Butanol, ACS reagent, >=99.4%

1-Butanol, AR, >=99.5%

107569-51-7

220713-25-7

1-Butanol, UV HPLC spectroscopic, 99.5%

7730-EP2269990A1

7730-EP2270008A1

7730-EP2272517A1

7730-EP2272813A2

7730-EP2275423A1

7730-EP2277866A1

7730-EP2277876A1

7730-EP2280014A2

7730-EP2281822A1

7730-EP2284159A1

7730-EP2284160A1

7730-EP2284165A1

7730-EP2284169A1

7730-EP2284172A1

7730-EP2284174A1

7730-EP2286811A1

7730-EP2287161A1

7730-EP2287162A1

7730-EP2287168A2

7730-EP2289509A2

7730-EP2289892A1

7730-EP2292613A1

7730-EP2292614A1

7730-EP2292616A1

7730-EP2292617A1

7730-EP2295413A1

7730-EP2295424A1

7730-EP2295426A1

7730-EP2295427A1

7730-EP2295428A2

7730-EP2295435A1

7730-EP2298731A1

7730-EP2298732A1

7730-EP2298769A1

7730-EP2298773A1

7730-EP2301913A1

7730-EP2301914A1

7730-EP2301928A1

7730-EP2301936A1

7730-EP2305033A1

7730-EP2305825A1

7730-EP2308510A1

7730-EP2308832A1

7730-EP2308857A1

7730-EP2308861A1

7730-EP2311796A1

7730-EP2311797A1

7730-EP2311798A1

7730-EP2311799A1

7730-EP2311801A1

7730-EP2311802A1

7730-EP2311803A1

7730-EP2311818A1

7730-EP2311821A1

7730-EP2311830A1

7730-EP2314577A1

7730-EP2314585A1

7730-EP2316826A1

7730-EP2371797A1

7730-EP2371798A1

7730-EP2371805A1

7730-EP2371814A1

7730-EP2374783A1

7730-EP2377841A1

7730-EP2380873A1

MolPort-000-872-034

1-Butanol, for HPLC, >=99.7%

1-Butanol, JIS special grade, >=99.0%

Butyl alcohol, >=99.9%, FCC, FG

1-Butanol, for HPLC, 99.8%

1-Butanol, SAJ first grade, >=99.0%

55814-EP2269986A1

55814-EP2269992A1

55814-EP2269995A1

55814-EP2270008A1

55814-EP2272517A1

55814-EP2272817A1

55814-EP2275411A2

55814-EP2275414A1

55814-EP2277880A1

55814-EP2280001A1

55814-EP2280002A1

55814-EP2281563A1

55814-EP2281821A1

55814-EP2287152A2

55814-EP2292610A1

55814-EP2292617A1

55814-EP2295411A1

55814-EP2295414A1

55814-EP2295438A1

55814-EP2298753A1

55814-EP2298763A1

55814-EP2298768A1

55814-EP2301919A1

55814-EP2301923A1

55814-EP2305625A1

55814-EP2305642A2

55814-EP2305667A2

55814-EP2305676A1

55814-EP2305687A1

55814-EP2308838A1

55814-EP2308864A1

55814-EP2308866A1

55814-EP2371811A2

55814-EP2374780A1

55814-EP2374781A1

55814-EP2380568A1

68993-EP2277848A1

68993-EP2295412A1

68993-EP2295413A1

68993-EP2308861A1

68993-EP2371797A1

68993-EP2371798A1

71511-EP2277876A1

71511-EP2287165A2

71511-EP2287166A2

71511-EP2292614A1

71511-EP2292620A2

71511-EP2308833A2

1-Butanol, ACS, 99.4+%

127573-EP2269996A1

127573-EP2270113A1

127573-EP2272935A1

127573-EP2274983A1

127573-EP2275411A2

127573-EP2295402A2

137926-EP2269986A1

137926-EP2287152A2

137926-EP2292088A1

Butyl alcohol, natural, >=99.5%, FCC, FG

1-Butanol, for HPLC, >=99.8% (GC)

1-Butanol, HPLC, 99.0% min. 1L

1-Butanol, p.a., ACS reagent, 99.4%

BDBC6468-886D-4F6C-8746-734F2B63E6CE

1-Butanol, puriss. p.a., ACS reagent, >=99.5% (GC)

InChI=1/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H

1-Butanol, ACS reagent, reag. ISO, reag. Ph. Eur., 99.5%

1-Butanol, puriss. p.a., ACS reagent, reag. ISO, reag. Ph. Eur., >=99.5% (GC)

IUPAC name

butan-1-ol

SMILES

CCCCO

Inchi

InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3

Formula

CH₃CH₂CH₂CH₂OH

PubChem ID

263

Molweight

74.123

LogP

0.81

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

Alcohols

mVOC Specific Details

Volatilization

The Henry's Law constant for n-butyl alcohol is 8.81X10-6 atm-cu m/mole at 25 deg C(1). This Henry's Law constant indicates that n-butanol is expected to volatilize from water surfaces(2). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec)(2) is estimated as 3.7 days(SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(2) is estimated as 29 days(SRC). n-Butyl alcohol's Henry's Law constant(1) indicates that volatilization from moist soil surfaces may occur(SRC). n-Butyl alcohol is expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 7 mm Hg(3).
Literature: (1) Buttery RG et al; J Agric Food Chem 17: 385-89 (1969) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (3) Daubert TE, Danner RP; Physical and Thermodynamic Properties of Pure Chemicals Data Compilation Washington, DC: Taylor and Francis (1989)

Soil Adsorption

The measured Koc of n-butyl alcohol is reported as 3.2(1). According to a classification scheme(2), this Koc value suggests that n-butyl alcohol is expected to have very high mobility in soil(SRC).
Literature: (1) Schuurmann G et al; Environ Sci Technol 40: 7005-7001 (2006). Supporting information available, as of June 9, 2014: http://pubs.acs.org/doi/suppl/10.1021/es060152f/suppl_file/es060152fsi20060905_091308.pdf (2) Swann RL et al; Res Rev 85: 17-28 (1983)

Vapor Pressure

Pressure	Reference
7.0 mm Hg at 25 deg C	Daubert, T.E., R.P. Danner. Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, D.C.: Taylor and Francis, 1989.

MS-Links

MS-MS Spectrum 20950

MS-MS Spectrum 22288

MS-MS Spectrum 6428 - EI-B (HITACHI M-80B) Positive

MS-MS Spectrum 22499

MS-MS Spectrum 20736

MS-MS Spectrum 6427 - EI-B (HITACHI RMU-7M) Positive

MS-MS Spectrum 6426 - EI-B (HITACHI RMU-6M) Positive

1D-NMR-Links

1D NMR Spectrum 1997 - Bruker 600 MHz 1H NMR

1D NMR Spectrum 5023

1D NMR Spectrum 5024

Microorganisms emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Bacteria	Bacillus Amyloliquefaciens IN937a	n/a		Lee et al., 2012
Bacteria	Bacillus Pumilus 43P2BR		Lobaria pulmonaria lichen thalli, Austria	Cernava et al. 2015
Bacteria	Bacillus Subtilis GB03	n/a		Lee et al., 2012
Bacteria	Escherichia Coli	n/a		Bunge et al., 2008
Bacteria	Klebsiella Pneumoniae ATCC 13883			Rees et al. 2017
Bacteria	Leuconostoc Citreum CIRM1455	na	goat cheese whey	PogaÄiÄ‡ et al., 2016
Bacteria	Paenibacillus Polymyxa E681	n/a		Lee et al., 2012
Bacteria	Paenibacillus Polymyxa Sb3-1		collection TU Graz	Rybakova et al. 2017
Bacteria	Ralstonia Solanacearum	na	na	Spraker et al., 2014
Bacteria	Salmonella Enterica	n/a		Bunge et al., 2008
Bacteria	Shigella Flexneri	n/a		Bunge et al., 2008
Bacteria	Staphylococcus Epidermidis		DSMZ	Verhulst et al. 2010
Bacteria	Streptomyces Albidoflavus AMI 246	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Albus IFO 13014	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Antibioticus ETH 22014	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Aureofaciens ETH 13387	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Coelicolor ATCC 21666	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Coelicolor DSM 40233	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Diastatochromogenes IFO 13814	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Griseus ATCC 23345	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Griseus IFO 13849	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Hirsutus ATCC 19773	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Hirsutus ETH 1666	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Hygroscopicus ATCC 27438	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Murinus DSM 40091	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Murinus NRRL 8171	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Olivaceus ETH 6445	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Olivaceus ETH 7437	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Rishiriensis AMI 224	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Spp. AMI 240	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Spp. AMI 243	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Thermoviolaceus CBS 111.62	n/a		Schoeller et al., 2002
Fungi	Ascocoryne Sp			Griffin et al. 2011
Fungi	Aspergillus Flavus	na	na	Spraker et al., 2014
Fungi	Candida Tropicalis	n/a		Bunge et al., 2008
Fungi	Fusarium Culmorum			Savelâ€™eva et al 2015
Fungi	Polysporus Sulfureus			Holighaus et al. 2014
Fungi	Saccharomyces Cerevisiae		grape vine	Becher et al. 2012
Fungi	Trichodema Pseudokoningii	n/a		Wheatley et al., 1997
Fungi	Trichodema Viride	n/a		Wheatley et al., 1997
Fungi	Trichoderma Viride			Hung et al., 2013
Fungi	Tuber Simonea	None	None	March et al., 2006
Fungi	Tuber Aestivum	n/a	Ayme Truffe of Grignan, 26230 France	March et al., 2006
Fungi	Tuber Brumale	n/a	Ayme Truffe of Grignan, 26230 France	March et al., 2006
Fungi	Tuber Melanosporum	n/a	Ayme Truffe of Grignan, 26230 France	March et al., 2006
Fungi	Tuber Mesentericum	n/a	Ayme Truffe of Grignan, 26230 France	March et al., 2006
Fungi	Tuber Miesentericum	None	None	March et al., 2006
Fungi	Tuber Rufum	n/a	Ayme Truffe of Grignan, 26230 France	March et al., 2006
Fungi	Tuber Simonea	n/a	Ayme Truffe of Grignan, 26230 France	March et al., 2006
Fungi	Verticillium Longisporum		collection TU Graz	Rybakova et al. 2017
Fungi	Trichoderma Pseudokoningii (T64)	n/a	not shown	Wheatley et al., 1997
Fungi	Pleurotus Eryngii Var. Tuoliensis	na	na	Usami et al., 2014
Bacteria	Pseudomonas Chlororaphis 449	na	Rhizosphere of maize, Kiev region, Ukraine	Popova et al., 2014

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Bacteria	Bacillus Amyloliquefaciens IN937a	Tryptic soy agar	SPME coupled with GC-MS
Bacteria	Bacillus Pumilus 43P2BR	R2A	GC/MS SPME
Bacteria	Bacillus Subtilis GB03	Tryptic soy agar	SPME coupled with GC-MS
Bacteria	Escherichia Coli	n/a	n/a
Bacteria	Klebsiella Pneumoniae ATCC 13883	LB	SPME / GCxGC-TOFMS	no
Bacteria	Leuconostoc Citreum CIRM1455	curd-based broth medium	GC/MS	Yes
Bacteria	Paenibacillus Polymyxa E681	Tryptic soy agar	SPME coupled with GC-MS
Bacteria	Paenibacillus Polymyxa Sb3-1		GC-MS / SPME	no
Bacteria	Ralstonia Solanacearum	Casamino Acid Peptone Glucose agar	SPME-GC/MS	No
Bacteria	Salmonella Enterica	n/a	n/a
Bacteria	Shigella Flexneri	n/a	n/a
Bacteria	Staphylococcus Epidermidis	CLSA, charcoal, GC-MS		no
Bacteria	Streptomyces Albidoflavus AMI 246	n/a	n/a
Bacteria	Streptomyces Albus IFO 13014	n/a	n/a
Bacteria	Streptomyces Antibioticus ETH 22014	n/a	n/a
Bacteria	Streptomyces Aureofaciens ETH 13387	n/a	n/a
Bacteria	Streptomyces Coelicolor ATCC 21666	n/a	n/a
Bacteria	Streptomyces Coelicolor DSM 40233	n/a	n/a
Bacteria	Streptomyces Diastatochromogenes IFO 13814	n/a	n/a
Bacteria	Streptomyces Griseus ATCC 23345	n/a	n/a
Bacteria	Streptomyces Griseus IFO 13849	n/a	n/a
Bacteria	Streptomyces Hirsutus ATCC 19773	n/a	n/a
Bacteria	Streptomyces Hirsutus ETH 1666	n/a	n/a
Bacteria	Streptomyces Hygroscopicus ATCC 27438	n/a	n/a
Bacteria	Streptomyces Murinus DSM 40091	n/a	n/a
Bacteria	Streptomyces Murinus NRRL 8171	n/a	n/a
Bacteria	Streptomyces Olivaceus ETH 6445	n/a	n/a
Bacteria	Streptomyces Olivaceus ETH 7437	n/a	n/a
Bacteria	Streptomyces Rishiriensis AMI 224	n/a	n/a
Bacteria	Streptomyces Spp. AMI 240	n/a	n/a
Bacteria	Streptomyces Spp. AMI 243	n/a	n/a
Bacteria	Streptomyces Thermoviolaceus CBS 111.62	n/a	n/a
Fungi	Ascocoryne Sp			no
Fungi	Aspergillus Flavus	glucose minimal medium	SPME-GC/MS	No
Fungi	Candida Tropicalis	n/a	n/a
Fungi	Fusarium Culmorum			no
Fungi	Polysporus Sulfureus			no
Fungi	Saccharomyces Cerevisiae	synthetic minimal medium	GC-MS, EI	yes
Fungi	Trichodema Pseudokoningii	Low medium	GC/MS
Fungi	Trichodema Viride	Low medium	GC/MS
Fungi	Trichoderma Viride	Malt extract agar	Headspace volatiles collected with colomn/TD-GC-MS	Yes
Fungi	Tuber Simonea	None	Pressure balanced head-space sampling and GC/TOF-MS	No
Fungi	Tuber Aestivum	n/a	Pressure balanced head-space sampling and GC/TOF-MS
Fungi	Tuber Brumale	n/a	Pressure balanced head-space sampling and GC/TOF-MS
Fungi	Tuber Melanosporum	n/a	Pressure balanced head-space sampling and GC/TOF-MS
Fungi	Tuber Mesentericum	n/a	Pressure balanced head-space sampling and GC/TOF-MS
Fungi	Tuber Miesentericum	None	Pressure balanced head-space sampling and GC/TOF-MS	No
Fungi	Tuber Rufum	n/a	Pressure balanced head-space sampling and GC/TOF-MS
Fungi	Tuber Simonea	n/a	Pressure balanced head-space sampling and GC/TOF-MS
Fungi	Verticillium Longisporum	potato dextrose agar (PDA), Czapek Dox liquid culture	GC-MS / SPME	no
Fungi	Trichoderma Pseudokoningii (T64)	minimal agar	VOCS were analysed by Integrated Automated Thermal Desorbtion-GC-MS. The isolates were grown on a minimal agar medium with the carbon:nitrogen levels similar to that found in Scots pine wood. Covered cultures were incubated at 25Â°C for 48h.
Fungi	Pleurotus Eryngii Var. Tuoliensis	na	GC/MS, GC-O, AEDA	No
Bacteria	Pseudomonas Chlororaphis 449	LB medium	SPME-GC/MS	No

Butane-2,3-dione

Mass-Spectra

Compound Details

Synonymous names

dimethylglyoxal

Butanedione

biacetyl

diacetyl

dimethyl diketone

QSJXEFYPDANLFS-UHFFFAOYSA-N

Dimethyl glyoxal

Biacetyl; BDM

AC1L19PK

ACMC-1AE2K

Diacetyl (natural)

Glyoxal, dimethyl-

2,3-diketobutane

KSC235Q7P

R557

2,3 butandione

2,3-butandione

2,3-butanedione

2,3-dioxobutane

2.3-butanedione

NSC8750

UN2346

2,3-Butadione

B0682

BDBM22725

CCRIS 827

CTK1D5877

HMDB03407

HSDB 297

K324J5K4HM

SGCUT00113

CHEMBL365809

LP00387

LS-116

RP18441

(CH3CO)2

2,3-Butanedione, analytical standard

C00741

HMS3261M15

UNII-K324J5K4HM

WLN: 1VV1

AN-1414

BBL027725

Butan-2,3-dione

Butane-2,3-dione

Diacetyl, natural, >=95%

DTXSID6021583

NSC 8750

NSC-8750

OR000189

OR109765

OR306804

A826155

Buta-2,3-dione

CHEBI:16583

D 3634

DSSTox_CID_1583

ZINC1532732

ANW-41516

DSSTox_GSID_21583

KB-16658

Lopac-D-3634

BB_SC-8804

Butanedione [UN2346]

DSSTox_RID_76219

LMFA12000012

MFCD00008756

ZINC01532732

AI3-03313

CCG-204481

DB-003226

RTR-016761

to_000005

TR-016761

AKOS000118816

I14-1154

Lopac0_000387

BRN 0605398

EU-0100387

FEMA No. 2370

FT-0609502

FT-0624585

FT-0663924

2,3-Butanedione, 97%

Tox21_201218

Tox21_500387

431-03-8

F0001-1188

Butanedione [UN2346] [Flammable liquid]

MCULE-5742661187

NCGC00015336-01

NCGC00015336-02

NCGC00015336-03

NCGC00015336-04

NCGC00015336-05

NCGC00015336-06

NCGC00090746-01

NCGC00090746-02

NCGC00090746-03

NCGC00258770-01

NCGC00261072-01

CAS-431-03-8

EINECS 207-069-8

2,3-Butanedione (8CI,9CI)

151677-70-2

Butanedione [UN2346] [Flammable liquid]

MolPort-001-768-865

57419-EP2275409A1

57419-EP2275422A1

57419-EP2289483A1

57419-EP2298755A1

57419-EP2308878A2

157009-EP2283898A1

4-01-00-03644 (Beilstein Handbook Reference)

DEE64962-0BD5-454C-8BDA-FDBD33C47181

InChI=1/C4H6O2/c1-3(5)4(2)6/h1-2H

IUPAC name

butane-2,3-dione

SMILES

CC(=O)C(=O)C

Inchi

InChI=1S/C4H6O2/c1-3(5)4(2)6/h1-2H3

Formula

C₄H₆O₂

PubChem ID

650

Molweight

86.09

LogP

0.4

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

Ketones

mVOC Specific Details

Volatilization

The Henry's Law constant for diacetyl is 1.33X10-5 atm-cu m/mole(1). This Henry's Law constant indicates that diacetyl is expected to volatilize from water surfaces(2). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec)(2) is estimated as 2.7 days(SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(2) is estimated as 22 days(SRC). Diacetyl's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). Diacetyl is expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 56.8 mm Hg(3).
Literature: (1) Betterton EA; Atmos Environ 25A:1473-7 (1991) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (3) Boublik T et al; The vapor pressures of pure substances. Vol. 17. Amsterdam, Netherlands: Elsevier Sci. Publ (1984)

Soil Adsorption

The Koc of diacetyl is estimated as 1(SRC), using a log Kow of -1.34(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that diacetyl is expected to have very mobility in soil.
Literature: (1) Hansch C et al; Exploring QSAR. Hydrophobic, Electronic, and Steric Constants. ACS Prof Ref Book. Heller SR, consult. ed., Washington, DC: Amer Chem Soc p. 9 (1995) (2) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.1. Nov, 2012. Available from, as of May 31, 2016: http://www2.epa.gov/tsca-screening-tools (3) Swann RL et al; Res Rev 85: 17-28 (1983)

Vapor Pressure

Pressure	Reference
56.8 mm Hg at 25 deg C	Boublik, T., Fried, V., and Hala, E., The Vapour Pressures of Pure Substances. Second Revised Edition. Amsterdam: Elsevier, 1984.

MS-Links

MS-MS Spectrum 20763

MS-MS Spectrum 22313

MS-MS Spectrum 22579

MS-MS Spectrum 2287 - Quattro_QQQ 25V Positive delivery=Flow_Injection analyzer=Triple_Quad

MS-MS Spectrum 2288 - Quattro_QQQ 40V Positive delivery=Flow_Injection analyzer=Triple_Quad

MS-MS Spectrum 2286 - Quattro_QQQ 10V Positive delivery=Flow_Injection analyzer=Triple_Quad

MS-MS Spectrum 5923 - EI-B (HITACHI M-80B) Positive

MS-MS Spectrum 5924 - EI-B (HITACHI RMU-7M) Positive

1D-NMR-Links

1D NMR Spectrum 2384 - JEOL 300 MHz 1H NMR

1D NMR Spectrum 3078 - JEOL 22.53 MHz 13C NMR

Microorganisms emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Bacteria	Staphylococcus Epidermidis		DSMZ	Verhulst et al. 2010
Bacteria	Coagulase-negative Staphylococci	n/a		Hettinga et al., 2008
Bacteria	Escherichia Coli		National collection of type cultures (NCTC) UK	Tait et al., 2014
Bacteria	Staphylococcus Aureus		National collection of type cultures (NCTC) UK	Tait et al., 2014
Bacteria	Streptococcus Dysgalactiae	n/a		Hettinga et al., 2008
Bacteria	Streptococcus Uberis	n/a		Hettinga et al., 2008
Bacteria	Klebsiella Pneumoniae ATCC 13883			Rees et al. 2016
Bacteria	Bacillus Amyloliquefaciens IN937a	n/a		Lee et al., 2012
Bacteria	Bacillus Amyloliquefaciens UCMB5113	na	na	Asari et al., 2016
Bacteria	Bacillus Subtilis GB03	n/a		Lee et al., 2012
Bacteria	Escherichia Coli	n/a		Hettinga et al., 2008
Bacteria	Klebsiella Pneumoniae ATCC 13883			Rees et al. 2017
Bacteria	Lactobacillus Rhamnosus LSL 222	can be used to modify or intensify the flavour of industrial cheeses or fermented milks or to preserve the peculiar flavour of traditional dairy products		PogaÄiÄ‡ et al., 2015
Bacteria	Paenibacillus Polymyxa E681	n/a		Lee et al., 2012
Bacteria	Paenibacillus Polymyxa Sb3-1		collection TU Graz	Rybakova et al. 2017
Bacteria	Staphylococcus Aureus	n/a		Hettinga et al., 2008
Bacteria	Staphylococcus Sciuri	na	from the gut flora of pea aphid Acyrthosiphon pisum honeydew	Leroy et al., 2011
Fungi	Tuber Aestivum	n/a	T. melanosporum was from the cultivated truffle zones in the province and T. aestivum from the natural truffle zones in the same region	Cullere et al., 2010
Fungi	Tuber Melanosporum	n/a	T. melanosporum was from the cultivated truffle zones in the province and T. aestivum from the natural truffle zones in the same region	Cullere et al., 2010
Bacteria	Lactobacillus Rhamnosus LSL 222	na	na	PogaÄiÄ‡ et al., 2016
Fungi	Tuber Borchii	Aroma active compound in Tuber melanosporum and Tuber aestivum syn Tuber uncinatum	na	Splivallo and Ebeler 2015
Bacteria	Staphylococcus Sp.	n/a		Schulz and Dickschat, 2007

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Bacteria	Staphylococcus Epidermidis	CLSA, charcoal, GC-MS		no
Bacteria	Coagulase-negative Staphylococci	Milk	HS-SPME/GC-MS
Bacteria	Escherichia Coli	milk samples	GC-MS(BPX-5)	no
Bacteria	Staphylococcus Aureus	milk samples	GC-MS(BPX-5)	no
Bacteria	Streptococcus Dysgalactiae	Milk	HS-SPME/GC-MS
Bacteria	Streptococcus Uberis	Milk	HS-SPME/GC-MS
Bacteria	Klebsiella Pneumoniae ATCC 13883	LB	GCxGC-TOF-MS	no
Bacteria	Bacillus Amyloliquefaciens IN937a	Tryptic soy agar	SPME coupled with GC-MS
Bacteria	Bacillus Amyloliquefaciens UCMB5113	M9A	GC/MS	No
Bacteria	Bacillus Subtilis GB03	Tryptic soy agar	SPME coupled with GC-MS
Bacteria	Escherichia Coli	Milk	HS-SPME/GC-MS
Bacteria	Klebsiella Pneumoniae ATCC 13883	LB	SPME / GCxGC-TOFMS	no
Bacteria	Lactobacillus Rhamnosus LSL 222	Man Rogosa Sharpe broth (MRS)	Tenaxâ„¢-trap/GC-MS
Bacteria	Paenibacillus Polymyxa E681	Tryptic soy agar	SPME coupled with GC-MS
Bacteria	Paenibacillus Polymyxa Sb3-1		GC-MS / SPME	no
Bacteria	Staphylococcus Aureus	Milk	HS-SPME/GC-MS
Bacteria	Staphylococcus Sciuri	864 liquid medium	SPME-GC/MS
Fungi	Tuber Aestivum	n/a	Gas chromatography-olfactometry (GC-O)
Fungi	Tuber Melanosporum	n/a	Gas chromatography-olfactometry (GC-O)
Bacteria	Lactobacillus Rhamnosus LSL 222	curd-based broth medium	GC/MS	Yes
Fungi	Tuber Borchii	na	SPME-GC/MS/O); GC-R	Yes
Bacteria	Staphylococcus Sp.	n/a	n/a

Ethanol

Mass-Spectra

Compound Details

Synonymous names

Altitudemedical Hand Antibacterial

Antibacterial Sanitizer

Careone Antibacterial Sanitizer Limoncello

Germstarcitrus

Methylcarbinol

Aethylalkohol

Antibacterial Hand Gingerbread

Antibacterial Hand Sanitizer Sunblossom

Boolicious Antibacterial Hand Sanitizer

Careone Antibacterial Sanitizer Gingerbread House

Careone Antibacterial Sanitizer Peppermint Candy

Ethylalcohol

Germstarnoro

Germstarnoro Unscented

Hand Sanitizer Passionfruit Pomegranate

Humphreys Alcoholado Maravilla

Hydroxyethane

Industrial Antiseptic Sanitizer

Jurlique Moisturizing Hand Sanitizer Natural Antibacterial

Marshmallow Antibacterial Hand

Pretty Peppermint Antibacterial

Sekundasprit

Strawberry Antibacterial Hand Sanitizer

Actiprep Preoperative Skin Preparation

Antibacterial Hand Sanitizer

Antibacterial Hand Sanitizer Pamegranate Apple

Antibacterial Hand Towelettes

Antibactierial Hand Sanitizer

Antimicrobial Hand Sanitizer

Aprilguard Antiseptic Handrub

Boolicious Antibacterial Hand

Cucumber Melon Antibacterial Sanitizer

Dial Professional Antibacterial Hand Sanitizer

Ethanolum anhydricum

Fermentation alcohol

Gingerbread

Hamamelis virginiana

Hinetoless

Holiday Cookie Antibacterial

Instafresh

Lalaloopsy Watermelon Antiseptic Hand Cleansing

Lavender Antibacterial Hand Sanitizer

Mandarin Antibacterial Hand Sanitizer

Marshmallow

Methylated Spirit Mineralised

Oxydimethylene Group

Raspberry Guava Antibacterial

Safesha Unfragranced

Spatheraphy

Spatherapy Grapefruit Nectar

Spatherapy Lemon Pomegranate

Triseptin Waterless

undenatured Ethanol

Advanced

Aethanol

Alcohol anhydrous

Alcohol dehydrated

Alcohols

Alkoholu etylowego

Almond Antibacterial Hand Sanitizer

Anhydrol

Anhydrous alcohol

Anhydrous ethanol

Antiacterial Hand Sanitizer

Blackberry Vanilla Hand Sanitizer Bodycology

Body Luxuries Strawberry Shortcake Antibacterial Hand Sanitizer

Bodycology Moisturizing Hand Sanitizer Cherry Blossom

Bodycology Moisturizing Hand Sanitizer Cucumber Melon

Bodycology Moisturizing Hand Sanitizer Midnight Garden

Bodycology Vanilla Cupcake

Careone Antibacterial Hand Sanitizer Mistletoe Kisses

Careone Antibacterial Hand Sanitizer Seasons Greetings

Clorox Antimicrobial Hand Sanitizer

Coconut Antibacterial Hand Sanitizer

Coconut Lime Antibacterial Sanitizer

Colemanhand Sanitizer Hand Sanitizer

Cranberry Vanilla Scented Antibacterial Hand Sanitizer

Decolorized Iodine

Dehydrated alcohol

Dehydrated ethanol

Denatured alcohol

Denatured ethanol

Distilled spirits

Egyptian Cotton Antibacterial Hand Sanitizer

Ethanol Anhydrous

Ethanol vergaellt

Foamahol

Hand Sanitizing Strawberry

Handful Sanitizer

Hanitizer

HYDROXYETHYL GROUP

Infectiguard Hand Sanitizer

Justice Watermelon Scent Antibacterial Hand Sanitizer

LFQSCWFLJHTTHZ-UHFFFAOYSA-N

Lollipop

Medisoft

Methylated spirit

Microban

Microban Unscented

Moisturizing Hand Sanitizer

Moisturizing Instant Hand Sanitizer

Naturals Vanilla Antibacterial Hand

Peppermint Swirl Antibacterial Hand Sanitizer

Pineapple Paradise

Pink Grapefruit Antibacterial Hand Sanitizer

POLYETHYLENGLYCOL11

Proandre

Purell Advanced Refreshing

Purell Alcohol Formulation

Sanifoam

Sanitaxe

Sanitizer

Satsuma Antibacterial Hand Sanitizer

Shopko Antibacterial Hand Sanitizer

Smartcare Shopkins

Spatherapy Eucalyptus Mint

Spatherapy Lavender Jasmine

Spatherapy Raspberry Brulee

Sterillium Comfort

Strawberry Champagne Hand Sanitizer

Swirling Lollipop

Twisted Peppermint

Unscented

Vanilla Cupcake Antibacterial Hand Sanitizer

Very Vanilla Antibacterial

Xtracare Lavender Chamomile

Zylast Antiseptic

absolute alcohol

Absolute ethanol

Aftermath Hand Sanitizer

alcohol

alcohol etilico

Alcool ethylique

Algrain

Alkohol

Antibacterial Hand Cranberry Spice

Antibacterial Hand Sanitizer Citrus Coconut

Antibacterial Hand Sanitizer Passion Flower

Antibacterial Hand Sanitizer Pocket Sprayer

Antibacterial Hand Sanitizer Spray

Antiseptic Hand Sanitizer

Assured Instant

Aurora Antibacterial Sanitizer Summer Cotton Breeze

Beautos Antibacterial Hand Sanitizer Lemon

Bodycology Moisturizing Hand Sanitizer Sweet Petals

Bodycology Moisturizing Hand Sanitzer White Gardenia

Branders Antiseptic Hand Sanitizer

Cardinal Health Sanitizer

Careone

Careone Antibacterial Sanitizer Fresh Water

Celox Antiseptic

Charlie Girl Blueberry Antibacterial Hand Sanitizer

Charlie Girl Strawberry Antibacterial Hand Sanitizer

Claires

Claires Fancy Nancy Antibacterial Strawberry Parfait

Claree

Clinishield Instant Hand Sanitizer

Coconut Tuberose

Cologne spirits

Cranberry Hand Sanitizer

Creamsicle Hand Sanitizer

Cupcake

Daisy Blossom Antibacterial Hand Sanitizer

Deb Instantfoam Alcohol Sanitizer

Deb Instantfoam Complete

Dermagel Hand Sanitizing

Digisan

Digisan Healthcare Hand Sanitizer

diluted Alcohol

Drinking alcohol

Elyptol Antimicrobial Rub

Enchanted Forest Hand Sanitizer Bodycology

Envirokleen Instant Hand Sanitizer

etanol

Etanolo

ethanol

Ethanol Absolute

Ethanol solution

Ethicap

Ethyl hydroxide

Ethylic alcohol

Ethylol

Etylowy alkohol

Facilipro Hand Sanitizer

Fengliaoxing Fengshi Dieda Yaojiu

Freshorize Hand Sanitizer

Hand Sanitizer Anticeptic

Hand Sanitizer Bodycology

Hand Sanitizer Ultrathon

Hand Sanitizing Blueberry

Hand Sanitizing Lavender

Hand Sanitizing Mandarin

Hand Sanitizing Unscented

Hannaford Hand Sanitizer

Hibiscus Breeze

Higher alcohol distillate

Honeysuckle Ginger Hand Sanitizer

Instant Hand Sanitizer Kickprints

Instantfoam Alcohol Hand Sanitizer

Iris Antimicrobial Hand Sanitizer

Jaysol

Kleenex Moisturizing Instant Hand Sanitizer

Mango Antibacterial Hand Sanitizer

Medichoice Hand Sanitizer

Megafresh Hand Sanitizer

Modesa

Molasses alcohol

Naturals Cucumber Melon Antibacterial Hand

Olive Antibacterial Hand Sanitizer

Orange Blossom Antibacterial Hand

Peppermint Hand Sanitizer

Pomegranate Scented Hand Sanitizer

Preference Hand Sanitizer

Prevail Hand Sanitizer Lemongrass

Prevail Pomegranate Hand Sanitizer

Prevent

Proformance Foam Alcohol Sanitizer

Pumpkin Spice Antibacterial Hand Sanitizer

Punctilious ethyl alcohol

QMHAIh@

Raspberry Hand Sanitizer

Reagent Alcohol

Recens

Regimen

Rubbing

Safeguard Hand Sanitizer

Safesha Lavender

Sanitizer Hand Sanitizer

Sassy Strawberry

Sea Marine Antibacterial

Skintegrity Instant Hand Sanitizer

Softsan

Spirit

Spooky Pumpkin Antibacterial Hand Sanitizer

Spooky Vanilla Antibacterial Hand

Spooky Vanilla Antibacterial Hand Sanitizer

Strawberry Hand Sanitizer

Sunkissed Honeydew Hand Sanitizer

Sunmark Iodides Tincture

Synasol

Tecsol

Thanol

Topcare Apple Pomegranate

Trailways Hand Sanitizer

Unscented Hand Sanitizer

Vanilla Sugar Antibacterial Hand Sanitizer

Vindicator Instant Hand Sanitizer

Vinotinto Hand Sanitizer

Waterless Hand Sanitizer

Absolute ethyl alcohol

Actigel Hand Sanitizer

Advanced Hand Sanitizer

Alcare Foamed Antiseptic Handrub

Alcohol Wipes

Alcool etilico

Alcoscrub Foam

Alcoscrub Hand Cleaner

Anti-bacterial Hand Aromatherapy Stress Relief Eucalyptus Spearmint

Anti-bacterial Hand Sanitizer Eucalyptus Spearmint

Anti-bacterial Hand Sparkling Limoncello

Antibacterial Hand Arctic Blast

Antibacterial Hand Sanitizer Gel

Antibacterial Hand Sanitizer Pomegranate and Acai

Antibacterial Hand Sanitizer Sunflower and Citrus

Antimicrobial Alcohol Hand Wipes

Antimicrobial Hand Sanitizing Lotion Mango Scented

Antimicrobial Hand Wipe

Aogel

Assured Hand Sanitizer With Moisturizers

Aurora Antibacterial Sanitizer Sweet Lychee Berry

Azuro

Bactex Antiseptic Hand Sanitizer

Bella Maison Coconut Pineapple Antibacterial Hand Sanitizer

Bella Maison Tropical Vanilla Antibacterial Hand Sanitizer

Berkley Jensen Instant Sanitizer

Body Luxuries French Lavender Antibacterial Hand Sanitizer

Body Luxuries Tihitian Vanilla Antibacterial Hand Sanitizer

Body Luxuries Vanilla Frosting Antibacterial Hand Sanitizer

Bodycology Cherry Blossom Hand Sanitizer

Bodycology Cucumber Melon Hand Sanitizer

Bodycology Moisturizing Hand Sanitizer Brown Sugar Vanilla

Bodycology Sweet Petals

Care

Careone Antibacterial Hand Sanitizer Pumpkin Roll

Careone Antibacterial Sanitizer Pecan Pumpkin Pie

Careone Lemon

Cinnamon Sugar

Claires Fancy Nancy Antibacterial Glamourous Grape

Clear Defense

Clinishield Instant Hand Sanitizer Fragrance Free

Coconut Lime Antibacterial Hand Sanitizer

Cologne Spirit

Compact Hand Sanitizer

Cranberry Cake

Cvs Pharmacy Advanced Tangerine

Dawnmist Alcohol Hand Sanitizer

Defender Foaming Hand Sanitizer

Dermacen Instant Hand Sanitizer

Desinfektol EL

Desmanol Pure

Digisan Hand Sanitizer

Disney Princess Raspberry Scented Antiseptic Hand Cleansing

Dreumex Omnicare Hand Sanitizer

Dynarex Green

Enchanted Moments Mistletoe Kisses Hand Sanitizer

Ethanol Vapor

ethyl alcohol

Ethyl alcohol anhydrous

Ethyl alcohol,absolute

Ethyl hydrate

Ethyloxy Group

EtOH

Everyone Hand Sanitizer Peppermint Citrus

Fast

Floral Frenzy

Foaming Hand Sanitizer

Foaming Sanitizing Hand

Freeman Packaging Hand Sanitizer

Fresh Cucumber Melon Bodycology

Gbgf

Genuine Hand Sanitizer

Goongsecret Hands Clean

grain alcohol

Hand Sanitizer Orange Tangerine

Hand Sanitizer Prevail

Hand Sanitizer Spicy Peppermint

Hand Sanitizer Spraying

Hand Sanitizer With Moisturizers

Hawaiian Passion Hand Sanitizer

Healthcare Instant Hand Sanitizer Strawberry Scent

Hibiscus Coconut Hand Sanitizer

Hillyard Instant Hand Sanitizer

Hydrating Instant Hand Sanitizer

Icing

Infectiguard Fast Acting Antiseptic Hand Sanitizer

Infectiguard Fast Acting Antiseptic Hand Sanitizer With Moisturizer

Infinity Pure

Instant Hand Antiseptic

Instant Hand Sanitizer

Instant Hand Sanitizer Lavender

Instant Hand Sanitizer Original

Instant Hand Sanitizer Strawberry Scented

Instant Hand Sanitizer Twisted Peppermint

Instant Hand Sanitizer Unscented

Instant Hand Sanitizer With Moisturizers

Instant Hand Sanitizer With Moisturizers Unscented

Irresistible Apple Scented Hand Sanitizer

Jingle Berry Scented Antibacterial Hand Sanitizer

Kleenex Hand Sanitizer

Kleenex Ultra Moisturizing Hand Sanitizer

Knockout Hand Sanitizer

Lavender De Provence Antibacterial Hand Sanitizer

Lavender Hand Sanitizer

Lemon Thyme Antibacterial Hand Sanitizer

Letters Lavender Hand Sanitizer

Luscious Lime

Mandarin Orange and Lemon Antibacterial Sanitizer

Mckesson Hand Sanitizer

Modesa Antibacterial Hand Sanitizer Lemon

Mommy Tillia Antibacterial Hand

Naturals Pomegranate and Mango Antibacterial Hand

Novaclenz Instant Hand Sanitizer

Ocean Breeze Antibacterial Hand

Orange Spice Scented Antibacterial Hand Sanitizer

Organic Lavender Hand Sanitizer

Panrosa Instant Antiseptic Hand Sanitizer With Moisturizers

Papaya Mango Antibacterial Hand

Perfect Purity Advanced Hand Sanitizer Refreshing

Pomegranate Rose Hand Sanitizer

Potato alcohol

Premium Hand Sanitizer

Prevent Hand Sanitizer

Procure Hand Sanitizing

Purell Advanced Hand Sanitizer Refreshing Florals

Purell Advanced Hand Sanitizer Winterberry Delight

Purell Advanced Refreshing Aloe

Purell Personal Pack Sanitizing

Purell Waterless Surgical Scrub

Puritan Hand Sanitizer

Quality Choice Iodides Tincture

Raspberry Vanilla Scented Waterless Hand Sanitizer

Reagent Alcohol, spectrophotometric grade

Sani

Sanifoam Hand Sanitizer

Sanigizer Plus

Sanitizing Alcohol Rub

Scott Moisturizing Instant Hand Sanitizer

Septosan Hand Sanitizer

Shopkins Hand Sanitizer

Signature Alcohol Foaming Hand Sanitizer

silent spirit

Skintegrity Foaming Hand Sanitizer Fragrance Free

Softsoap Instant Hand Sanitizer With Moisturizers

spiritus vini

Spirt

Sterillium Med

Sterillium Rub

Sugar Cookies Scented Antibacterial Hand Sanitizer

Sugared Pear Antibacterial Hand Sanitizer

Sweet Daisy Antibacterial Hand Sanitizer

Sweet Lemon Antibacterial Hand Sanitizer

Swiss Hand Guard Antiseptic Handwash Antibacterial

Symmetry Foaming Hand Sanitizer

Symmetry Foaming Hand Sanitizer-unscented

Symmetry Hand Sanitizer

Sysco Reliance

Topcare Hand Sanitizer

Vanilla Bean Antibacterial Hand

Vanilla Bean Antibacterial Hand Sanitizer

Vanilla Hand Sanitizer

Vanilla Mint Antibacterial Hand Sanitizer

Vanilla Sugar Antibacterial Hand

Walgreens Instant Hand Sanitizer

Waterless Lavender Scented Hand Sanitizer

Winter Vanilla Hand Sanitizer Bodycology

Xtracare Cucumber Melon

Xtracare Instant Hand Sanitizer

Xtracare Instant Hand Sanitizer Original

Zep Professional Alcohol Hand Sanitizing

Zylast Antiseptic Surgical Scrub

Aidplus Alcohol Cleansing Pad

Aire-master

Alcare Hand Degermer

Alcohol Foaming Hand Sanitizer

Alcohol Swab

American Infection Control Antiseptic Body Wipes

American Infection Control Antiseptic Hand Wipes

Angel Foodcake Hand Sanitizer

Anti Bacterial Hand Sanitizer

Anti-bacterial Hand Copacabana Coconut

Anti-bacterial Hand Fresh Strawberries

Anti-bacterial Hand Marshmallow Mittens

Anti-bacterial Hand Sanitizer

Anti-bacterial Hand Sanitizer Fresh Strawberries

Anti-bacterial Hand Stache Pomegranate

Anti-bacterial Hand Twisted Peppermint

Anti-bacterial Hand Watermelon Lemonade

Antibacterial Hand Candy Cane

Antibacterial Hand Polar Mint

Antiseptic Hand Cleansing Gel

Aplicare Antiseptic Hand Rinse

Assured Aloe

Assured Instant Hand Sanitizer

Body Luxuries Moroccan Rose Antibacterial Hand Sanitizer

Body Luxuries Waterless Hand Sanitizer

Bodycology Sweet Petals Hand Sanitizer

Bortons Ethyl Rubbing Alcohol

Candy Apple

Careone Antibacterial Hand Sanitizer Winter Sky

Celox Ultra

Charlie Girl Grape Antibacterial Hand Sanitizer

Cherry Blossom Waterless Anti-antibateria Hand Sanitizer

Citrus Hand Sanitizer

Clara Instant Waterless Hand Sanitizer

Clario Instant Hand Sanitizer

Clean Choice Alcohol Sanitizer

Clean Hand Sanitizer

Clinical Works Lavender Blossom Waterless Hand Sanitizer

Clorox Hand Sanitizer

Coconut Vanilla Hand Sanitizer

Command Antibac Instant Hand Sanitizer

Cotton Blossom Waterless Anti-antibateria Hand Sanitizer

Cotton Candy

Cranberry Cherry Scented Hand Sanitizer

Cucumber Melon Hand Sanitizer

Deb Instantfoam Alcohol Hand Sanitizer

Elyptol Antimicrobial Hand Gel

EOH

EOX

Essence Of Beauty Japanese Garden Antibacterial

Ethanol, undenatured

Exotic Cherry Hand Sanitizer Bodycology

Facilipro Waterless Hand Rinse

fermentation alcohol

Frais Hand Sanitizer

Fresh Decor Citrus Pomegranate

Fresh Lavender Waterless Anti-antibateria Hand Sanitizer

Frosted Sugar Cookie

Gbg

Gbg Aloegel

Georgia-pacific Alcohol Hand Sanitizer

Gerigentle Hand Wipes

Germ Bullet

Gnp Iodides Tincture

Green Tea Antibacterial Hand Sanitizer

Hand Essentials Instant Hand Antiseptic

Hand Sanitizer Cranberry Tart

Hand Sanitizer Juicy Blueberry

Hand Sanitizer Pink Strawberry Lollipop

Hand Sanitizing Teachers Rule Mandarin

Hand Sanitizing Wipes

Handex Instant Hand Sanitizer

Hansan Foam

Hansan Spray

Healthcare Instant Hand Sanitizer Vanilla Scent

Hillyard Foaming Instant Hand Sanitizer

Icee Strawberry Scented Hand Sanitizer

Icing Winterberry Anti-bacterial Hand Sanitizer

Instant Foam

Instant Foaming Hand Sanitizer

Instant Hand Sanitizer and Moisterizer

Instant Hand Sanitizer Convenience Pack

Instant Hand Sanitizer Kuretek

Instant Hand Sanitizer Strawberry Kiss

Jelly Bean Antibacterial Hand

Keystone Liquid Hand Sanitizer

Kleenex Instant Hand Sanitizer

Landrum Instant Hand Sanitizer

Lemon Hand Sanitizer

Little Ones Lavender

Little Ones Original

Lucky Hand Sanitizer Lavender

Lux

Mellow Instant Hand Sanitizer Original

Mousse Vite

Mueller Instant Hand Sanitizer

Ocean Breeze

Ocean Hand Sanitizer

Orange Scented Hand Sanitizer

Peppermint Hand Sanitizer None

Pure Spring

Pure Spring Strawberry and Pomegranate

Purell Advanced Hand Sanitizer Revitalizing Rain

Purell Advanced Hand Sanitizer Spongebob Splash

Purell Advanced Hand Sanitizer Watermelon Splash

Purell Advanced Hand Sanitizer Wintergreen Mint

Purell Advanced Instant Hand Sanitizer

Purell Instant Ultra

Quik-care Antiseptic Handwash

Raining Rose Antiseptic Hand Sanitizer

Recens Foam

Recens Ultra

Refresh Foaming Instant Hand Sanitizer

Renewal Hand Sanitizing Wipes

Royal Hand Sanitizer

Safesha Sweet Orange

Sani Mousse

Sani Spritz

Sani-smooth

Sani-spritz

Saniguard-SF

Scaredy Cat Antibacterial Hand

Silken Hand Sanitizer

Smart San Healthcare Personnel Handwash

Smart Sense Original

Staples Instant Hand Sanitizer

Sterillium Rub Fragrance Free

Superman Berry Scented Antiseptic Hand Cleansing

Sweet Grape Antibacterial Hand

Tc Enrichedfoam Alcohol Hand Sanitizer

Thario Instant Hand Sanitizer

Toasted Vanilla Kit Bodycology

Toasted Vanilla Sugar Hand Sanitizer Bodycology

Topcare Aloe

Topcare Citrus Escape

Topcare Coconut Cream

Toy Cleaner

Triseptin Water Aided

Water Mountain Hand Sanitizer

Waterless Anti Bacterial Hand Sanitizer

Waterless Anti-bacterial Hand Cleanser

Waterless Fragrance Free Hand Sanitizer

Wilde Orchid

Winning Hands Alcohol Foaming

WITCH HAZEL

Witchs Brew Antibacterial Hand

Xtracare Warm Vanilla

Zep Alcohol Sanitizer

Zesty Lemon

1-Hydroxyethane

a polyvinyl alcohol

Al Cafoam

Alcare Plus Foamed Antiseptic Handrub

Alco Hand Sanitizer

Alcohol, anhydrous

Alcohol, dehydrated

Anti-bacterial Hand

Anti-bacterial Hand Bourbon Street Buttercream

Anti-bacterial Hand Caribbean Escape

Anti-bacterial Hand Champagne Sparkle

Anti-bacterial Hand Cleanser

Anti-bacterial Hand Frosted Cranberry

Anti-bacterial Hand Island Margarita

Anti-bacterial Hand Marshmallow Pumpkin Latte

Anti-bacterial Hand Sparklling Sweet Nectarine

Anti-bacterial Hand Stasher

Anti-bacterial Hand Surfside Spritzer

Anti-bacterial Hand Tahitian Paradise

Anti-bacterial Hand Turquoise Waters

Anti-bacterial Hand Watermelon Picnic

Anti-bacterial Hand Winter Wonderland

Antibacterial Hand Icy Mint

Antibacterial Hand Mistletoe and Mint

Antiseptic Hand Gel

Appeal Alcohol Foaming Hand Sanitizer

Apple Blossom Scented Hand Sanitizer

Assured Instant Hand Sanitizer Spray

Avagard D

Avant Foaming Hand Sanitizer

Avant Original Instant Hand Sanitizer

Batman Berry Scented Antiseptic Hand Cleansing

Bea-silky

Blanctis Essence Tooth Whitening Gel

Blockout Foot Wipes

Blue Rasberry Hand Sanitizer

Body Luxuries English Pear Antibacterial Hand Sanitizer

Bodycology Brown Sugar Vanilla Hand Sanitizer

Bubble Gum

Careone Antibacterial Hand Sanitizer Festival Of Lights

Careone Instant Hand Sanitizer Lemon

Cherry Blossom Scented Hand Sanitizer

Clario Foaming Alcohol Instant Hand Sanitizer

Clean All

Clinical Works Cucumber Melon Waterless Hand Sanitizer

Clinical Works Pink Grapefruit Waterless Hand Sanitizer

Coconut Water Scented Hand Sanitizer

Cotton Candy Hand Sanitizer

Ctca Foaming Hand Sanitizer

Cucumber Melon Scented Hand Sanitizer

Derma Stat

Elgin Instant Hand Sanitizer

Enchanted Moments Vanilla Snow Hand Sanitizer

Eo Hand Sanitizer Peppermint

Eo Hand Sanitizer Unscented

Ethanol Absolute Bp

Ethanol Extra Pure

Ethanol, analytical standard

Ethanol, denatured

Ethyl alc

Ethyl alcohol in alcoholic beverages

Everyone Hand Sanitizer Coconut Lemon

Exotic Cherry Blossom Hand Sanitizer

Exotic Cherry Blossom Kit Bodycology

Ezfoam Foaming Alcohol Hand Sanitizer

Fikes Instant Hand Sanitizer

Foam Hand Sanitizer

Forever Hand Sanitizer Hand Sanitizer

Free Hand

Friuts and Flowers Grapefruit Waterless Hand Sanitizer

Frosted Berry Hand Sanitizer

Frosted Cranberry Anti-bacterial Scented Hand Sanitizer

Germ Safe

Goldlove Hand Sanitizer None

Hand and Nature Sanitizer Grapefruit

Hand and Nature Sanitizer Peppermint

Hand Sanitizer Bottle With Carabiner

Hand Sanitizer Sugared Berry

Hand Sanitizer Vanilla Scent

Hand Sanitizing Green Apple

Handi Sani

Handi-sani

Healing Waters Peach Nectarine Hand Sanitizer

Healthy Hands Aloe Instant Hand Antibacterial

Healthy Hands Instant Antiseptic Hand Cleanser

Healthy Hands Instant Antiseptic Hand Cleanser With Moisturizers

Heisclean for Woman

Hes Clean

Husky Instant Hand Sanitizer

Hygiene Master Instant Hand Sanitizer

Instant Foam Hand Sanitizer

Instant Hand Sanitizer Blue Raspberry

Instant Hand Sanitizer Chinese Cherry Blossom

Instant Hand Sanitizer Foam

Instant Hand Sanitizer With Moisturizers Ocean Scented

Jasmine and Green Tea Antibacterial Sanitizer

Justice Mixed Berry Scent Antibacterial Hand Sanitizer

Justice Rhinestone Raspberry Scent Anti-bacterial Hand Sanitizer

Justice Strawberry Scent Anti-bacterial Hand Sanitizer

Kay Alphasan Hand Sanitizer

Kleen Instant Hand Sanitizer With Moisturizers

Kleenex Antiseptic Hand Rub With Moisturizers

Lavender Vanilla Anti-bacterial Hand Sanitizer

Lavender Waterless Hand Wash

Lemon Scented Hand Sanitizer

Lemon Verbena Hand Sanitizer

Letters Lemon Verbena Hand Sanitizer

Lisa Frank Bubblegum Antiseptic Hand Cleansing

Love Hand Sanitizer

Lucky Sanitizing Hand Towels

Mandarin Orange Anti-bacterial Hand Sanitizer

Mango Madness Hand Sanitizer

Mayfair Anti-bacterial Hand Sanitizer

Mcd Hand Sanitizer

Mojito Sun

Naturally Nova Scotia Hand Sanitizer

O Blanctis

One Step Sanitizer

Orchid Antibacterial Vanilla and Apple Blossom

Orchid Sugar Cookie

Passion Fruit Hand Sanitizer

Passion Fruit Kiss

Pc Hansan

PF Hand Sanitizing

Pink Lemonade Hand Sanitizer

Pink Macaroon Hand Sanitizer

Premium Hand Sanitizer Nectarine Mint

Prime-cide

Pro Advantage Instant Hand Sanitizer

Proformance Series Foam Alcohol Hand Sanitizer

Pure Foam

Pure Hands

Purell Advanced Green Certified Instant Hand Sanitizer

Purell Advanced Hand Sanitizer Inspiring Island Getaway

Purell Advanced Hand Sanitizer Moonlit Moments

Purell Advanced Hand Sanitizer Tranquil Sunset

Purell Advanced Hand Sanitizer Warm Fireplace Gathering

Purell Advanced Hand Sanitizer Winter Jubilee

Purell Advanced Hand Sanitizer Winter Wonderland Spice

Purell Advanced Skin Nourishing Instant Hand Sanitizer

Purell Cottony Soft

Purell Sanitizing Hand Wipes

Qsr Hand Sanitizer

Quik Spray

Quik-care

Recens Hand Sanitizer Wipes

Ritz Spritz Mulled Cranberry

Rue Beaute Grapefruit Hand Sanitizer

Rue Beaute Strawberry Hand Sanitizer

Safeway Care Hand Sanitizer

Safeway Instant Hand Sanitizing Wipes

Sani Soft

Sani Wipes

Sani-care

Sani-silk

Sani-soft

Sanisuds Foam Instant Hand Sanitizer

Servo-stat

Spa Originals Instant Hand Sanitizer

Spring Grove Unscented Hand Sanitizer

Stat-foam

Stat-rinse

Sugar Plum

Surgicept Waterless, Surgical Handscrub and Healthcare Personnel Handwash

Sweet Love Hand Sanitizer Bodycology

Sweet Pea

Toasted Vanilla Sugar Kit Bodycology

Vanilla Sugar Hand Sanitizer

Visibly Clean Hand Sanitizer

Warm Vanilla Hand Sanitizer

Waterless Aloe Scented Hand Sanitizer

Waterless Hand Sanitizer Citrus Scent

White Spruce Hand Sanitizer

Wild Strawberry Anti-bacterial Hand Sanitizer

Winning Hands Hand Sanitizer

Xoxo Kit Bodycology

Alcare Or Foamed Antiseptic Handrub

Alcohol, Absolute

ALCOHOL, ANHYDROUS REAGENT

Alcohol, diluted

Amp Instant Hand Sanitizer

Angel Falls Hand Sanitizer

Anti-aging Hand Sanitizer

Anti-bacterial Hand Coconut Cooler

Anti-bacterial Hand Dancing Waters

Anti-bacterial Hand Electric Mango

Anti-bacterial Hand Honeydew Cooler

Anti-bacterial Hand Japanese Cherry Blossom

Anti-bacterial Hand Lemon

Anti-bacterial Hand Pineapple Punch

Anti-bacterial Hand Pumpkin Cupcake

Anti-bacterial Hand Sanitizer Japanese Cherry Blossom

Anti-bacterial Hand Sanitizer Summer Escape

Anti-bacterial Hand Selfie

Anti-bacterial Hand Squad

Anti-bacterial Hand Vanilla Cupcake

Anti-bacterial Hand Winter

Aogel Hand Sanitizer Kids

Apple Blossom Anti-bacterial Hand Sanitizer

Aqua Sunset Hand Sanitizer

Assured Aloe Scented Instant Hand Sanitizer

Avant EX

Blue Paradise Anti-bacterial Hand Sanitizer

Body Luxuries Sweet Lavender Hand Sanitizer

Bodycology Hand Sanitizer Gift Set

Care One Instant Sanitizer

Clean Force Hand Sanitizer

Clear Defense Citrus Sage

Clear Defense Hand Sanitizing Wipes

Clinical Works Ocean Breeze Waterless Hand Sanitizer

Clorox Care Concepts Hand Sanitizer

Cool Clementine Anti-bacterial Scented Hand Sanitizer

Cvs Pharmacy Aloe

Dawnmist Alcohol Gel Hand Sanitizer

Deb Med Instantfoam Hand Sanitizer

Deb Med Instantfoam Optidose Hand Sanitizer

Disney Frozen Berry Scented Antiseptic Hand Cleansing

Enchanted Moments Candy Apple Hand Sanitizer

Enmotion High Frequency Foam Hand Sanitizer

Eo Hand Sanitizer Lavender

Esca Hand Sanitizing Wipes

ethanol-

Ethanol, denatured, Spectrophotometric Grade

Ethyl alcohol usp

Ethyl alcohol, undenatured

Faith Family Ducks Antiseptic Hand Cleansing

Foam Aid

Foamfresh Alco-foam Hand Sanitizer

Fresh Decor Coconut Cream

Fresh Decor Lemon Verbena

Fresh Splash Scented Hand Sanitizer

Frosted Sugar Plum Hand Sanitizer Bodycology

Gbg Aloegel Instant Hand Sanitizer

Ginger Lime Hand Sanitizer

Gingerhead Girl Anti-bacterial Scented Hand Sanitizer

Glitter Ritz Golden Vanilla Embers

Global Clean Instant Hand Sanitizer

Green Apple Hand Sanitizer

Hand and Nature Sanitizer Calendula

Hand and Nature Sanitizer Camellia

Hand and Nature Sanitizer Lavender

Hand and Nature Sanitizer Raspberry

Hand and Nature Sanitizer Rosemary

Hand San

Hand Sanitizer Cds Office Products

Hand Sanitizer Pomegranate Apple With Moisture Beads

Hand Sanitizer W/carabiner

Hand Sanitizing Special Teacher Green Apple

Hand-aid

Healing Waters Aloe Cucumber Hand Sanitizer

Healing Waters Cherry Blossom Scented Waterless Hand Sanitizer

Healing Waters Cotton Blossom Hand Sanitizer

Healing Waters Cucumber Melon Scented Waterless Hand Sanitizer

Healing Waters Lemon Verbena Hand Sanitizer

Health and Beyond Antiseptic Hand Sanitizer

Heisclean for Man

Hello Kitty Hand Sanitizer

Ici Alcohol Hand Sanitizer

Icing Peppermint Candy Anti-bacterial Hand Sanitizer

Ili Hand Sanitizer Instant

Instant Hand Sanitizer Candy Apple

Instant Hand Sanitizer Citrus Scent

Instant Hand Sanitizer Citrus Zest

Instant Hand Sanitizer Gel

Instant Hand Sanitizer Tennder Care

Instant Hand Sanitizer Vanilla Noel

Instant Hand Sanitizer With Moisturizers Aloe Scented

Iso-quin

Jaysol S

Jelly Bean Hand Sanitizer

Justice Blueberry Scent Anti-bacterial Hand Sanitizer

Justice Pineapple Scent Anti-bacterial Hand Sanitizer

Justice Rabbit Strawberry Scent Anti-bacterial Hand Sanitizer

Kindest Kare Foam Antiseptic Handrub With Enhanced Emollients

Kroger Waterless Hand Sanitizer Citrus Scent

Le Techniq Antibacterial Hand Island Citrus

Le Techniq Hand Sanitizer Apple Pomegranate

Lemon Lime Hand Sanitizer

London Hand Sanitizer Vanilla Scent

Lucasol Hand Instant Hand Sanitizer

Mada Hand Sanitizing Wipes

Marvel The Avengers Hand Sanitizer

Med Plus

Medi-pak Performance Instant Hand Sanitizer

Miss Spa

My Little Pony Antibacterial Hand Sanitizer With Moisturizers

Ocean Breeze Scented Hand Sanitizer

Ocean Waterless Hand Wash

Paris Hand Sanitizer Vanilla Scent

Peppermint Ice Anti-bacterial Scented Hand Sanitizer

Perfect Purity Advanced Hand Refreshing Aloe

Piranha Brand Foaming Alcohol Hand Sanitizer

Pure Gel

Purell Advanced Hand Sanitizer Aspen Retreat

Purell Advanced Hand Sanitizer Fresh Peppermint Cheer

Purell Advanced Hand Sanitizer Holiday Spice

Purell Advanced Hand Sanitizer Naturals Gel

Purell Advanced Hand Sanitizer Ultra Nourishing Foam

Purell Advanced Instant Hand Sanitizer Fragrance Free

Raymond Waites Honeysuckle Rose Waterless Anti-bacterial Hand Sanitizer

Recens A

Rite Aid Renewal With Moisturizers

Ru-Tuss Hydrocodone Liquid

Rue21 Doughnut Sprinkles Antibacterial Hand Sanitizer

Rue21 Strawberry Antibacterial Hand Sanitizer

Safeway Care Aloe

Sani Professional Brand Sani-hands

Sani-gel

Sierra Soft Alcohol Hand Sanitizer

Simply Clean Instant Hand Sanitizer

Sj Antibacterial Hand Gel

Smart Sense Aloe

Snappy Apple Scented Hand Sanitizer

Sunshiny Day Scented Hand Sanitizer

Super Suds Anti-bacterial

Sweet Berry Hand Sanitizer

T-chem Antimicrobial Hand

Tampa General Hospital Instant Hand Degermer

Tc Instant Hand Sanitizer

Tecsol C

Tokyo Hand Sanitizer Vanilla Scent

Topcare Vitamin E

Triseptin Hand and Body Antiseptic

Under Paris Hand Sanitizer

Vanilla Cupcake Anti-bacterial Scented Hand Sanitizer

Vanilla Fig Hand Sanitizer

Wegmans Hand Sanitizer Lychee Berry

Wegmans Hand Sanitizer Thai Bamboo

Winter Vanilla Hand Sanitizer None

Wyandotte Sanifect E3

Xtracare Instant Hand Sanitizer Cocoa Butter

Xtracare Sweet Pea Blossom

Zep Instant Hand Sanitizer

Alcohol, ethyl

Alcohol, Grain

Anti-bacterial Hand Beautiful Day

Anti-bacterial Hand Best Friends

Anti-bacterial Hand Boo Ghostly Raspberry

Anti-bacterial Hand Charming Chick Sweet Strawberry

Anti-bacterial Hand Cucumber Mint

Anti-bacterial Hand Elfin Around

Anti-bacterial Hand Firework Fizz

Anti-bacterial Hand Fresh Balsam

Anti-bacterial Hand Gel

Anti-bacterial Hand Georgia Peach

Anti-bacterial Hand Hawaiian Pink Hibiscus

Anti-bacterial Hand Iced White Pomegranate

Anti-bacterial Hand London Cherry Almond Shortbread

Anti-bacterial Hand Magnolias and Mimosas

Anti-bacterial Hand Merry Berry Christmas

Anti-bacterial Hand Merry Cookie

Anti-bacterial Hand Orchard Bloom

Anti-bacterial Hand Orchard Frost

Anti-bacterial Hand Pink Chiffon

Anti-bacterial Hand Pink Prancer

Anti-bacterial Hand Pumpkin Pecan Waffles

Anti-bacterial Hand Shimmer and Champagne

Anti-bacterial Hand South Pacific Sunrise

Anti-bacterial Hand Southern Lemon Chiffon

Anti-bacterial Hand Suncrisp Apple Harvest

Anti-bacterial Hand Sweet Cinnamon Pumpkin

Anti-bacterial Hand White Peach Chardonnay

Berry Sorbet Anti-bacterial Hand Sanitizer

Blanctis Forte II Tooth Whitening

Body Luxuries Cherry Blossom Waterless Anti-bacterial Hand Sanitizer

Body Luxuries Coconut Vanilla Waterless Anti-bacterial Hand Sanitizer

Body Luxuries French Lavender Waterless Anti-bacterial Hand Sanitizer

Body Luxuries Fresh Cotton Hand Sanitizer

Body Luxuries Pineapple Mango Waterless Anti-bacterial Hand Sanitizer

C2H5OH

Coconut Lime Anti-bacterial Hand Sanitizer

Cotton Candy Anti-bacterial Scented Hand Sanitizer

Credit Card Shape Hand Sanitizer

Cvs Pharmacy Hand Sanitizer Aloe

Cvs Pharmacy Instant Hand Sanitizing Wipes

Decon Hand Instant Hand Sanitizer

Dermacen Instant Hand Sanitizer With Aloe

Dignity Health Hand Sanitizer Alcare Plus

Disney Fairies Sweet Berry Scented Antiseptic Hand Cleansing

Disney Minnie Cotton Candy Scented Antiseptic Hand Cleansing

Dr Tichenors First Aid Antispetic

Enbac Skin Antiseptic/sanitizer Contains Aloe Vera

Enchanted Moments Berries and Cream Hand Sanitizer

Eo Hand Sanitizer Lemon

Epi-clenz Instant Hand Antiseptic

Epi-clenz Instant Hand Antiseptic Scented

Essence Of Beauty Citrus Coconuti

Essence Of Beauty Japanese Garden

Essence Of Beauty Vanilla Wishes

Ethanol, technical grade

Ethyl alcohol and water

Ethyl alcohol, anhydrous

Ethyl Alcohol, Denatured

Foam San Hand Sanitizer

Fresh Up Antiseptic Hand

Frosted Berry Hand Sanitizer None

Glitter Ritz Iced Berry

Gum Drop Hand Sanitizer

Hand and Nature Sanitizer Acacia

Hand and Nature Sanitizer Almond

Hand and Nature Sanitizer Avocado

Hand and Nature Sanitizer Jasmine

Hand and Nature Sanitizer Orance

Hand and Nature Sanitizer Tomato

Hand Guard Foaming Instant Hand Sanitizer

Hand Sanitizer Circle K

Hand Sanitizer Sugar Coated Plum

Hand Sanitizer Sweet Sugar Cookie

Hand Sanitizer Winter Jelly Bean

Hand Sanitizer With Aloe

Harmon Face Values Pomegranate Scent Hand Sanitizer

Healing Waters Vanilla Orchid Anti-bacterial Hand Sanitizer

Healing Waters Violet Rose Hand Sanitizer

Health and Beyond Green

Hes Clean Adam

Hes Clean Plus

Icee Blue Raspberry Scented Hand Sanitizer

Instant Hand Sanitizer Aloe Vera

Instant Hand Sanitizer Bubble Gum

Instant Hand Sanitizer Fresh Aloe

Instant Hand Sanitizer Fresh Lemon Scented

Instant Hand Sanitizer Green Apple Scented

Instant Hand Sanitizer Lemon Drop

Instant Hand Sanitizer Sugar Plum

Instant Hand Sanitizer With Aloe

Jasmine Tea and Basil Antibacterial Hand Sanitizer

John Deere Instant Hand Sanitizer

Justice Tucan Strawberry Scent Anti-bacterial Hand Sanitizer

Justice Vanilla Scent Anti-bacterial Hand Sanitizer

Kleenex Moisturizing Hand Sanitizer, Hydrates Skin

Kroger Waterless Hand Sanitizer With Aloe

Le Techniq Aloe

Le Vital Blossom Delight

Le Vital Hidden Passion

Le Vital Japanese Cherry Blossom

Le Vital Vanilla Heaven

Lemon Splash Anti-bacterial Scented Hand Sanitizer

Lemon Verbena Waterless Hand Wash

Letters Ocean Blue Hand Sanitizer

Little Ones Baby Fresh Sanitizer

Love and Beauty Grapefruit Citrus Essence Antibacterial Scented Hand Sanitizer

Lucky Hand Sanitizer Citrus Zest

Mango Papaya Anti-bacterial Scented Hand Sanitizer

One Step Hand Sanitizer

One Step Wipes

Peach Mango Anti-bacterial Hand Sanitizer

Personal Care Hand Sanitizer Aloe

poly(vinyl alcohol) macromolecule

Premium Hand Sanitizer Cucumber Green Tea

Premium Hand Sanitizer With Aloe

Pretty In Paris Hand Sanitizer Bodycology

Prevail White Tea Hand Sanitizer

Purell Advanced Hand Sanitizer Coconut Beach Siesta

Purell Advanced Hand Sanitizer Fresh Peach Blossoms

Purell Advanced Hand Sanitizer Ocean Kiss

Purell Advanced Hand Sanitizer Sprinkled With Love

Purell Advanced Hand Sanitizer Sweet Plum

Purell Advanced Hand Sanitizer Warm Holiday Treats

Quik-care Waterless Antimicrobial Foaming Hand Rub

Rue Beaute Cherry Hand Sanitizer

Rue Beaute Vanilla Cupcake Hand Sanitizer

Rue21 Peppermint Twist Antibacterial Hand Sanitizer

Sani Claw Wipes

Sani-kleen Instant Hand Sanitizer

Santi-gel Instant Hand Sanitizer

Sephora By Opi Moisturizing Hand Sanitizer

Servo Stat-foam

Servo-stat Balm

Smart San Hand Sanitizer

Soft Care Hand Sanitizer

Soft Care Instant Hand Sanitizer

Spirits of wine

Sterile Alcohol Prep Pad

Stoko Gel Instant Hand Sanitizer

Strawberry Shortcake Berry Best Friends Mixed Berry Antiseptic Hand Cleansing

Sunny Day Scented Hand Sanitizer

Sweet Pea Blossom Hand Sanitizer

Sweet Pea Waterless Anti-antibateria Hand Sanitizer

Tork Hand Sanitizer Alcohol Foam

Tork Premium Hand Sanitizer Foam

Tough Guy Instant Hand Sanitizer

Trick Or Treat Antibacterial Hand

Ulta Freshwater Mist Anti-bacterial Hand Sanitizer

Ulta Pomegranate Lime Anti-bacterial Hand Sanitizer

Ulta Sparkling Lemon Anti-bacterial Hand Sanitizer

VANILLA Powder

Vanilla Brown Sugar Scented Hand Sanitizer

Vanilla Cream and Apple Blossom Antibacterial Hand Sanitizer

Vanilla Sugar Anti-bacterial Scented Hand Sanitizer

Viamed Alcohol Prep Pad

Vida Mia Hand Sanitizer

Xtracare Instant Hand Sanitizer Aloe Vera

Zytec Germ Buster Hand Sanitizer

3 Hand Sanitizers

Aethylalkohol [German]

Alco-san Instant Skin Sanitizer

American Continental Techlabs, Llc Instant Hand Sanitizer

Anti-bacterial Hand Black Cherry Merlot

Anti-bacterial Hand Cocoa Mint

Anti-bacterial Hand Coconut Lime Verbena

Anti-bacterial Hand Cool Coconut Colada

Anti-bacterial Hand Fall Lakeside Breeze

Anti-bacterial Hand Fresh Sparkling Snow

Anti-bacterial Hand Gel Caribbean Escape

Anti-bacterial Hand Gel Fresh Picked Strawberries

Anti-bacterial Hand Gel Vanilla Cupcake

Anti-bacterial Hand Give Thanks

Anti-bacterial Hand Harvest Mouse Citrus

Anti-bacterial Hand Hawaii Honolulu Sun

Anti-bacterial Hand Jawesome Sea Breeze

Anti-bacterial Hand Paris Amour

Anti-bacterial Hand Ripe Raspberry Vine

Anti-bacterial Hand Sanitizer Sweet Pea

Anti-bacterial Hand Santa Paws

Anti-bacterial Hand Santa Tizer

Anti-bacterial Hand Savannah Mint Julep

Anti-bacterial Hand Sweet Cinnamon Pumpkin Purrfect Potion

Anti-bacterial Hand Vanilla Berry Sorbet

Antibacterial Hand Sanitizer Basil and Green Tea

Assured Instant Hand Sanitizer With Moisturizers Aloe Vera and Moisturizers

Avant Eco-premium Instant Hand Sanitizer

B4 Hand Sanitizer

Blue Cross Laboratories Hand Rx

Body Blends Apple Attraction Anti-bacterial Hand Sanitizer

Body Blends Citrus Awakening Anti-bacterial Hand Sanitizer

Body Luxuries Strawberry Scented Waterless Anti Bacterial Hand Gel

C2H6O

Cardinal Health Hand Sanitizer With Aloe

Care Bears Cotton Candy Antiseptic Hand Cleansing

CHEMBL545

Chempace Sani-gel Instant Skin Sanitizer

Crisp Apple Hand Sani

Disney Pixar Cars Berry Scented Antiseptic Hand Cleansing

Dots Apple Cinnamon Anti-bacterial Hand Sanitizer

Eo Hand Sanitizer Sweet Orange

Ethanol, silent spirit

Foaming Instant Hand Sanitizer With Aloe

Frosted Berries and Cream Sanitizer Pen

Game Day Msc Mainstreet Collection Hand Sanitizer

Ginger Lime Waterless Hand Wash

Hand and Nature Sanitizer Aloe

Hand and Nature Sanitizer Apple

Hand and Nature Sanitizer Cherry Blossom

Hand and Nature Sanitizer Grape

Hand and Nature Sanitizer Honey

Hand and Nature Sanitizer Kiwi

Hand and Nature Sanitizer Lemon

Hand and Nature Sanitizer Peach

Hand and Nature Sanitizer Peony

Hand and Nature Sanitizer Rose

Hand San Instant Hand Sanitizer

Hand Sanitizer Citrus Coconut With Moisture Beads

Hand Sanitizer Hand Rx

Hand Sanitizer Passion Flower With Moisture Beads

Hand Sanitizing A Plus Teacher Unscented

Harmon Face Values Hand Sanitizer Spray

Healing Waters Cucumber Melon Scented Anti-bacterial Hand Sanitizer

Healing Waters Island Nectar Scented Anti-bacterial Hand Sanitizer

Health and Beyond Instant Hand Sanitizer

Hes Clean Eve

Icee White Cherry Scented Hand Sanitizer

Icing Iced Frosting Anti-bacterial Hand Sanitizer

Ics3 Blue Healthcare Hand Antiseptic

Instant Hand Sanitizer With Shea Butter

Justice Anti Bac Hand Sanitizer

Justice Cactus Vanilla Scent Anti-bacterial Hand Sanitizer

Justice Create Inspire Explore Blueberry Scent Anti-bacterial Hand Sanitizer

Justice Elephant Mango Scent Anti-bacterial Hand Sanitizer

Justice Strawberry Scent Anti Bac Hand Sanitizer

Justice Vanilla Anti Bac Hand Sanitizer

Kindest Kare Air-infused Foam Antiseptic Handrub

Kleenex Hand Sanitizer, Green Certified

LA Mer Hand Sanitizer

Le Techniq Hand Sanitizer Jasmine Basil

Le Vital Berry Kissed

Le Vital Midnight Rush

Love and Beauty Coconut Vanilla Essence Antibacterial Scented Hand Sanitizer

Lucky Instant Hand Sanitizer Citrus Zest

Marvel Ultimate Spider-man Berry Scented Antiseptic Hand Cleansing

Modesa Anti-bacterial Hand Gel

Natural Extensions Fragrance- Free Instant Hand Sanitizer

Nu Skin Epoch

Pretty In Paris Kit Bodycology

Pumpkin Pie Anti-bacterial Scented Hand Sanitizer

Purell Advanced Hand Sanitizer Oven-baked Apples

Purell Advanced Hand Sanitizer Sweet Papaya Mango

Purell Advanced With Aloe Instant Hand Sanitizer

Raymond Waites Gerber Daisy Waterless Anti-bacterial Hand Sanitizer

Reagent Alcohol, reagent grade

Rite Aid Instant Hand Sanitizer

Rite Aid Instant Hand Sanitizer With Moisturizers

Rue21 Cherry Antibacterial Hand Sanitizer

Rue21 Cherry Blossom Antibacterial Hand Sanitizer

Sani-hands Instant Hand Sanitizing Wipes

Saniklean E3 Hand Sanitizer

Smart San Hand Sanitizer Spray

Smart Sense Vitamin E Sanitizer

Soft N Sure Antiseptic

Sukang Alcohol Prep Pads Medium

Susan Winget Mango Orange Hand Sanitizer

Sweet Candy Kiss Sanitizer Pen

Tork Hand Sanitizer Alcohol Gel

Ulta Lavender Woods Anti-bacterial Hand Sanitizer

Ulta Mandarin Mint Anti-bacterial Hand Sanitizer

Ulta Vanilla Sugar Anti-bacterial Hand Sanitizer

Wild Passion Flower Anti-bacterial Hand Sanitizer

Xtracare Hand Sanitizer Moisturize With Vitamin E

3m Avagard Foam

3m Avagard Foaming Instant Hand Antiseptic

3m Avagard Instant Hand Antiseptic With Moisturizers

3p Instant Hand Sanitizer

AC1L19TW

AC1Q31MM

Anti-bacterial Hand A Thousand Wishes

Anti-bacterial Hand Autumn Owl Cranberry Apple

Anti-bacterial Hand Be Joyful

Anti-bacterial Hand Bright Autumn Day

Anti-bacterial Hand Cozy Vanilla Cream

Anti-bacterial Hand Crisp Morning Air

Anti-bacterial Hand French Kiss Berry

Anti-bacterial Hand Fresh Lemon Daisy

Anti-bacterial Hand Fresh Market Apple

Anti-bacterial Hand Gel Mango Madness

Anti-bacterial Hand Gel Pink Lemonade

Anti-bacterial Hand Napa Valley Sunset

Anti-bacterial Hand Perfect Autumn Day

Anti-bacterial Hand Plum Cider Warmth

Anti-bacterial Hand Sanitizer Sugar Lemon Fizz

Anti-bacterial Hand Sweet Pea

Anti-bacterial Hand Tgif Coconut Sugar

Anti-bacterial Hand Vanilla Bean Noel

Anti-bacterial Hand Warm Vanilla Sugar

Anti-bacterial Hand Winter Candy Apple

Antibacterial Hand Polar Mint and Arctic Blast

Antiseptic Hand Gel With Aloe

April Bath and Shower Cucumber Melon Scented Antibacterial Hand Sanitizer

Assured Hand Sanitizer With Aloe Vera

Assured Hand Sanitizer With Vitamin E

Bacti-free Tm Hand Sanitizer

Body Blends Vanilla Sugar Anti-bacterial Hand Sanitizer

Body Luxuries Blueberry Scented Waterless Anti Bacterial Hand Gel

Candy Coated Apple Anti-bacterial Scented Hand Sanitizer

Clean Xpress Alcohol Gel Instant Skin Sanitizer

Cvs Pharmacy Anti-aging Hand Sanitizer

Cvs Pharmacy Instant Hand Sanitizer Fresh Scent

Dots Asian Spice Anti-bacterial Hand Sanitizer

Dr.phi Instant Hand Sanitizer

Epi-clenz Plus Instant Hand Antiseptic

Epi-clenz Plus Instant Hand Sanitizer

Epi-clenz Pure Instant Hand Antiseptic

Essence Of Beauty Snowy Apple

Essence Of Beauty Wind Kissed

Ethanol, anhydrous, denatured

Ethanol, anhydrous, denatured, Spectrophotometric Grade

Ethanol, for residue analysis

Ethylalcohol [Dutch]

Five Photo Brand First Aid Antiseptic

Friuts and Flowers Clean Cotton Waterless Hand Sanitizer

Han-I-foam

Han-I-size

Hand and Nature Sanitizer Apple Mango

Hand E San

Hand Gel Prolim Instant Hand Sanitizer

Hand Sanitizer Moisturizing With Vitamin E and Glycerin

Hand Sanitizer Sun Blossom With Moisture Beads

Hand Sanitizer With Aloe Vera

Hand Sanitizer With Moisturizers and Vitamin E

Healing Water Amber Flower Anti-bacterial Hand Sanitizer

Healing Waters Clean Cotton Scented Anti-bacterial Hand Sanitizer

Hes Clean for Woman

Instant Hand Sanitizer With Vitamin E

Justice Cotton Candy Scent Anti-bacterial Hand Sanitizer

Justice Dance Orange Scent Anti-bacterial Hand Sanitizer

Justice Hamburger Green Apple Scent Anti-bacterial Hand Sanitizer

Justice Tortoise Green Apple Scent Anti-bacterial Hand Sanitizer

Klar and Danver Instant Hand Santizer

LA Bodies Purita Anti-bacterial Hand Sanitizer

Le Vital Dreamy Glow

Microban 80

My Little Pony Grape Antiseptic Hand Cleansing

On Guard Hand Sanitizing Wipe

One Step Hand Sanitizer Aloe

Pdi Alcohol Swabstick Threes and Ones

Pink Grape Fruit Waterless Anti-bacterial Hand Sanitizer

Purell Advanced Hand Sanitizer O Christmas Tree

Purse Essentials Hand Sanitizer Anti-bacterial Hand Berry Sorbet

Purse Essentials Hand Sanitizer Anti-bacterial Hand Vanilla Sugar

Reagent Alcohol, ACS reagent

Rue21 Cotton Candy Antibacterial Hand Sanitizer

Rue21 Midnight Musk Antibacterial Hand Sanitizer

Rue21 Ocean Breeze Antibacterial Hand Sanitizer

Rue21 Posh Antibacterial Hand Sanitizer

Rue21 Sugar Cookie Antibacterial Hand Sanitizer

Rue21 Vanilla Spice Antibacterial Hand Sanitizer

San-E-foam

Sani Professional Brand Sani-hands Instant Hand Sanitizing Wipes

Sani-hands for Kids

SDA 3A

Smart San Hand Sanitizer Spray Fragrenace-free

Soft Care Foam Instant Hand Sanitizer

Soft Care Fragrance Free Instant Hand Sanitizer

Soft N Sure Foamed Antiseptic Handrub

Stoko Gel Free Instant Hand Sanitizer

Sundrops 73

Sweet Pea Anti-bacterial Scented Hand Sanitizer

SY Fresh M

Topcare Jasmine Tea and Basil

Virx Instant Hand Sanitizer With Security Clip

ACMC-1AT5A

Aethanol [German]

Alkoholu etylowego [Polish]

Anti-bacterial Hand Berry Scary Ghoul Friend

Anti-bacterial Hand Candy Cane Bliss

Anti-bacterial Hand Fiji White Sands

Anti-bacterial Hand Gel Candy Apple

Anti-bacterial Hand Gel Cotton Candy

Anti-bacterial Hand Hoot Eerie Pear

Anti-bacterial Hand Oh Snap

Anti-bacterial Hand Red Velvet Cheer

Anti-bacterial Hand Spray Sweet Pea

Anti-bacterial Hand Spray Warm Vanilla Sugar

Anti-bacterial Hand Sunlight and Apple Trees

Anti-bacterial Hand Sweet Peach Tea

Anti-bacterial Hand Twisted Web Creepy Orange

Anti-bacterial Hand Wicked Plum Vampire Blood

Body Luxuries French Lavender Scented Waterless Anti Bacterial Hand Gel

Careone Instant Hand Sanitizer With Moisturizers and Vitamin E

CID702

Clean N Fresh Instant Hand Sanitizer

Cvs Pharmacy With Vitamin E

Dehydrated Alcohol, pharmaceutical secondary standard; traceable to USP

Denatured alcohol CD-5

Denatured alcohol CD-5a

Denatured alcohol SD-1

Denatured alcohol SD-3a

Essence Of Beauty Lilies and Freesia

Essence Of Beauty Sugar Frosted Mint

Etanolo [Italian]

Ethanol, denatured, special

Ethanol, for UV Spectrocopy

Ethyl Alcohol 70 Percent Readyincase

Fresh Decor Basil Green Tea

Hand and Nature Sanitizer Green Tea

Hand and Nature Sanitizer White Musk

Hand-E XL

Harmon Face Values Cherry Blossom Scent Hand Sanitizer

Harmon Face Values Cucumber Melon Scent Hand Sanitizer

Healing Waters Sweet Pea Lily Hand Sanitizer

Healing Waters Sweet Pea Scented Anti-bacterial Hand Sanitizer

Healing Waters White Tea Pear Hand Sanitizer

Health Care Instant Hand Sanitizer Ice Clear

Hello Kitty By Sanrio Hand Sanitizer

Instant Hand Sanitizer Original With Moisturizer and Vitamin E

Instant Hand Sanitizer Unscented With Moisturizer and Vitamin E

Instant Hand Sanitizer With Moisturizers and Vitamin E

Instant Hand Sanitizer With Shea Butter Beads

Justice Bubble Gum Scent Anti-bacterial Hand Sanitizer

Justice Latte Cotton Candy Scent Anti-bacterial Hand Sanitizer

Justice Letter A Blueberry Scent Anti-bacterial Hand Sanitizer

Justice Letter B Blueberry Scent Anti-bacterial Hand Sanitizer

Justice Letter C Blueberry Scent Anti-bacterial Hand Sanitizer

Justice Letter D Blueberry Scent Anti-bacterial Hand Sanitizer

Justice Letter E Blueberry Scent Anti-bacterial Hand Sanitizer

Justice Letter G Blueberry Scent Anti-bacterial Hand Sanitizer

Justice Letter H Blueberry Scent Anti-bacterial Hand Sanitizer

Justice Letter I Blueberry Scent Anti-bacterial Hand Sanitizer

Justice Letter J Blueberry Scent Anti-bacterial Hand Sanitizer

Justice Letter K Blueberry Scent Anti-bacterial Hand Sanitizer

Justice Letter L Blueberry Scent Anti-bacterial Hand Sanitizer

Justice Letter M Blueberry Scent Anti-bacterial Hand Sanitizer

Justice Letter N Blueberry Scent Anti-bacterial Hand Sanitizer

Justice Letter P Blueberry Scent Anti-bacterial Hand Sanitizer

Justice Letter R Blueberry Scent Anti-bacterial Hand Sanitizer

Justice Letter S Blueberry Scent Anti-bacterial Hand Sanitizer

Justice Letter T Blueberry Scent Anti-bacterial Hand Sanitizer

Justice Vanilla Scent Anti Bac Hand Sanitizer

Le Vital Sweet Pea

Love and Beauty Floral Rose Essence Antibacterial Scented Hand Sanitizer

Love and Beauty Lemon Fresh Essence Antibacterial Scented Hand Sanitizer

Love and Beauty Sweet Berry Essence Antibacterial Scented Hand Sanitizer

Lucky Hand Sanitizer With Aloe Vera

Lucky Hand Sanitizer With Vitamin E

Medi-pak Performance Instant Hand Sanitizer With Aloe

Pdi Sani-hands Instant Hand Sanitizing Wipes

Pure Spring Lemon and Mint

Purell Advanced Hand Sanitizer Grandma S Apple Delight

Purse Essentials Hand Sanitizer Anti-bacterial Hand Wild Passion Flower

Reagent Alcohol, used for histology tissue preparation

Rue21 Apple Spice Antibacterial Hand Sanitizer

Sani Professional Brand Sani-handsinstant Hand Sani Instant Hand Sanitizing Wipes

Sani-professional Sani-hands Made With Tencel

SD 3A

Select Antiseptic Hand Gel With Aloe

Strawberry Antibacterial Hand Sanitizer With Aloe and Vitamin E

Susan Winget Berries and Cream Hand Sanitizer

Take Care Clinic Instant Hand Sanitizer Spray

[OEtH]

2-pack Hand Sanitizer

3 Hand Sanitizers Kit

3 Pack Instant Hand Sanitizer With Moisturizers

3m Avagard D

Alcool ethylique [French]

Alcool etilico [Italian]

Alkohol [German]

Anti-bacterial Hand Gel Apple Pie

Anti-bacterial Hand Gel Sweet Pea

Anti-bacterial Hand Help Me Cranberry Sauce

Anti-bacterial Hand I Love Glitter

Anti-bacterial Hand Italy Tuscan Lemon Tart

Anti-bacterial Hand Ocean for Men

Anti-bacterial Hand Paris Pink Champagne and Tulips

Anti-bacterial Hand Pretty In Pink

Anti-bacterial Hand Tis The Season

Ben E.keith Hand Cleaner

Body Blends Coconut Lime Escape Anti-bacterial Hand Sanitizer

Body Luxuries Dahlia Blossom Scented Waterless Anti Bacterial Hand Gel

Cologne spirits (alcohol)

Cvs Pharmacy Foam Hand Sanitizer With Aloe

Eclair Naturals (vanilla Peppermint) Hand Sanitizer

Ethanol, standard for GC

Ethyl Alcohol 40%

Ethyl Alcohol 70%

Ethyl Alcohol 75%

Ethyl Alcohol 80%

Ethyl Alcohol 90%

Etylowy alkohol [Polish]

Fair and Square Antibacterial Hand Sanitizer With Vitamine E

Good To Go Hand Sanitizer

GTPL2299

Hand Sanitizer Lemon Scent Hand Rx

Hand Sanitizer With Moisturizers Vitamin E and Aloe

Harris Teeter Hand Sanitizer With Vitamin E

Heb Jasmine Tea and Basil

HSDB 82

Instant Hand Sanitizer - Original

Instant Hand Sanitizer - Strawberry Scented

Instant Hand Sanitizer Extra Enriched With Vitamin E Strawberry Scent

Instant Hand Sanitizer With Moisturizers All In One

Justice Bff Cotton Candy Scent Anti-bacterial Hand Sanitizer

Justice Fruit Scent Anti Bac Hand Sanitizer

Justice Grape Scent Anti Bac Hand Sanitizer

Justice Mermaid Mix Berry Scent Anti-bacterial Hand Sanitizer

Justice Mixed Berry Anti Bac Hand Sanitizer

Justice Pop Corn Vanilla Scent Anti-bacterial Hand Sanitizer

KSC353A0H

Lavender Antibacterial Hand Sanitizer With Aloe and Vitamin E

Lucky Instant Hand Cleanser With Aloe Vera

Lucky Instant Hand Cleanser With Vitamin E

Lucky Instant Hand Sanitizer With Aloe Vera

Lucky Instant Hand Sanitizer With Vitamin E

Lucky Instant Hand Sanitizer With Vitamin E and Moisturizers

Pdi Sani-handsinstant Hand Sani Instant Hand Sanitizing Wipes

Purell Advanced E3 Rated Instant Hand Sanitizer

Reagent Alcohol, for HPLC

Rite Aid Renewal Moisturizers and Vitamin E

Sani-hands II Instant Hand Sanitizing Wipes

Smart San Es Hand Sanitizer Spray

Whiskcare 373

Whiskcare 375

3 Pack Instant Hand Sanitizer With Moisturizers Lavender Scented

6869AF

Alcohol (ethyl alcohol)

Alcohol (USP)

Alcohol [USP]

Alpha E-3

Aniosgel 85 Npc

Anti-bacterial Hand I Donut Care

Anti-bacterial Hand Need A Hand Starbright Citrus

Anti-bacterial Hand Snow Day Ice Blizzard

Apple Antibacterial Hand Sanitizer With Aloe and Vitamin E

April Bath and Shower Sweet Pea Scented Antibacterial Hand Sanitizer

April Bath and Shower Warm Vanilla Sugar Scented Antibacterial Hand Sanitizer

Assured Instant Hand Sanitizer With Moisturizers Vitamin E and Aloe

Avant Original - Fragrance Free

Body Luxuries English Pear Scented Waterless Anti Bacterial Hand Gel

Body Luxuries Lotus Flower Scented Waterless Anti Bacterial Hand Gel

Body Raves Antibacterial Hand Sanitizer - Lavender Vanilla

CDA 19

Cvs Pharmacy Instant Hand Sanitizer With Moisturizers and Vitamin E

Dehydrated ethanol (TN)

Denatured alcohol CD-10

Denatured alcohol SD-13a

Denatured alcohol SD-17

Denatured alcohol SD-23a

Denatured alcohol SD-28

Denatured alcohol SD-30

Denatured alcohol SD-39b

Denatured alcohol SD-39c

Denatured alcohol SD-40m

Enmotion Foam Hand Sanitizer W-moisturizers, Fragrance Free

Ethanol [JAN]

Ethyl alcohol (Ethanol)

Ethyl Alcohol 70 Percent

Fair and Square Antibacterial Hand Sanitizer With Aloe Vera

Family Dollar Instant Hand Sanitizer With Moisturizers and Vitamin E

Harmon Face Values Warm Vanilla Sugar Scent Hand Sanitizer

IMS 99

Instant Hand Sanitizer - Vanilla Scented

Justice Cotton Candy Scent Anti Bac Hand Sanitizer

Justice Mixed Berry Scent Anti Bac Hand Sanitizer

Justice Puppy Love Cotton Candy Scent Anti-bacterial Hand Sanitizer

Kroger Waterless Hand Sanitizer Citrus Scent With Moisturizers and Vitamin E

Le Vital Moon To Light

Rue21 Ocean Anti-bacterial Hand Sanitizer

Sani Professional Brand Sani-hands With Tencel Instant Hand Sanitizing Wipes

Stoko Refresh 4in1 Instant Hand Sanitizer

Virx Instant Hand Sanitizer With Moisturizers and Vitamin E

Whiskcare 375 Fragrance Free

100C.NPA

3 Pack Family Dollar Instant Hand Sanitizers

Alcohols, C30

Aloe Scent A B Hand Sanitizing

Alpet E3 Plus Hand Sanitizer Spray

Anti-bacterial Hand Jingle All The Way

Anti-bacterial Hand New York Big Apple Sparkler

Bd E-Z Care

Body Raves Antibacterial Hand Sanitizer - Wild Strawberry

CCRIS 945

Chemco Anisha K. Instant Skin Sanitizer

CTK2F3003

Duplicating Fluid 100C.NPA

E1510

E7023_ALDRICH

E7148_ALDRICH

Eclair Naturals (french Lavender) Hand Sanitizer

Esumiru WK 88

Ethanol 200 proof

Facility Maintenance Instant Hand Sanitizer Hs-67

HMDB00108

I Love Ny Hand Sanitizer Vanilla Scent

Instant Hand Sanitizer - Clear

Instant Hand Sanitizer Extra Enriched With Vitamin E Bead Strawberry Scent

Instant Hand Sanitizer Extra Enriched With Vitamin E Vanilla Scent

Isagel B-I-B

Justice Blue Berry Scent Anti Bac Hand Sanitizer

Ke-53ps Hand Sanitizer

Love and Beauty Peach Mango Anti-bacterial Hand Sanitizer

Northside Hospital Amenity Kit--gi Dept

Ocean Breeze Antibacterial Hand Sanitizer With Aloe and Vitamin E

Out Of The Blue Scented Hand Sanitizer

Pier 1 Imports Blueberry Parfait Anti-bacterial Hand Sanitizer

Pier 1 Imports Lavender Anti-bacterial Hand Sanitizer

Purell Advanced E3 Rated Instant Hand Sanitizer Foam

Rue21 Island Fruits Anti-bacterial Hand Sanitizer

SD Alchol 23-hydrogen

SD alcohol 23-hydrogen

Symmetry Hand Sanitizer With Aloe and Vitamin E

Well At Walgreens Advanced Hand Sanitizer With Vitamin E

Whole Health Hand Sanitizers 3-pack

WLN: Q2

Xtracare Hand Sanitizer Moisurize With Vitamin E and Aloe

3 Pack Instant Hand Sanitizer With Moisturizers Aloe Scented

Alcohol Determination-Alcohol, United States Pharmacopeia (USP) Reference Standard

All Fresh By Alsco Instant Mist Hand Sanitizer

Alpha E-3 Instant Hand Sanitizer

Amoray Premium Instant Hand Sanitizer With Aloe and Vitamin E Strawberry

Anti-bacterial Hand Meet Me In Paris

Careone Instant Hand Sanitizer With Aloe and Vitamin E

Citrus Hand Sanitizer With Vitamin E and Aloe

DB00898

E2385_SIGMA

E7517_SIGMA

Endure 300 Hand Sanitizer

Endure 450 Surgical and Healthcare Personnel Hand Antiseptic With Moisturizers

Ethanol, Alcohol Reagent, anhydrous, denatured

Ethyl Alcohol Absolute, ACS/USP Grade

First Aid Plus More Alcohol Prep Pad

Instant Hand Sanitizer - Cocoa Butter

Instant Hand Sanitizer With Aloe and Vitamin E

Kroger Waterless Hand Sanitizer With Aloe With Moisturizers and Vitamin E

Le Vital Wake Me Up

Marvel Iron Man 3 Hand Sanitizer

NSC85228

Pdi Alcohol Prep Pad Large and Medium

Pdi Alcohol Prep Pad Sterile Large and Medium

Pdi Sani-hands Alc Antimicrobial Alcohol Gel Hand Wipes

Pier 1 Imports Cherry Anti-bacterial Hand Sanitizer

Reagent Alcohol, 70%

Reagent Alcohol, 80%

Reagent Alcohol, 95%

RL04444

Rue21 Coco Breeze Anti-bacterial Hand Sanitizer

Sani Professional Brand Sani-hands for Kids Instant Hand Sanitizing Wipes

Symmetry Foaming Hand Sanitizer With Aloe and Vitamin E

Ultra Care-aid Sanitizer Antiseptic Hand Sanitizer Citric Fragrance With Aloe Vera

Vanilla Hand Sanitizer With Vitamin E and Aloe

2858_SIGMA

ALCOHOL 5% AND DEXTROSE 5%

Amoray Premium Instant Hand Sanitizer With Aloe and Vitamin E Lavender

Amoray Premium Instant Hand Sanitizer With Aloe and Vitamin E Original

Anti-bacterial Hand Ooh LA LA French Blooms

Anti-bacterial Hand Sanitizer 2 Pack Blue Sunshiny Scented

Anti-bacterial Hand Sanitizer 2 Pack Splash Apple Scented

Berry Hand Sanitizer With Vitamin E and Aloe

bmse000297

C00469

D00068

Dehydrated Alcohol, United States Pharmacopeia (USP) Reference Standard

DSSTox_CID_584

E7023_SIAL

E7148_SIAL

Endure 320 Advanced Care Waterless Antimicrobial Hand Rinse With Moisturizers

Ethanol (9CI)

Ethanol, denatured 1L

Fresh Hand Sanitizer With Vitamin E and Aloe

Hand Sanitizer Gift Set 3-pack

Handy Solutions Instant Hand Sanitizer With Aloe and Vitamin E

Harris Teeter Hand Sanitizer With Vitamin E and Aloe

Husky 515 Instant Hand Sanitizer

Instant Hand Sanitizer - Ice Clear

Instant Hand Sanitizer Extra Enriched With Vitamin E Bead Vanilla Scent

Instant Hand Sanitizer Extra Enriched With Vitamin E Lemon Fresh Scent

Ke-53ps Gel Hand Sanitizer

LTBB002977

Mellow Instant Hand Sanitizer With Aloe and Vitamin E

nchembio.94-comp20

Pier 1 Imports Crisp Bamboo Anti-bacterial Hand Sanitizer

Pier 1 Imports Ginger Peach Anti-bacterial Hand Sanitizer

Pier 1 Imports Lily Blossom Anti-bacterial Hand Sanitizer

Pier 1 Imports Passion Fruit Anti-bacterial Hand Sanitizer

Pier 1 Imports Sugared Plum Anti-bacterial Hand Sanitizer

Pier 1 Imports Vanilla Mint Anti-bacterial Hand Sanitizer

Rue 21 Legend Blueberry Anti Bacterial Hand Sanitizer

Rue 21 Paris Creamsicle Anti Bacterial Hand Sanitizer

Rue 21 Young Strawberry Anti Bacterial Hand Sanitizer

Symmetry Foaming Hand Sanitizer Fragrance Free With Aloe and Vitamin E

Symmetry Foaming Hand Sanitizer-fragrance Free With Aloe and Vitamin E

Triton Hs-777

Up and Up Alcohol Prep Pad

24102_RIEDEL

24103_RIEDEL

24105_RIEDEL

24106_RIEDEL

24194_RIEDEL

32205_RIEDEL

32221_RIEDEL

32294_RIEDEL

34963_RIEDEL

40210_ALDRICH

40210_RIEDEL

48075_SUPELCO

AHD 2000

Aire-master Sanitizer Gel Vit E/a

ALCOHOL 5% IN DEXTROSE 5%

Alcohol, United States Pharmacopeia (USP) Reference Standard

Anhydrol PM 4085

Anhydrous ethanol (JP17)

Antibacterial Hand Gift Set Icy Mint and Candy Cane

Antiseptic Hand Sanitizing Wipe Enriched With Vitamin E and Aloe Vera

Cvs Pharmacy Instant Hand Sanitizer With Aloe and Vitamin E

DAP000681

DTXSID9020584

Easy To Break-off Cleaning and Disinfecting Swabstick Jjb-I

Ethanol, anhydrous, denatured, HPLC Grade

Ethyl Alcohol Absolute (Organic) USP Grade

FEMA Number 2419

Health and Beyond Instant Hand Sanitizer Twin Pack Twin Pack

Instant Hand Sanitizer (gel-type)

Instant Hand Sanitizer Original With Aloe Vera and Vitamin E

Instant Hand Sanitizer With Moisturizers (aloe Vera and Moisturizers)

Love and Beauty Melon and Mint Anti-bacterial Hand Sanitizer

LS-1539

nchem.651-comp3c

OR034186

OR208849

OR242365

OR245565

OR271134

OR369097

Pdi Sani-hands for Kids Antimicrobial Alcohol Gel Hand Wipes

Pier 1 Imports Iced Cookie Anti-bacterial Hand Sanitizer

Purell Instant Hand Sanitizer Foam (ethyl Alcohol)

Rue 21 Apple Anti Bacterial Hand Sanitizer

Rue21 Runway 21 Antibacterial Hand Sanitizer

STL264245

The Fresh Market Hand Sanitizer With Moisturizers Aloe and Vitamin E

UN 1170

02483_FLUKA

02851_FLUKA

02853_FLUKA

02854_FLUKA

02855_FLUKA

02856_FLUKA

02856_SIAL

02857_FLUKA

02857_SIAL

02858_FLUKA

02858_SIAL

02860_FLUKA

02865_FLUKA

02865_SIAL

02870_FLUKA

02870_SIAL

02875_FLUKA

02877_FLUKA

02878_FLUKA

02882_FLUKA

02882_SIAL

02883_FLUKA

02884_FLUKA

02890_FLUKA

02890_SIAL

02891_FLUKA

02891_SIAL

24102_SIAL

24103_SIAL

24105_SIAL

24106_SIAL

24194_SIAL

29221_FLUKA

32205_SIAL

32221_SIAL

32294_SIAL

34870_SIAL

39278_FLUKA

41322_FLUKA

ALCOHOL 10% AND DEXTROSE 5%

Alcohol dehydrated, >=85.0%

Alcohol, pharmaceutical secondary standard: traceable to USP, PhEur

Alcohols, C1-3

Alcohols, C6-9

Anti-bacterial Hand Sanitizer 2 Pack Blue Day Scented

Anti-bacterial Hand Sanitizer 3 Pack Blue Day Scented

Antibacterial Hand - Witchs Brew and Scaredy Cat

CHEBI:16236

CHEBI:17246

D000431

Enmotion Hand Sanitizer With Moisturizers, Fragrance Free, Dye Free

Ethyl Alcohol 47.5%

Ethyl Alcohol 95% ACS/USP Grade

Ethyl Alcohol Absolute (Synthetic) ACS/USP Grade

ETHYL, 2-HYDROXY-

Fatty Alcohol C8-10

Hand and Nature Sanitizer Peach 250ml

Instant Hand Sanitizer Extra Enriched With Vitamin E Bead Lemon Fresh Scent

Janitech Jan-HS-40 Instant Hand Sanitizer

Just 4 Girl Waterless Anti Bacterial Hand Sanitizer Berry Blast

My Instant Hand Sanitizer With Aloe and Vitamin E

nchembio.552-comp10

NCI-C03134

Ru-Tuss Expectorant (Salt/Mix)

Rue 21 Fallen Vixen Anti Bacterial Hand Sanitizer

Rue 21 Queen Cherry Anti Bacterial Hand Sanitizer

Rue 21 Sugar Cookie Anti Bacterial Hand Sanitizer

United Laboratories 464 Pump and Protect Alcohol Hand Sanitizer

(C6-C9)Alkyl alcohol

187380_ALDRICH

245119_ALDRICH

270741_ALDRICH

277649_ALDRICH

3K9958V90M

458600_ALDRICH

459828_ALDRICH

459836_ALDRICH

493538_ALDRICH

493546_ALDRICH

Amoray Premium Instant Hand Sanitizer With Aloe and Vitamin E Fresh Citrus

AN-41865

Anti-bacterial Hand Sanitizer 3 Pack 2

ANW-42207

DSSTox_GSID_20584

Ethanol, >=99.5%

Ethanol, technical grade, 93%

Ethanol, technical grade, 99%

Ethyl alcohol & water, 5%

Health Smart Instant Hand Sanitizer With Aloe Vera and Vitamin E

Health Smart Instant Hand Sanitizer With Aloe Vera and Vitamin E Lavender

Ihs 2000 Instant Hand Sanitizer

Mini Hand Sanitizer - Coconut and Lime

Mini Hand Sanitizer - Orange and Lemon

NSC 85228

NSC-85228

Rue 21 Asian Spice Anti-bacterial Hand Sanitizer

Rue 21 Love Cherry Blossom Anti Bacterial Hand Sanitizer

SC-25298

SDA 40-2

The Amazing Spider-man Hand Sanitizer Moisturizing With Vitamin E and Aloe

187380_SIAL

245119_SIAL

270741_SIAL

277649_SIAL

458600_SIAL

459828_SIAL

459836_SIAL

459844_SIAL

493511_SIAL

493538_SIAL

493546_SIAL

676829_SIAL

ALCOHOL 5% IN D5-W

Caswell No. 430

DSSTox_RID_75674

Endure 300 Cida Rinse Gel Antimicrobial Hand Rinse

Ethanol, 99.8%

Ethanol, tested according to Ph.Eur.

Hand Sanitizer Lil Drug Store Products, Inc.

MFCD00003568

Pier 1 Imports Melon and Mint Anti-bacterial Hand Sanitizer

SDM No. 37

ZINC12358605

[CH2Me(OH)]

AI3-01706

Ethanol, UV HPLC spectroscopic, 95%

Ethyl alcohol & water, 10%

Ethyl alcohol & water, 20%

Ethyl alcohol & water, 30%

Ethyl alcohol & water, 40%

Ethyl alcohol & water, 50%

Ethyl alcohol & water, 60%

Ethyl alcohol & water, 70%

Ethyl alcohol & water, 80%

Ethyl alcohol & water, 95%

Ethyl alcohol & water, 96%

Health Smart Instant Hand Sanitizer With Aloe Vera and Vitamin E Cucumber Melon

Health Smart Instant Hand Sanitizer With Aloe Vera and Vitamin E Peach

Instant Hand Sanitizer With Moisturizers (vitamin E and Aloe)

Pacific Garden Foam Hand Sanitizer, Fragrance Free, Dye Free

RTR-022011

Ru-Tuss Liquid (Salt/Mix)

Rue 21 Free Spirit Fresh Flowers Anti Bacterial Hand Sanitizer

TR-022011

UNII-3K9958V90M

AKOS009104571

EPA Pesticide Chemical Code 001501

Justice Love Hugs Me and You Cotton Candy Scent Anti-bacterial Hand Sanitizer

Reagent Alcohol, 70%, used for histology tissue preparation

Reagent Alcohol, 80%, used for histology tissue preparation

Reagent Alcohol, 95%, Used for histology tissue preparation

CDA 19-200

Ethanol, >50% in a non hazardous diluent

Ethanol, Reagent (Denatured SDA 3A)

Ethyl Alcohol 95% (Synthetic) FCC Grade

FEMA No. 2419

FT-0622588

FT-0625728

Health Smart Instant Hand Sanitizer With Aloe Vera and Vitamin E Sweet Pea

Pier 1 Imports Lavender Vanilla Anti-bacterial Hand Sanitizer Pier 1 Imports

Rue 21 Dream Dance Love Vanilla Spice Anti Bacterial Hand Sanitizer

64-17-5

B4 Hand Sanitizer 500 Single-use Packs

Ethanol, >=99.5%, suitable for fluorescence

Ethanol, denatured, (UK IDA standard)

I14-12648

Orchid By H E B Jasmine Tea and Basil

Vida Mia Hand Sanitizer (62%)

3 Pack Assured Instant Hand Sanitizer With Moisturizers (aloe Vera and Moisturizers)

A.B.H.C. Instant Hand Sanitizer Citrus Scent

Ethanol, >=99.5%, suitable for absorption spectrum analysis

Ethanol, technical grade, 93.8%

Ethanol, technical grade, 99.5%

Tox21_202510

3 Pack Assured Instant Hand Sanitizer With Moisturizers (vitamin E and Moisturizers) Lavender Scented

Ethyl Alcohol 95% (Grain Derived) FCC Grade

Ethyl Alcohol 95% (Synthetic) ACS/USP Grade

CAS-64-17-5

Ethanol, USP, 99.5%

Ethyl alcohol (6CI,7CI,8CI)

Reagent Alcohol, anhydrous, <=0.003% water

Reagent Alcohol, anhydrous, <=0.005% water

8000-16-6

8024-45-1

Ethanol, >=99.5%, for HPLC

Ethanol, JIS special grade, >=99.5%

Ethyl alcohol, Pure, 200 proof, HPLC/spectrophotometric grade

MCULE-8818474596

NCGC00091458-01

NCGC00091458-02

NCGC00260059-01

Vida Mia Hand Sanitizer Aloe Vera (62%)

2 Pack Assured Instant Hand Sanitizer With Moisturizers (vitamin E and Aloe)

7-11 Instant Hand Sanitizer With Aloe and Vitamin E

EINECS 200-578-6

EINECS 270-649-4

Ethanol, >=99.5%, SAJ super special grade

Ethanol, SAJ first grade, >=99.5%

68475-56-9

71076-86-3

71329-38-9

Ethanol solution, certified reference material, 2000 mug/mL in methanol

113-EP0930075A1

113-EP1441224A2

113-EP2269610A2

113-EP2269977A2

113-EP2269978A2

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2 Pack Assured Instant Hand Sanitizer With Moisturizers (vitamin E and Aloe) Lemon Scented

3 Pack Assured Instant Hand Sanitizer With Moisturizers (vitamin E and Aloe) Lemon Scented

Ethyl alcohol, Pure, 190 proof, meets USP testing specifications

Ethyl alcohol, Pure, 200 proof, meets USP testing specifications

SR-01000944357

Vida Mia Hand Sanitizer (70% V/v)

121182-78-3

Ethanol, absolute, for HPLC, >=99.8%

Ethyl Alcohol Absolute (Dehydrated) USP, BP/EP, JP Grade

Ethyl alcohol, Pure, 190 proof, for molecular biology

Ethyl alcohol, Pure, 200 proof, for molecular biology

SDM No. 37 (Salt/Mix)

Specially Denatured Alcohol, 190 proof, SDA 3C, contains Isopropanol

Specially Denatured Alcohol, 200 proof, SDA 3C, contains Isopropanol

1037-EP2269996A1

1037-EP2270002A1

1037-EP2270006A1

1037-EP2272848A1

1037-EP2274983A1

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4260-EP2295417A1

4260-EP2295426A1

4260-EP2295427A1

4260-EP2295428A2

4260-EP2295429A1

4260-EP2295432A1

4260-EP2295433A2

4260-EP2295435A1

4260-EP2295437A1

4260-EP2295441A2

4260-EP2295503A1

4260-EP2298312A1

4260-EP2298734A2

4260-EP2298735A1

4260-EP2298743A1

4260-EP2298744A2

4260-EP2298748A2

4260-EP2298750A1

4260-EP2298761A1

4260-EP2298762A2

4260-EP2298770A1

4260-EP2298775A1

4260-EP2298776A1

4260-EP2298780A1

4260-EP2301536A1

4260-EP2301538A1

4260-EP2301544A1

4260-EP2301627A1

4260-EP2301923A1

4260-EP2301928A1

4260-EP2301930A1

4260-EP2301934A1

4260-EP2301939A1

4260-EP2305250A1

4260-EP2305644A1

4260-EP2305648A1

4260-EP2305652A2

4260-EP2305660A1

4260-EP2305671A1

4260-EP2305676A1

4260-EP2305681A1

4260-EP2305682A1

4260-EP2305684A1

4260-EP2305687A1

4260-EP2305689A1

4260-EP2305695A2

4260-EP2305696A2

4260-EP2305697A2

4260-EP2305698A2

4260-EP2305769A2

4260-EP2305808A1

4260-EP2308833A2

4260-EP2308840A1

4260-EP2308841A2

4260-EP2308844A2

4260-EP2308845A2

4260-EP2308846A2

4260-EP2308848A1

4260-EP2308849A1

4260-EP2308850A1

4260-EP2308851A1

4260-EP2308852A1

4260-EP2308861A1

4260-EP2308867A2

4260-EP2308870A2

4260-EP2308872A1

4260-EP2308873A1

4260-EP2308875A1

4260-EP2308876A1

4260-EP2308879A1

4260-EP2311453A1

4260-EP2311455A1

4260-EP2311802A1

4260-EP2311803A1

4260-EP2311806A2

4260-EP2311807A1

4260-EP2311808A1

4260-EP2311821A1

4260-EP2311824A1

4260-EP2311825A1

4260-EP2311826A2

4260-EP2311829A1

4260-EP2311830A1

4260-EP2311831A1

4260-EP2311838A1

4260-EP2311840A1

4260-EP2311842A2

4260-EP2314295A1

4260-EP2314576A1

4260-EP2314586A1

4260-EP2314593A1

4260-EP2315502A1

4260-EP2316452A1

4260-EP2316824A1

4260-EP2316827A1

4260-EP2316829A1

4260-EP2316831A1

4260-EP2316835A1

4260-EP2316836A1

4260-EP2316905A1

4260-EP2316906A2

4260-EP2371813A1

4260-EP2374454A1

4260-EP2374790A1

4260-EP2377845A1

4260-EP2377849A2

4260-EP2380874A2

MolPort-001-785-844

Specially Denatured Alcohol, 190 proof, SDA 3A, contains Methanol

Specially Denatured Alcohol, 200 proof, SDA 3A, contains Methanol

Ethanol, 95.1-96.9%

Ethanol, absolute, >=99.8% (GC)

28147-EP2277868A1

28147-EP2277869A1

28147-EP2277870A1

28147-EP2295422A2

28147-EP2298305A1

28147-EP2298769A1

28147-EP2308852A1

28147-EP2308878A2

28147-EP2313400A1

28147-EP2371823A1

48516-EP2311824A1

48516-EP2311828A1

48516-EP2380568A1

Ethanol, p.a., 99.8%

Specially Denatured Alcohol, 190 proof, SDA 39C, contains Diethyl phthalate

Specially Denatured Alcohol, 200 proof, SDA 39C, contains Diethyl phthalate

Vida Mia Hand Sanitizer Aloe Vera (70% V/v)

Ethanol Fixative 80% v/v, suitable for fixing solution (blood films)

Ethanol, p.a., ACS reagent, 96%

Ethyl Alcohol Absolute (Dehydrated, Synthetic) USP, BP/EP, JP Grade

Specially Denatured Alcohol, 190 proof, SDA 23A, contains Acetone

Specially Denatured Alcohol, 190 proof, SDA 30, contains Methanol

Specially Denatured Alcohol, 200 proof, SDA 23A, contains Acetone

Specially Denatured Alcohol, 200 proof, SDA 30, contains Methanol

Specially Denatured Alcohol, 190 proof, SDA 35A, contains Ethyl acetate

Specially Denatured Alcohol, 200 proof, SDA 35A, contains Ethyl acetate

SR-01000944357-1

Ethanol, >10 - 24% in a non hazardous diluent

Ethanol, >24 - 50% in a non hazardous diluent

Ethanol, absolute, semiconductor grade PURANAL(TM) (Honeywell 17826)

Specially Denatured Alcohol, 190 proof, SDA 2B-4, contains Heptanes

Specially Denatured Alcohol, 200 proof, SDA 2B-4, contains Heptanes

Ethanol, technical grade, 92.6-93.8

Specially Denatured Alcohol, 190 proof, SDA 2B-3, contains Toluene

Specially Denatured Alcohol, 200 proof, SDA 2B-3, contains Toluene

Ethanol Calibration Kit, ampule of 10 x 1.2 mL, certified reference material

Ethanol, denatured (5 % IPA, 5 % n-propylacetate)

Ethanol, USP, 70.0-72.0%

Ethanol, USP, 94.9-96.0%

Specially Denatured Alcohol, 190 proof, SDA 40B, contains tert-Butyl alcohol and denatonium benzoate

Specially Denatured Alcohol, 200 proof, SDA 40B, contains tert-Butyl alcohol and denatonium benzoate

Ethanol, absolute, for gradient elution, sales not in Germany, >=99.9%

Ethanol, p.a., ACS reagent, 95.0%

ETHYL, 1-HYDROXY-(6CI,7CI,8CI,9CI)

ETHAN-2,2,2-D3-OL (9CI)

Ethanol, ACS reagent, 99.8, 200 proof

Ethanol, JIS special grade, 94.8-95.8%

Specially Denatured Alcohol, 190 proof, SDA 2B-4, contains n-Heptane

Specially Denatured Alcohol, 200 proof, SDA 2B-4, contains n-Heptane

Ethanol, 95.0%, (190 proof)

Ethanol, JIS first grade, 94.8-95.8%

Specially Denatured Alcohol, 190 proof, SDA 2B-5, contains n-Hexane

Specially Denatured Alcohol, 200 proof, SDA 2B-5, contains n-Hexane

Ethyl alcohol, Pure, 140 proof, Excise Tax-free, Permit for use required

Ethyl alcohol, Pure, 160 proof, Excise Tax-free, Permit for use required

Ethanol-water solutions, NIST(R) SRM(R) 1828b, six levels

Ethanol, absolute, >=99.8% (GC), sales not in Germany

Ethyl alcohol, Pure, 190 proof, ACS spectrophotometric grade, 95.0%

Ethyl alcohol, Pure, 200 proof, anhydrous, >=99.5%

InChI=1/C2H6O/c1-2-3/h3H,2H2,1H

Ethanol solution, EP, BP, 69.5-70.4%

Ethanol, suitable for 300 per JIS, >=99.5%, for residue analysis

Ethyl alcohol, Pure, 200 proof, ACS reagent, >=99.5%

Ethanol solution, NIST(R) SRM(R) 2897a, nominal mass fraction 2%

Ethanol solution, NIST(R) SRM(R) 2898a, nominal mass fraction 6%

Ethanol, suitable for 1000 per JIS, >=99.5%, for residue analysis

Ethyl alcohol, Pure, 140 proof, meets water USP testing specifications, Excise Tax-free, Permit for use required

Ethanol, puriss. p.a., absolute, >=99.8% (GC)

Ethanol solution, NIST(R) SRM(R) 2899a, nominal 25% by mass

Ethanol, absolute, for HPLC, sales not in Germany1, >=99.8% (GC)

Ethanol-water solution, NIST(R) SRM(R) 2894, nominal mass fraction 0.1%

Ethanol-water solution, NIST(R) SRM(R) 2895, nominal mass fraction 0.2%

Ethanol-water solution, NIST(R) SRM(R) 2896, nominal mass fraction 0.3%

Ethyl alcohol, Pure, 190 proof, ACS reagent, meets USP testing specifications, Excise Tax-free, Permit for use required

Ethyl alcohol, Pure, 200 proof, ACS reagent, meets USP testing specifications, Excise Tax-free, Permit for use required

Ethanol, puriss., meets analytical specification of Ph.??Eur., BP, 96% (v/v)

Ethanol-water solution, NIST(R) SRM(R) 2891, nominal mass fraction 0.02%

Ethanol-water solution, NIST(R) SRM(R) 2892, nominal mass fraction 0.04%

Ethanol-water solution, NIST(R) SRM(R) 2893, nominal mass fraction 0.08%

1E37B0D2-6209-4B03-A57D-500F3223C2DA

Ethanol-water solution, NIST(R) SRM(R) 2900, nominal 95.6% by mass

Ethanol, BioUltra, for molecular biology, >=99.8%, (absolute alcohol, without additive, A15 o1)

Ethanol, puriss., meets analytical specification of Ph.??Eur., BP, 96.0-97.2%

Ethanol standards 10% (v/v), 10 % (v/v) in H2O, analytical standard

Ethanol-80, 80 mg/dL in H2O, ampule of 5 x 5 mL, certified reference material

Ethanol, purum, absolute ethanol, denaturated with 1% cyclohexane, A15 CYCLO1, >=99.8% (based on denaturant-free substance)

Ethanol, purum, fine spirit, denaturated with 4.8% methanol, F25 METHYL1, ~96% (based on denaturant-free substance)

Ethanol, puriss. p.a., ACS reagent, prima fine spirit, without additive, F15 o1, ~96%

Ethanol, purum, fine spirit, denaturated with 2% 2-butanone, F25 MEK1, ~96% (based on denaturant-free substance)

Ethanol, puriss. p.a., ACS reagent, absolute alcohol, without additive, A15 o1, >=99.8%

Ethanol, purum, absolute ethanol, denaturated with 4.8% isopropanol, A15 IPA1, >=99.8% (based on denaturant-free substance)

Ethanol-25, 25 mg/dL in H2O, ampule of 10 x 1.2 mL, certified reference material

Ethanol-40, 40 mg/dL in H2O, ampule of 10 x 1.2 mL, certified reference material

Ethanol-50, 50 mg/dL in H2O, ampule of 10 x 1.2 mL, certified reference material

Ethanol-80, 80 mg/dL in H2O, ampule of 10 x 1.2 mL, certified reference material

Ethanol, purum, absolute ethanol, denaturated with 2% 2-butanone, A15 MEK1, >=99.8% (based on denaturant-free substance)

Ethanol-10, 10 mg/dL in H2O, pack of 10 x 1.2 mL ampules, certified reference material

Ethanol-150, 150 mg/dL in H2O, ampule of 10 x 1.2 mL, certified reference material

Ethanol-300, 300 mg/dL in H2O, ampule of 10 x 1.2 mL, certified reference material

Ethanol-500, 500 mg/dL in H2O, ampule of 10 x 1.2 mL, certified reference material

Ethanol, p.a., ACS reagent, reag. ISO, reag. Ph. Eur., 99.9%

Ethanol, absolute, semiconductor grade PURANAL(TM) (Honeywell 17833), sales not in Germany, >=99.8% (vol.)

Ethanol-20 (5 ampules/kit), 20 mg/dL in H2O, ampule of 5 x 5 mL, certified reference material

Ethanol-100 (5 ampules/kit), 100 mg/dL in H2O, ampule of 5 x 5 mL, certified reference material

Ethanol-200 (5 ampules/kit), 200 mg/dL in H2O, ampule of 5 x 5 mL, certified reference material

Ethanol-400 (5 ampules/kit), 400 mg/dL in H2O, ampule of 5 x 5 mL, certified reference material

Ethanol, puriss., over molecular sieve (H2O <=0.01%), absolute alcohol, without additive, A15 o1, >=99.8%

Ethanol, absolute, reag. ISO, reag. Ph. Eur., >=99.8% (GC), liquid (clear, colorless)

Ethanol, purum, secunda spirit, denaturated with 2% 2-butanone and 0.5% 4-methyl-2-pentanone, S15, ~96% (based on denaturant-free substance)

Ethanol-20 (10 ampules/kit), 20 mg/dL in H2O, ampule of 10 x 1.2 mL, certified reference material

Ethanol-100 (10 ampules/kit), 100 mg/dL in H2O, ampule of 10 x 1.2 mL, certified reference material

Ethanol-200 (10 ampules/kit), 200 mg/dL in H2O, ampule of 10 x 1.2 mL, certified reference material

Ethanol-400 (10 ampules/kit), 400 mg/dL in H2O, ampule of 10 x 1.2 mL, certified reference material

Specially Denatured Alcohol, 190 proof, SDA 40 (40-2), contains 0.14 % (v/v) tert-Butyl alcohol and Brucine sulfate

Specially Denatured Alcohol, 200 proof, SDA 40 (40-2), contains 0.14 % (v/v) tert-Butyl alcohol and Brucine sulfate

Ethanol, absolute, denaturated with 0.5-1.5 Vol.% 2-butanone and approx. 0.001% Bitrex (GC), >=98% (GC)

IUPAC name

ethanol

SMILES

CCO

Inchi

InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3

Formula

CH₃CH₂OH

PubChem ID

702

Molweight

46.069

LogP

-0.16

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

Alcohols

mVOC Specific Details

Volatilization

The Henry's Law constant for ethanol is 5X10-6 atm-cu m/mole(SRC)(1). This Henry's Law constant indicates that ethanol is expected to volatilize from water surfaces(2). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec)(2) is estimated as 5 days(SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(2) is estimated as 39 days(SRC). Ethanol's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). The potential for volatilization of ethanol from dry soil surfaces may exist(SRC) based upon an extrapolated vapor pressure of 59.3 mm Hg(3).
Literature: (1) Gaffney JS et al; Environ Sci Technol 21: 519-23 (1987) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (3) Daubert TE, Danner RP; Physical and Thermodynamic Properties of Pure Chemicals Data Compilation Washington, DC: Taylor and Francis (1989)

Soil Adsorption

A log Koc of 0.44 has been reported for ethanol(2), corresponding to a Koc of 2.75(SRC). According to a classification scheme(2), this estimated Koc value suggests that ethanol is expected to have very high mobility in soil. Ethanol leaching was measured using a shallow sand and gravel test aquifer in Merrick Co, central Platte Valley, Nebraska which was subjected to a pulse containing 220 mg/L ethanol and 12 mg/L bromide and monitored for 2.5 months. Transport was not retarded. An average first-order decay constant was estimated of be 0.32/day, corresponding to a half-life of 2.2 days(3). A sorption coefficient on a snow surface was reported as log K = -3.04 (cu m snow surface/sq m air) at -6.8 deg C(4).
Literature: (1) Schuurmann G et al; Environ Sci Technol 40: 7005-11 (2006) (2) Swann RL et al; Res Rev 85: 17-28 (1983) (3) Zhang Y et al; J Contam Hydrol 82: 183-194 (2006) (4) Roth CM et al; Environ Sci Technol 38: 4078-4084 (2004)

Vapor Pressure

Pressure	Reference
59.3 mm Hg at 25 deg C /Extrapolated/	Daubert, T.E., R.P. Danner. Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, D.C.: Taylor and Francis, 1989.

MS-Links

MS-MS Spectrum 6129 - EI-B (HITACHI RMU-7M) Positive

MS-MS Spectrum 21058

1D-NMR-Links

1D NMR Spectrum 1148 - Bruker 400 MHz 13C NMR

1D NMR Spectrum 1087 - Varian 600 MHz 1H NMR

1D NMR Spectrum 4986

1D NMR Spectrum 4985

1D NMR Spectrum 2559 - JEOL 90 MHz 1H NMR

1D NMR Spectrum 3257 - Varian 25.16 MHz 13C NMR

Microorganisms emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Fungi	Tuber Aestivum	n/a	Prof. Mattia Bentivenga (UniversitÃ di Perugia, Perugia, Italy) and in the fortywoodland of the Basilicata region	Mauriello et al., 2004
Fungi	Tuber Borchii	n/a	Prof. Mattia Bentivenga (UniversitÃ di Perugia, Perugia, Italy) and in the fortywoodland of the Basilicata region	Mauriello et al., 2004
Fungi	Tuber Brumale	n/a	Prof. Mattia Bentivenga (UniversitÃ di Perugia, Perugia, Italy) and in the fortywoodland of the Basilicata region	Mauriello et al., 2004
Fungi	Tuber Excavatum	n/a	Prof. Mattia Bentivenga (UniversitÃ di Perugia, Perugia, Italy) and in the fortywoodland of the Basilicata region	Mauriello et al., 2004
Fungi	Tuber Melanosporum	n/a	Prof. Mattia Bentivenga (UniversitÃ di Perugia, Perugia, Italy) and in the fortywoodland of the Basilicata region	Mauriello et al., 2004
Bacteria	Arthrobacter Agilis UMCV2	na	rhizosphere of maize plants	VelÃ¡zquez-Becerra et al.,2011
Bacteria	Bacillus Amyloliquefaciens IN937a	n/a		Lee et al., 2012
Bacteria	Bacillus Subtilis GB03	n/a		Lee et al., 2012
Bacteria	Clostridium Sp.	n/a		Stotzky and Schenk, 1976
Bacteria	Enterobacter Cloacae	n/a		Arnold and Senter, 1998
Bacteria	Escherichia Coli	n/a		Bunge et al., 2008
Bacteria	Klebsiella Pneumoniae	n/a		Arnold and Senter, 1998
Bacteria	L Isteria Monocytogenes	n/a		Arnold and Senter, 1998
Bacteria	Lactobacillus Fermentum LSL 205	na	na	PogaÄiÄ‡ et al., 2016
Bacteria	Paenibacillus Polymyxa E681	n/a		Lee et al., 2012
Bacteria	Pseudomonas Simiae AU	na	rhizosphere of a soybean field in the province of Rajasthan, India	Vaishnav et al., 2016
Bacteria	Salmonella Enterica	n/a		Bunge et al., 2008
Bacteria	Salmonella Enteritidis	n/a		Arnold and Senter, 1998
Bacteria	Serratia Spp. B2675	n/a		Bruce et al., 2004
Bacteria	Serratia Spp. B675	n/a		Bruce et al., 2004
Bacteria	Shigella Flexneri	n/a		Bunge et al., 2008
Bacteria	Staphylococcus Aureus	n/a		Jia et al., 2010
Bacteria	Thermoactinomyces Vulgaris DSM 43016	na	soil	Wilkins, 1996
Fungi	Aerobasidium Pullulans	Inhibited growth of fungi( Aspergillus niger). Has no effect on bacteria. Stimulation of rhizomorph production of Armillaria mellea.		Stotzky and Schenk, 1976
Fungi	Ascocoryne Sarcoides NRRL 50072	n/a		Mallette et al. 2012
Fungi	Aspergillus Fumigatus Strain FGSC A1163			Heddergott et al. 2014
Fungi	Boletus Variegatus	Inhibited growth of fungi( Aspergillus niger). Has no effect on bacteria. Stimulation of rhizomorph production of Armillaria mellea.		Stotzky and Schenk, 1976
Fungi	Candida Shehatae		cacti, fruits, insects, natural habitats	Nout and Bartelt 1998
Fungi	Candida Tropicalis	n/a		Bunge et al., 2008
Fungi	Ceratocystis Fagacearum			Lin and Phelan 1992
Fungi	Ceratocystis Sp.	Inhibited growth of fungi( Aspergillus niger). Has no effect on bacteria. Stimulation of rhizomorph production of Armillaria mellea.		Stotzky and Schenk, 1976
Fungi	Fomes Sp.	Inhibited growth of fungi( Aspergillus niger). Has no effect on bacteria. Stimulation of rhizomorph production of Armillaria mellea.		Stotzky and Schenk, 1976
Fungi	Fusarium Sp			Pierce et al. 1991
Fungi	Muscodor Albus CZ-620	n/a		Corcuff et al., 2011
Fungi	Muscodor Crispans	n/a		Mitchell et al., 2010
Fungi	Neurospora Sitophila ATCC 46892	n/a		Pastore et al.,1994
Fungi	Neurospora Sp.	n/a		Pastore et al., 1994
Fungi	Ogataea Pini	na	mycangia of Dendroctonus brevicomis	Davis et al., 2011
Fungi	Penicillium Aurantiogriseum	n/a		Boerjesson et al., 1990
Fungi	Penicillium Camemberti			Larsen 1998
Fungi	Penicillium Caseifulvum			Larsen 1998
Fungi	Penicillium Corymbiferum			Pierce et al. 1991
Fungi	Phoma Sp.	n/a		Strobel et al., 2014
Fungi	Saccharomyces Cerevisiae	Inhibited growth of fungi( Aspergillus niger). Has no effect on bacteria. Stimulation of rhizomorph production of Armillaria mellea.		Stotzky and Schenk, 1976
Fungi	Saccharomyces Cerevisiae CR1	control citrus black spot disease	fermentation processes	Toffano et al. 2017
Fungi	Saccharomyces Cerevisiae Y1001	n/a		Bruce et al., 2004
Fungi	Scolulariopsis Brevicaulis			Pierce et al. 1991
Fungi	Thielaviopsis Basicola	Inhibited growth of fungi( Aspergillus niger). Has no effect on bacteria. Stimulation of rhizomorph production of Armillaria mellea.		Stotzky and Schenk, 1976
Fungi	Trichodema Pseudokoningii	n/a		Wheatley et al., 1997
Fungi	Trichodema Viride	n/a		Wheatley et al., 1997
Fungi	Trichoderma Sp.	Inhibited growth of fungi( Aspergillus niger). Has no effect on bacteria. Stimulation of rhizomorph production of Armillaria mellea.		Stotzky and Schenk, 1976
Fungi	Trichoderma Viride	n/a		Hung et al., 2013
Fungi	Tuber Simonea	None	None	March et al., 2006
Fungi	Tuber Aestivum	n/a	Ayme Truffe of Grignan, 26230 France	March et al., 2006
Fungi	Tuber Brumale	n/a	Ayme Truffe of Grignan, 26230 France	March et al., 2006
Fungi	Tuber Melanosporum	n/a	Ayme Truffe of Grignan, 26230 France	March et al., 2006
Fungi	Tuber Mesentericum	n/a	Ayme Truffe of Grignan, 26230 France	March et al., 2006
Fungi	Tuber Miesentericum	None	None	March et al., 2006
Fungi	Tuber Rufum	n/a	Ayme Truffe of Grignan, 26230 France	March et al., 2006
Fungi	Tuber Simonea	n/a	Ayme Truffe of Grignan, 26230 France	March et al., 2006

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Fungi	Tuber Aestivum	n/a	microextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)
Fungi	Tuber Borchii	n/a	microextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)
Fungi	Tuber Brumale	n/a	microextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)
Fungi	Tuber Excavatum	n/a	microextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)
Fungi	Tuber Melanosporum	n/a	microextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)
Bacteria	Arthrobacter Agilis UMCV2	LB medium	SPME-GC/MS	No
Bacteria	Bacillus Amyloliquefaciens IN937a	Tryptic soy agar	SPME coupled with GC-MS
Bacteria	Bacillus Subtilis GB03	Tryptic soy agar	SPME coupled with GC-MS
Bacteria	Clostridium Sp.	n/a	n/a
Bacteria	Enterobacter Cloacae		HS-SPME/GC-MS
Bacteria	Escherichia Coli	n/a	n/a
Bacteria	Klebsiella Pneumoniae	TS broth	HS-SPME/GC-MS
Bacteria	L Isteria Monocytogenes		HS-SPME/GC-MS
Bacteria	Lactobacillus Fermentum LSL 205	curd-based broth medium	GC/MS	Yes
Bacteria	Paenibacillus Polymyxa E681	Tryptic soy agar	SPME coupled with GC-MS
Bacteria	Pseudomonas Simiae AU	Nutrient broth; King's B agar	GC/MS	No
Bacteria	Salmonella Enterica	n/a	n/a
Bacteria	Salmonella Enteritidis		HS-SPME/GC-MS
Bacteria	Serratia Spp. B2675	n/a	n/a
Bacteria	Serratia Spp. B675	n/a	n/a
Bacteria	Shigella Flexneri	n/a	n/a
Bacteria	Staphylococcus Aureus	Mueller Hinton broth	HS-SPME/GC-MS
Bacteria	Thermoactinomyces Vulgaris DSM 43016	Nutrient agar CM3	GC/MS
Fungi	Aerobasidium Pullulans	n/a	n/a
Fungi	Ascocoryne Sarcoides NRRL 50072	Minimal medium	PTR-MS and SPME GC-MS
Fungi	Aspergillus Fumigatus Strain FGSC A1163	Brian`s broth, AMM, RPMI 1657	SPME / GC-MS
Fungi	Boletus Variegatus	n/a	n/a
Fungi	Candida Shehatae	yeast malt agar	SPME, GC-MS	yes
Fungi	Candida Tropicalis	n/a	n/a
Fungi	Ceratocystis Fagacearum			no
Fungi	Ceratocystis Sp.	n/a	n/a
Fungi	Fomes Sp.	n/a	n/a
Fungi	Fusarium Sp		GC-FID	yes
Fungi	Muscodor Albus CZ-620	n/a	Headspace sampler/GC-MS
Fungi	Muscodor Crispans	potato dextrose agar	SPME-GC-MS
Fungi	Neurospora Sitophila ATCC 46892	Malt extract	Headspace/gas chromatography
Fungi	Neurospora Sp.	potato dextrose agar	dynamic headspace/gas chromatography
Fungi	Ogataea Pini	MEA	GC/MS
Fungi	Penicillium Aurantiogriseum	n/a	n/a
Fungi	Penicillium Camemberti			no
Fungi	Penicillium Caseifulvum			no
Fungi	Penicillium Corymbiferum		GC-FID	yes
Fungi	Phoma Sp.	n/a	Solid phase microextraction (SPME)
Fungi	Saccharomyces Cerevisiae	n/a	n/a
Fungi	Saccharomyces Cerevisiae CR1	YEPDA	GC/MS	no
Fungi	Saccharomyces Cerevisiae Y1001	n/a	n/a
Fungi	Scolulariopsis Brevicaulis		GC-FID	yes
Fungi	Thielaviopsis Basicola	n/a	n/a
Fungi	Trichodema Pseudokoningii	Malt extract/Low medium	GC/MS
Fungi	Trichodema Viride	Malt extract/Low medium	GC/MS
Fungi	Trichoderma Sp.	n/a	n/a
Fungi	Trichoderma Viride	Malt extract agar	Headspace volatiles collected with colomn/TD-GC-MS
Fungi	Tuber Simonea	None	Pressure balanced head-space sampling and GC/TOF-MS	No
Fungi	Tuber Aestivum	n/a	Pressure balanced head-space sampling and GC/TOF-MS
Fungi	Tuber Brumale	n/a	Pressure balanced head-space sampling and GC/TOF-MS
Fungi	Tuber Melanosporum	n/a	Pressure balanced head-space sampling and GC/TOF-MS
Fungi	Tuber Mesentericum	n/a	Pressure balanced head-space sampling and GC/TOF-MS
Fungi	Tuber Miesentericum	None	Pressure balanced head-space sampling and GC/TOF-MS	No
Fungi	Tuber Rufum	n/a	Pressure balanced head-space sampling and GC/TOF-MS
Fungi	Tuber Simonea	n/a	Pressure balanced head-space sampling and GC/TOF-MS

Methanethiol

Mass-Spectra

Compound Details

Synonymous names

Methylmercaptaan

Mercaptomethane

Metilmercaptano

methylsulfanium

Methylmercaptan

Methaanthiol

Thiomethanol

methanethiol

Methanethiole

Thiomethane

Mercaptan methylique

Methanthiol

Methvtiolo

(Mercaptomethyl)polystyrene

LSDPWZHWYPCBBB-UHFFFAOYSA-N

Methyl sulfhydrate

Thiomethyl alcohol

Methyl thioalcohol

METHYL MERCAPTAN

methyl-mercaptan

methane thiol

methyl thiol

methyl-thiol

Methanethiol, purum

CH3SH

Methanethiol-S-d

Mercaptan C1

Metilmercaptano [Italian]

Metilmercaptano [Spanish]

Methylmercaptaan [Dutch]

Methanthiol [German]

Methvtiolo [Italian]

Z22

Mercaptan methylique [French]

AC1L1A8B

Methaanthiol [Dutch]

Methyl mercaptan (natural)

UN1064

CTK2H7493

HSDB 813

HMDB03227

C00409

2X8406WW9I

RCRA waste number U153

OR332408

NSC229573

OR000105

OR164971

OR230018

OR230158

UN 1064

DTXSID5026382

Methanethiol, >=98.0%

LS-2938

CHEBI:16007

UNII-2X8406WW9I

Methanethiol, 98.0%

AN-23827

SC-46829

NSC-229573

AKOS009157032

RCRA waste no. U153

BRN 1696840

FEMA No. 2716

FT-0696326

74-93-1

EINECS 200-822-1

63933-47-1

17719-48-1

InChI=1/CH4S/c1-2/h2H,1H

Methyl mercaptan [UN1064] [Poison gas]

(Mercaptomethyl)polystyrene, extent of labeling: ~2.0 mmol/g S loading

5188-07-8 (hydrochloride salt)

Methyl mercaptan [UN1064] [Poison gas]

4-01-00-01273 (Beilstein Handbook Reference)

21094-80-4 (mercury(2+) salt)

35029-96-0 (lead(2+) salt)

IUPAC name

methanethiol

SMILES

Inchi

InChI=1S/CH4S/c1-2/h2H,1H3

Formula

CH₄S

PubChem ID

878

Molweight

48.1

LogP

0.84

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

Thiols sulfur compounds

mVOC Specific Details

Volatilization

The Henry's Law constant for methyl mercaptan is estimated as 0.0031 atm-cu m/mole(SRC) derived from its vapor pressure, 1,510 mm Hg(1), and water solubility, 15,400 mg/L(2). This Henry's Law constant indicates that methyl mercaptan is expected to volatilize rapidly from water surfaces(3). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec)(3) is estimated as 0.8 hours(SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(3) is estimated as 2.8 days(SRC). Methyl mercaptan's Henry's Law constant indicates that volatilization from moist soil surfaces is expected to occur(SRC). Methyl mercaptan is expected to volatilize rapidly from dry soil surfaces based upon its vapor pressure and because it is a gas a temperatures above 6 deg C(SRC). However, gaseous methyl mercaptan gas has been found to strongly adsorb to moist and dry soil surfaces suggesting that adsorption might be an environmental sink for methyl mercaptan(4). Therefore, the importance of volatilization from soil surfaces may be attenuated by adsorption(SRC).
Literature: (1) Daubert TE, Danner RP; Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, DC: Taylor and Francis (1989) (2) Hine J, Mookerjee PK; J Org Chem 40: 292-8 (1975) (3) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (4) Smith KA et al; Soil Sci 116: 313-9 (1973)

Soil Adsorption

Using a structure estimation method based on molecular connectivity indices(1), the Koc of methyl mercaptan can be estimated to be 13(SRC). According to a classification scheme(2), this estimated Koc value suggests that methyl mercaptan is expected to have very high mobility in soil. Gaseous methyl mercaptan has been observed to partition to soils(3). For example, when gaseous methyl mercaptan was passed over six air-dried and moist (50% field capacity) soils, 2.4-32.1 mg/g and 2.2-21.4 mg/g of methyl mercaptan rapidly adsorbed to the dry and moist soils, respectively(3). Neither the capacity or rate of sorption was correlated to soil pH, organic matter content, or clay content; sterile controls ruled out the involvement of microorganisms(3); it was suggested that adsorption to soil surfaces might be an environmental sink for gaseous methyl mercaptan(3).
Literature: (1) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.1. Jan, 2011. Available from, as of July 19, 2012: http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm (2) Swann RL et al; Res Rev 85: 17-28 (1983) (3) Smith KA et al; Soil Sci 116: 313-9 (1973)

Vapor Pressure

Pressure	Reference
1,510 mm Hg at 25 deg C	Daubert, T.E., R.P. Danner. Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, D.C.: Taylor and Francis, 1989.

MS-Links

MS-Links

Microorganisms emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Bacteria	Alcaligenes Faecalis	n/a		Schulz and Dickschat, 2007
Bacteria	Alpha Proteobacteria Group	n/a		Schulz and Dickschat, 2007
Bacteria	Bacillus Amyloliquefaciens IN937a	n/a		Lee et al., 2012
Bacteria	Bacillus Subtilis GB03	n/a		Lee et al., 2012
Bacteria	Brevibacterium Linens	n/a		Schulz and Dickschat, 2007
Bacteria	Citrobacter Freundii	n/a		Schulz and Dickschat, 2007
Bacteria	Desulfovibrio Acrylicus	n/a		Schulz and Dickschat, 2007
Bacteria	Escherichia Coli	n/a		Bunge et al., 2008
Bacteria	Fusobacterium Nucleatum	n/a		Schulz and Dickschat, 2007
Bacteria	Gamma Proteobacteria	n/a		Schulz and Dickschat, 2007
Bacteria	Klebsiella Pneumoniae ATCC 13883			Rees et al. 2017
Bacteria	Lactobacillus Brevis	n/a		Schulz and Dickschat, 2007
Bacteria	Lactobacillus Hilgardii	n/a		Schulz and Dickschat, 2007
Bacteria	Lactobacillus Lactis	n/a		Schulz and Dickschat, 2007
Bacteria	Lactobacillus Plantarum	n/a		Schulz and Dickschat, 2007
Bacteria	Lactobacillus Sp.	n/a		Schulz and Dickschat, 2007
Bacteria	Lactococcus Sp.	n/a		Schulz and Dickschat, 2007
Bacteria	Oenococcus Oeni	n/a		Schulz and Dickschat, 2007
Bacteria	Paenibacillus Polymyxa E681	n/a		Lee et al., 2012
Bacteria	Parasporobacterium Paucivorans	n/a		Schulz and Dickschat, 2007
Bacteria	Porphyromonas Gingivalis	n/a		Schulz and Dickschat, 2007
Bacteria	Pseudomonas Putida KT 2442	na	na	Schoeller et al., 1997
Bacteria	Pseudomonas Putida USB2105	na	rhizosphere of bean plants, southern Italy	Giorgio et al., 2015
Bacteria	Pseudomonas Tolaasii NCPPB 2192	na	na	Cantore et al., 2015
Bacteria	Pseudomonas Tolaasii USB1	na	na	Cantore et al., 2015
Bacteria	Pseudomonas Tolaasii USB66	na	na	Cantore et al., 2015
Bacteria	Ralstonia Solanacearum	na	na	Spraker et al., 2014
Bacteria	Salmonella Enterica	n/a		Bunge et al., 2008
Bacteria	Shigella Flexneri	n/a		Bunge et al., 2008
Bacteria	Treponema Denticola	n/a		Schulz and Dickschat, 2007
Fungi	Candida Tropicalis	n/a		Bunge et al., 2008
Fungi	Tuber Magnatum	n/a	Italian geographical areas (Piedmont, Marche, Emilia Romagna, Border region area between Emilia Romagna and Marche)	Gioacchini et al., 2008
Bacteria	Klebsiella Pneumoniae ATCC 13883			Rees et al. 2016
Bacteria	Streptococcus Pneumoniae		clinic	Preti., 2009
Fungi	Schizophyllum Commune	n/a		Stotzky and Schenk, 1976
Bacteria	Pseudomonas Perolens ATCC 10757	na	sterile fish muscle (Sebastes melanops)	Miller et al., 1973

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Bacteria	Alcaligenes Faecalis	n/a	n/a
Bacteria	Alpha Proteobacteria Group	n/a	n/a
Bacteria	Bacillus Amyloliquefaciens IN937a	Tryptic soy agar	SPME coupled with GC-MS
Bacteria	Bacillus Subtilis GB03	Tryptic soy agar	SPME coupled with GC-MS
Bacteria	Brevibacterium Linens	n/a	n/a
Bacteria	Citrobacter Freundii	n/a	n/a
Bacteria	Desulfovibrio Acrylicus	n/a	n/a
Bacteria	Escherichia Coli	n/a	n/a
Bacteria	Fusobacterium Nucleatum	n/a	n/a
Bacteria	Gamma Proteobacteria	n/a	n/a
Bacteria	Klebsiella Pneumoniae ATCC 13883	LB	SPME / GCxGC-TOFMS	no
Bacteria	Lactobacillus Brevis	n/a	n/a
Bacteria	Lactobacillus Hilgardii	n/a	n/a
Bacteria	Lactobacillus Lactis	n/a	n/a
Bacteria	Lactobacillus Plantarum	n/a	n/a
Bacteria	Lactobacillus Sp.	n/a	n/a
Bacteria	Lactococcus Sp.	n/a	n/a
Bacteria	Oenococcus Oeni	n/a	n/a
Bacteria	Paenibacillus Polymyxa E681	Tryptic soy agar	SPME coupled with GC-MS
Bacteria	Parasporobacterium Paucivorans	n/a	n/a
Bacteria	Porphyromonas Gingivalis	n/a	n/a
Bacteria	Pseudomonas Putida KT 2442	AB medium + 1% citrate or 0,02% citrate or 1% glucose +1% casaminoacid	GC-FID,GC/MS
Bacteria	Pseudomonas Putida USB2105	King's B Agar	SPME-GC/MS	No
Bacteria	Pseudomonas Tolaasii NCPPB 2192	KB	SPME-GC
Bacteria	Pseudomonas Tolaasii USB1	KB	SPME-GC
Bacteria	Pseudomonas Tolaasii USB66	KB	SPME-GC
Bacteria	Ralstonia Solanacearum	Casamino Acid Peptone Glucose agar	SPME-GC/MS	No
Bacteria	Salmonella Enterica	n/a	n/a
Bacteria	Shigella Flexneri	n/a	n/a
Bacteria	Treponema Denticola	n/a	n/a
Fungi	Candida Tropicalis	n/a	n/a
Fungi	Tuber Magnatum	n/a	microextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)
Bacteria	Klebsiella Pneumoniae ATCC 13883	LB	GCxGC-TOF-MS	no
Bacteria	Streptococcus Pneumoniae	Blood agar/chocolate blood aga	HS-SPME/GC-MS	no
Fungi	Schizophyllum Commune	n/a	n/a
Bacteria	Pseudomonas Perolens ATCC 10757	Trypticase soil agar (BBL)	GC/MS

3-methylbutan-1-ol

Mass-Spectra

Compound Details

Synonymous names

Isobutylcarbinol

isopentylalcohol

Isopentylalkohol

ISOAMYLALCOHOL

Isopentanol

Alcool isoamylique

Fuseloel

Isoamylol

Isobutyl carbinol

Isopentyl alcohol

PHTQWCKDNZKARW-UHFFFAOYSA-N

Amylowy alkohol

Fermentation amyl alcohol

Iso-amylalkohol

Isoamyl alcohol

Isoamyl alkohol

isoamyl-alcohol

Alcool amilico

Primary isoamyl alcohol

3-methylbutanoI

3-Methylbutanol

Fusel Oil

AC1Q7CHF

Iso-amyl alcohol

potato-spirit oil

ACMC-1ADLL

Huile de fusel

i-Amyl Alcohol

Isoamyl alcohol, primary

3-Methylbutanol, analytical standard

DEM9NIT1J4

3-methyl butanol

3-methyl-Butanol

3-Metil-butanolo

AC1L1L9D

AC1Q1PG0

ISOAMYL ALCOHOL, ACS

Alcool isoamylique [French]

isopentan-1-ol

UNII-DEM9NIT1J4

Alcool amilico [Italian]

Amylowy alkohol [Polish]

Iso-amylalkohol [German]

Isoamyl alcohol (natural)

KSC175S7D

1-Hydroxy-3-Methylbutane

7340AF

Isoamyl alkohol [Czech]

NATURAL ISOAMYL ALCOHOL - TECHNICAL GRADE

NSC1029

NSC7905

CTK0H5971

HMDB06007

HSDB 605

I0289

Isoamyl alcohol (primary and secondary)

NATURAL ISOAMYL ALCOHOL P & F

QSPL 002

3-methylbutane-1-ol

CHEMBL372396

DB02296

Isopentyl alcohol (8CI)

2-Methyl-4-butanol

3-methyl 1-butanol

3-Methyl-1-butanol

3-Methylbutan-1-ol

C07328

CCRIS 8806

ZINC896830

DTXSID3025469

FEMA Number 2057

Jsp001579

LP092178

LS-2837

NSC 1029

NSC-1029

NSC-7905

OR034211

OR210114

STL282718

UNII-2NK7O363Q6 component PHTQWCKDNZKARW-UHFFFAOYSA-N

ZB015111

3-Metil-butanolo [Italian]

Butanol, 3-methyl-

CHEBI:15837

DSSTox_CID_5469

3-Methyl-1-butanol, analytical standard

AN-22920

ANW-18132

DSSTox_GSID_25469

Isoamyl alcohol (3-methyl butanol)

KB-70935

3-Methyl-Butan-1-Ol

DSSTox_RID_77799

LMFA05000108

Magnesium bis(3-methylbutan-1-olate)

Methyl-3-butan-1-ol

MFCD00002934

ZINC00896830

AI3-15288

Isoamyl alcohol, >=98%, FG

RTR-003692

TR-003692

3-METHYL-1-BUTANOL, REAG

AKOS000118739

FEMA No. 2057

FT-0616032

TRA-0206228

1-Butanol, 3-methyl-

3-Methyl-1-butanol, mixture of isomers

Butan-1-ol, 3-methyl

I14-14690

Z955123582

Isoamyl alcohol, natural, >=98%, FG

Tox21_302359

WLN: Q2Y1 & 1

123-51-3

F0001-0367

3-Methyl-1-butanol, 98%

3-METHYL-BUTAN-(1)-OL

6423-06-9

MCULE-7411270401

NCGC00255329-01

CAS-123-51-3

EINECS 204-633-5

EINECS 229-179-5

3-Methyl-1-butanol, anhydrous, >=99%

3-Methyl-1-butanol, United States Pharmacopeia (USP) Reference Standard

3-Methyl-1-butanol, technical grade, 95%

3-Methylbutanol, BioReagent, for molecular biology, >=98.5%

1973-EP2281899A2

1973-EP2316937A1

3-Methyl-1-butanol, LR, >=98%

3-Methyl-1-butanol, reagent grade, 98%

MolPort-001-793-103

123-51-3 (Parent)

74374-EP2269986A1

74374-EP2308857A1

74374-EP2380568A1

3-Methyl-1-butanol, biotech. grade, >=99%

3-Methyl-1-butanol, ReagentPlus(R), >=99%

117932-EP2287147A2

117932-EP2298768A1

6423-06-9 (magnesium salt)

3-Methyl-1-butanol, ACS reagent, >=98.5%

3-Methyl-1-butanol, JIS special grade, >=98.0%

3-Methyl-1-butanol, SAJ first grade, >=96.0%

3-Methylbutanol, BioUltra, for molecular biology, >=99.0% (GC)

3-Methyl-1-butanol, p.a., 99.8%

3-Methyl-1-butanol, ACS, 98.5% min. 500ml

3-Methylbutanol, puriss. p.a., ACS reagent, >=98.5% (GC)

3-Methylbutanol, p.a., ACS reagent, reag. ISO, reag. Ph. Eur., 98.5%

InChI=1/C5H12O/c1-5(2)3-4-6/h5-6H,3-4H2,1-2H

IUPAC name

3-methylbutan-1-ol

SMILES

CC(C)CCO

Inchi

InChI=1S/C5H12O/c1-5(2)3-4-6/h5-6H,3-4H2,1-2H3

Formula

(CH₃)₂CHCH₂CH₂OH

PubChem ID

31260

Molweight

88.15

LogP

1.09

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

Alcohols Alcohol

mVOC Specific Details

Volatilization

The Henry's Law constant for isopentanol is 1.41X10-5 atm-cu m/mol(1). Using this value for the Henry's Law constant, one can estimate that the volatilization half-life of isopentanol in a model river 1 m deep flowing at 1 m/s with a wind speed of 3 m/s is 2.55 days(2). Similarly, the half-life of isopentanol in a model lake 1 m deep with a 0.05 m/s current and a 0.5 m/s wind is 21 days(2). In view of isopentanol's relatively high vapor pressure, 2.37 mm Hg at 25 deg C(3) and moderate Henry's Law constant and low adsorptivity to soil, isopentanol would be expected to volatilize from dry and moist soil(SRC).
Literature: (1) Butler JAV et al; J Chem Soc 1935: 280-5 (1935) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. NY: McGraw-Hill Chapt 15 (1982) (3) Riddick JA et al; Organic Solvents 4th ed; pp. 221-2 NY: Wiley (1986)

Soil Adsorption

The Koc for isopentanol estimated from its water solubility, 26.7 mg/L(1), using recommended regression equations are 720(2) and 679(4). However, the chemicals used in developing these equations were mainly pesticides and their structures are not similar to isopentanol. The Koc for isopentanol estimated from molecular structure is 4(3). This should be a reasonable estimate for the Koc because it is close to the experimental value for the structurally similar chemical, 1-pentanol, 1.6(6). According to a suggested classification scheme(5), the estimated Kocs based on molecular structure suggests that isopentanol is very highly mobile in soil(SRC).
Literature: (1) Riddick JA et al; Organic Solvents 4th ed; pp. 211-2 NY: Wiley (1986) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. NY: McGraw-Hill Chapt 4 (1982) (3) Meylan WM et al; Environ Sci Technol 26: 1560-7 (1992) (4) Wauchope RD et al; Rev Environ Contam Toxicol 123: 1-155 (1991) (5) Swann RL et al; Res Rev 85: 17-28 (1983) (6) Gerstl Z, Helling CS; J Environ Sci Health B22: 55-69 (1987)

Vapor Pressure

Pressure	Reference
2.37 mm Hg @ 25 deg C	Riddick, J.A., W.B. Bunger, Sakano T.K. Techniques of Chemistry 4th ed., Volume II. Organic Solvents. New York, NY: John Wiley and Sons., 1985., p. 211

MS-Links

1D-NMR-Links

Microorganisms emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Bacteria	Bacillus Amyloliquefaciens IN937a	n/a		Lee et al., 2012
Bacteria	Bacillus Subtilis GB03	n/a		Lee et al., 2012
Bacteria	Chryseobacterium Sp. AD48	na	na	Tyc et al., 2015
Bacteria	Legionella Pneumophila	could serve as potential biomarkers to distinguish between viruses and bacteria		Qader et al., 2015
Bacteria	Paenibacillus Polymyxa E681	n/a		Lee et al., 2012
Fungi	Ascocoryne Sarcoides NRRL 50072	n/a		Mallette et al. 2012
Fungi	Muscodor Albus CZ-620	n/a		Corcuff et al., 2011
Fungi	Muscodor Albus CZ-621		rye grains	Corcuff et al., 2011
Fungi	Muscodor Crispans		Wild pineapple plant, Ananas ananassoides	Mitchell et al., 2010
Fungi	Phoma Sp.	n/a		Strobel et al., 2014
Fungi	Phomopsis Sp.	na	endophyte of Odontoglossum sp.	Singh et al., 2011
Fungi	Trichoderma Atroviride	n/a		Crutcher et al., 2013
Fungi	Trichoderma Virens	n/a		Crutcher et al., 2013
Bacteria	Arthrobacter Agilis UMCV2	na	rhizosphere of maize plants	VelÃ¡zquez-Becerra et al.,2011
Fungi	Aspergillus Flavus	n/a		Stotzky and Schenk, 1976
Fungi	Boletus Variegatus	n/a		Stotzky and Schenk, 1976
Fungi	Neurospora Sitophila ATCC 46892	n/a		Pastore et al.,1994
Fungi	Neurospora Sp.	n/a		Pastore et al.,1994
Bacteria	Bacillus Cereus B-569	n/a		Blom et al., 2011
Bacteria	Burkholderia Andropogonis LMG 2129	n/a		Blom et al., 2011
Bacteria	Burkholderia Anthina LMG 20980	n/a		Blom et al., 2011
Bacteria	Burkholderia Caledonica LMG 19076	n/a		Blom et al., 2011
Bacteria	Burkholderia Caryophylli LMG 2155	n/a		Blom et al., 2011
Bacteria	Burkholderia Cepacia LMG 1222	n/a		Blom et al., 2011
Bacteria	Burkholderia Cepacia LMG 1222 358		Rhizosphere	Blom et al., 2011
Bacteria	Burkholderia Fungorum LMG 16225	n/a		Blom et al., 2011
Bacteria	Burkholderia Gladioli LMG 2216	n/a		Blom et al., 2011
Bacteria	Burkholderia Glathei LMG 14190	n/a		Blom et al., 2011
Bacteria	Burkholderia Glumae LMG 2196	n/a		Blom et al., 2011
Bacteria	Burkholderia Graminis LMG 18924	n/a		Blom et al., 2011
Bacteria	Burkholderia Hospita LMG 20598	n/a		Blom et al., 2011
Bacteria	Burkholderia Kururiensis LMG 19447	n/a		Blom et al., 2011
Bacteria	Burkholderia Lata LMG 22485	n/a		Blom et al., 2011
Bacteria	Burkholderia Lata LMG 6993	n/a		Blom et al., 2011
Bacteria	Burkholderia Phenazinium LMG 2247	n/a		Blom et al., 2011
Bacteria	Burkholderia Phenoliruptrix LMG 22037	n/a		Blom et al., 2011
Bacteria	Burkholderia Phytofirmans LMG 22487	n/a		Blom et al., 2011
Bacteria	Burkholderia Pyrrocinia LMG 21822	n/a		Blom et al., 2011
Bacteria	Burkholderia Sacchari LMG 19450	n/a		Blom et al., 2011
Bacteria	Burkholderia Sordidicola LMG 22029	n/a		Blom et al., 2011
Bacteria	Burkholderia Terricola LMG 20594	n/a		Blom et al., 2011
Bacteria	Burkholderia Thailandensis LMG 20219	n/a		Blom et al., 2011
Bacteria	Burkholderia Tropica LMG 22274	n/a		Blom et al., 2011
Bacteria	Burkholderia Xenovorans LMG 21463	n/a		Blom et al., 2011
Bacteria	Cellulomonas Uda	n/a		Blom et al., 2011
Bacteria	Chromobacterium Violaceum CV0	n/a		Blom et al., 2011
Bacteria	Citrobacter Freundii		American Type Culture Collection	Robacker and Bartelt 1997
Bacteria	Cupriavidus Necator LMG 1199	n/a		Blom et al., 2011
Bacteria	Enterobacter Agglomerans		Amherst collection	Epsky et al. 1998
Bacteria	Enterobacter Cloacae	n/a		Arnold and Senter, 1998
Bacteria	Enterobacter Cloacae SM 639	na	ubiquitary,intestinal	Schoeller et al., 1997
Bacteria	Escherichia Coli	n/a		Tait et al., 2014
Bacteria	Escherichia Coli ATCC15547		American Type Culture Collection (ATCC), Rockville, MD or wild strains identified at the University of Kentucky Dept. of Animal Sciences Food Microbiology Laboratory	Elgaali et al. 2002
Bacteria	Escherichia Coli OP50	n/a		Blom et al., 2011
Bacteria	Haemophilus Influenzae		humans, respiratory infections	Abd El Qader et al. 2015
Bacteria	Klebsiella Pneumoniae	n/a		Tait et al., 2014
Bacteria	Klebsiella Pneumoniae ATCC 13883			Rees et al. 2017
Bacteria	L Isteria Monocytogenes	n/a		Arnold and Senter, 1998
Bacteria	Lactobacillus Casei		fermented milk	Gallegos et al. 2017
Bacteria	Lactobacillus Lactis Subsp. Cremoris		Spanish strain collection CECT	Gallegos et al. 2017
Bacteria	Lactobacillus Lactis Subsp. Lactis		Spanish strain collection CECT	Gallegos et al. 2017
Bacteria	Lactobacillus Paracasei Subsp Paracasei		Spanish strain collection CECT	Gallegos et al. 2017
Bacteria	Legionella Pneumophila		humans, respiratory infections	Abd El Qader et al. 2015
Bacteria	Limnobacter Thiooxidans LMG 19593	n/a		Blom et al., 2011
Bacteria	Moraxella Catarrhalis		humans, respiratory infections	Abd El Qader et al. 2015
Bacteria	Mycobacterium Bovis	n/a		MCNerney et al., 2013
Bacteria	Pandoraea Norimbergensis LMG 18379	n/a		Blom et al., 2011
Bacteria	Pseudomonas Aeruginosa	n/a		Arnold and Senter, 1998
Bacteria	Pseudomonas Chlororaphis	n/a		Blom et al., 2011
Bacteria	Pseudomonas Fluorescens WCS 417r	n/a		Blom et al., 2011
Bacteria	Pseudomonas Perolens ATCC 10757	na	sterile fish muscle (Sebastes melanops)	Miller et al., 1973
Bacteria	Pseudomonas Putida ISOf	n/a		Blom et al., 2011
Bacteria	Salmonella Enteritidis	n/a		Arnold and Senter, 1998
Bacteria	Serratia Entomophilia A1MO2	n/a		Blom et al., 2011
Bacteria	Serratia Marcescens MG1	n/a		Blom et al., 2011
Bacteria	Serratia Plymuthica HRO-C48	n/a		Blom et al., 2011
Bacteria	Serratia Plymuthica IC14	n/a		Blom et al., 2011
Bacteria	Serratia Proteamaculans 42M	n/a		Ercolini et al., 2009
Bacteria	Serratia Proteamaculans B5a	n/a		Blom et al., 2011
Bacteria	Staphylococcus Aureus	n/a		Tait et al., 2014
Bacteria	Staphylococcus Epidermidis		DSMZ	Verhulst et al. 2010
Bacteria	Staphylococcus Sciuri	na	from the gut flora of pea aphid Acyrthosiphon pisum honeydew	Leroy et al., 2011
Bacteria	Stenotrophomonas Rhizophilla Ep10-p69	n/a		Blom et al., 2011
Bacteria	Streptomyces Albidoflavus AMI 246	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Albus Subsp. Pathocidicus IFO 13812	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Antibioticus CBS 659.68	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Antibioticus ETH 22014	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Aureofaciens ETH 13387	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Aureofaciens ETH 28832	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Coelicolor ATCC 21666	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Coelicolor DSM 40233	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Diastatochromogenes ETH 18822	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Diastatochromogenes IFO 13814	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Griseus ATCC 23345	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Griseus IFO 13849	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Hirsutus ATCC 19773	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Hirsutus ETH 1666	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Hygroscopicus ATCC 27438	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Hygroscopicus IFO 13255	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Murinus DSM 40091	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Murinus NRRL 8171	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Olivaceus ETH 6445	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Olivaceus ETH 7437	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Rishiriensis AMI 224	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Spp. AMI 240	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Thermoviolaceus CBS 111.62	n/a		Schoeller et al., 2002
Bacteria	Thermomonospora Fusca DSM 43792	na	soil	Wilkins, 1996
Fungi	Armillaria Mellea	n/a		Mueller et al., 2013
Fungi	Aspergillus Candidus		compost	Fischer et al. 2052
Fungi	Aspergillus Fumigatus		compost	Fischer et al. 2052
Fungi	Aspergillus Fumigatus Strain FGSC A1163			Heddergott et al. 2014
Fungi	Aspergillus Ornatus	n/a		Meruva et al., 2004
Fungi	Aspergillus Versicolor			Schleibinger et al.,2005
Fungi	Aspergillus Versicolor Tiraboschi	na	damp indoor environments, food products	Sunesson et al., 1995
Fungi	Aspergillus Vesicolor		compost	Fischer et al. 2052
Fungi	Aureobasidium Pullulans FN868849	attracts wasps	isolated from apples (with lepidopteran orchard pests)	Davis et al., 2012
Fungi	Candida Shehatae		cacti, fruits, insects, natural habitats	Nout and Bartelt 1998
Fungi	Chaetomium Globosum			Schleibinger et al.,2005
Fungi	Emericella Nidulans		compost	Fischer et al. 2052
Fungi	Eurotium Amstelodami			Schleibinger et al.,2005
Fungi	Fusarium Sp			Pierce et al. 1991
Fungi	Hansenula Holstii		whole beetles, beetle guts, loblolly pine	Brand et al. 1977
Fungi	Laccaria Bicolor	n/a		Mueller et al., 2013
Fungi	Mortierella Isabellina		mor horizon of a spruce forest soil southeastern Sweden	Bengtsson et al 1991
Fungi	Paecilomyces Variotii		compost	Fischer et al. 2052
Fungi	Paecilomyces Variotii Bain	na	compost, soils, food products	Sunesson et al., 1995
Fungi	Paxillus Involutus MAJ	n/a		Mueller et al., 2013
Fungi	Paxillus Involutus NAU	n/a		Mueller et al., 2013
Fungi	Pencillium Chrysogenum	None	None	Meruva et al., 2004
Fungi	Penicillium Aurantiogriseum	n/a		Boerjesson et al., 1990
Fungi	Penicillium Brevicompactum			Schleibinger et al.,2005
Fungi	Penicillium Chrysogenum	n/a		Meruva et al., 2004
Fungi	Penicillium Clavigerum		compost	Fischer et al. 2052
Fungi	Penicillium Commune Pitt	na	in dry-cured meat products, cheese	Sunesson et al., 1995
Fungi	Penicillium Corymbiferum			Pierce et al. 1991
Fungi	Penicillium Crustosum		compost	Fischer et al. 2052
Fungi	Penicillium Glabrum		compost	Fischer et al. 2052
Fungi	Penicillium Sp.	n/a		Bjurman et al., 1997
Fungi	Phialophora Fastigiata Conant	na	na	Sunesson et al., 1995
Fungi	Pholiota Squarrosa	n/a		Mueller et al., 2013
Fungi	Rhizopus Stolonifer	n/a		Meruva et al., 2004
Fungi	Saccharomyces Cerevisiae		grape vine	Becher et al. 2012
Fungi	Saccharomyces Cerevisiae CR1	control citrus black spot disease	fermentation processes	Toffano et al. 2017
Fungi	Scolulariopsis Brevicaulis			Pierce et al. 1991
Fungi	Stropharia Rugosoannulata	n/a		Mueller et al., 2013
Fungi	Trichodema Pseudokoningii	n/a		Wheatley et al., 1997
Fungi	Trichodema Viride	n/a		Wheatley et al., 1997
Fungi	Trichoderma Viride	n/a		Mueller et al., 2013
Fungi	Tuber Aestivum	n/a	T. melanosporum was from the cultivated truffle zones in the province and T. aestivum from the natural truffle zones in the same region	Cullere et al., 2010
Fungi	Tuber Borchii	n/a		Splivallo et al., 2007
Fungi	Tuber Excavatum	n/a	Prof. Mattia Bentivenga (UniversitÃ di Perugia, Perugia, Italy) and in the fortywoodland of the Basilicata region	Mauriello et al., 2004
Fungi	Tuber Indicum	n/a		Splivallo et al., 2007
Fungi	Tuber Melanosporum	n/a	T. melanosporum was from the cultivated truffle zones in the province and T. aestivum from the natural truffle zones in the same region	Cullere et al., 2010
Fungi	Verticillium Longisporum	n/a		Mueller et al., 2013
Fungi	Xylaria Sp.	phytotoxic on the seed germination, root elongation and seedling respiration of Am. Hypochondriacus and S. lycopersicum	Haematoxylon brasiletto, Morelos, Mexico	SÃ¡nchez-Ortiz et al., 2016
Fungi	Ampelomyces Sp. F-a-3	na	na	Naznin et al., 2014
Fungi	Phoma Sp. GS8-3	na	na	Naznin et al., 2014
Fungi	Geotrichum Candidum		compost mixed with milky fermented product	Zirbes et al. 2014
Bacteria	Actinomycetes Spp.	Is an attractant of the Caribbean fruit fly Anastrepha suspensa.		Schulz and Dickschat, 2007
Bacteria	Proteus Hauseri JN092591	Nematicidal activity	cow dung	XU et al., 2015
Bacteria	Bacillus Amyloliquefaciens UCMB5113	na	na	Asari et al., 2016
Bacteria	Lactobacillus Rhamnosus LSL 212	na	na	PogaÄiÄ‡ et al., 2016
Bacteria	Serratia Odorifera DSM 4582	n/a		Weise et al., 2014
Bacteria	Serratia Proteamaculans 568	n/a		Weise et al., 2014
Fungi	Pleurotus Eryngii Var. Tuoliensis	na	na	Usami et al., 2014
Bacteria	Lactobacillus Casei NCIB 8010	n/a		Tracey and Britz, 1989
Bacteria	Lactobacillus Plantarum NCIB 6376	n/a		Tracey and Britz, 1989
Bacteria	Lactococcus Lactis DSM 20202	n/a		Tracey and Britz, 1989
Bacteria	Leuconostoc Cremoris DSM 20346	n/a		Tracey and Britz, 1989
Bacteria	Leuconostoc Dextranicum DSM 20484	n/a		Tracey and Britz, 1989
Bacteria	Leuconostoc Mesenteroides DSM 20343	n/a		Tracey and Britz, 1989
Bacteria	Leuconostoc Oenos B66	n/a		Tracey and Britz, 1989
Bacteria	Leuconostoc Oenos 19	n/a		Tracey and Britz, 1989
Bacteria	Leuconostoc Oenos 30	n/a		Tracey and Britz, 1989
Bacteria	Leuconostoc Oenos 36	n/a		Tracey and Britz, 1989
Bacteria	Leuconostoc Oenos 37D	n/a		Tracey and Britz, 1989
Bacteria	Leuconostoc Oenos 7B	n/a		Tracey and Britz, 1989
Bacteria	Leuconostoc Oenos DSM 20252	n/a		Tracey and Britz, 1989
Bacteria	Leuconostoc Oenos DSM 20255	n/a		Tracey and Britz, 1989
Bacteria	Leuconostoc Oenos DSM 20257	n/a		Tracey and Britz, 1989
Bacteria	Leuconostoc Oenos Lc5x	n/a		Tracey and Britz, 1989
Bacteria	Leuconostoc Paramesenteroides DSM 20288	n/a		Tracey and Britz, 1989
Bacteria	Pediococcus Damnosus DSM 20331	n/a		Tracey and Britz, 1989
Bacteria	Proteus Vulgaris Sp.	na	na	Su et al., 2016
Bacteria	Pseudochrobactrum Asaccharolyticum YMF3Â·00201	na	na	Su et al., 2016
Bacteria	Pseudomonas Putida BP25	na	black pepper root	Sheoran et al., 2015
Bacteria	Pseudomonas Putida BP25R	positive influence of the plant root growth and protection against soil-borne pathogens		Sheoran et al., 2015
Fungi	Verticillium Longisporum		collection TU Graz	Rybakova et al. 2017
Bacteria	Clostridium Sp.	n/a		Stotzky and Schenk, 1976
Bacteria	Coagulase-negative Staphylococci	n/a		Hettinga et al., 2008
Bacteria	Escherichia Coli		milk of cows	Hettinga et al 2010
Bacteria	Serratia Proteamaculans 94	na	spoiled meat	Popova et al., 2014
Bacteria	Streptococcus Dysgalactiae	n/a		Hettinga et al., 2008
Fungi	Chalaropsis Thielaviodes			Collins 1961
Fungi	Trichoderma Viride			Hung et al., 2013

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Bacteria	Bacillus Amyloliquefaciens IN937a	Tryptic soy agar	SPME coupled with GC-MS
Bacteria	Bacillus Subtilis GB03	Tryptic soy agar	SPME coupled with GC-MS
Bacteria	Chryseobacterium Sp. AD48	Tryptic soy broth agar	GC/MS-Q-TOF	No
Bacteria	Legionella Pneumophila	blood culture	SPME/GC-MS	No
Bacteria	Paenibacillus Polymyxa E681	Tryptic soy agar	SPME coupled with GC-MS
Fungi	Ascocoryne Sarcoides NRRL 50072	Minimal medium	PTR-MS and SPME GC-MS
Fungi	Muscodor Albus CZ-620	n/a	Headspace sampler/GC-MS
Fungi	Muscodor Albus CZ-621		Headspace sampler/GC-MS	Yes
Fungi	Muscodor Crispans	potato dextrose agar	SPME-GC-MS	Yes
Fungi	Phoma Sp.	n/a	Solid phase microextraction (SPME)
Fungi	Phomopsis Sp.	PDA medium	SPME-GC/MS	Yes
Fungi	Trichoderma Atroviride	Potato dextrose agar	HS-SPME/GC-MS
Fungi	Trichoderma Virens	Potato dextrose agar	HS-SPME/GC-MS
Bacteria	Arthrobacter Agilis UMCV2	LB medium	SPME-GC/MS	No
Fungi	Aspergillus Flavus	n/a	n/a
Fungi	Boletus Variegatus	n/a	n/a
Fungi	Neurospora Sitophila ATCC 46892	Malt extract	Headspace/gas chromatography
Fungi	Neurospora Sp.	Malt extract	Headspace/gas chromatography
Bacteria	Bacillus Cereus B-569	LB and MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria	Burkholderia Andropogonis LMG 2129	LB, MR-VP and MS	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria	Burkholderia Anthina LMG 20980	LB and MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria	Burkholderia Caledonica LMG 19076	LB and MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria	Burkholderia Caryophylli LMG 2155	LB and MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria	Burkholderia Cepacia LMG 1222	LB and MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria	Burkholderia Cepacia LMG 1222 358	LB and MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	Yes
Bacteria	Burkholderia Fungorum LMG 16225	LB and MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria	Burkholderia Gladioli LMG 2216	LB and MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria	Burkholderia Glathei LMG 14190	MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria	Burkholderia Glumae LMG 2196	LB and MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria	Burkholderia Graminis LMG 18924	LB and MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria	Burkholderia Hospita LMG 20598	LB and MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria	Burkholderia Kururiensis LMG 19447	LB and MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria	Burkholderia Lata LMG 22485	MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria	Burkholderia Lata LMG 6993	LB and MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria	Burkholderia Phenazinium LMG 2247	LB and MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria	Burkholderia Phenoliruptrix LMG 22037	LB, MR-VP, MS and Angle	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria	Burkholderia Phytofirmans LMG 22487	LB and MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria	Burkholderia Pyrrocinia LMG 21822	LB, MR-VP and MS	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria	Burkholderia Sacchari LMG 19450	LB and MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria	Burkholderia Sordidicola LMG 22029	MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria	Burkholderia Terricola LMG 20594	LB and MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria	Burkholderia Thailandensis LMG 20219	LB and MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria	Burkholderia Tropica LMG 22274	LB, MR-VP, MS and Angle	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria	Burkholderia Xenovorans LMG 21463	LB and MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria	Cellulomonas Uda	LB and MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria	Chromobacterium Violaceum CV0	LB and MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria	Citrobacter Freundii	tryptic soy broth	SPME, GC-MS	yes
Bacteria	Cupriavidus Necator LMG 1199	LB	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria	Enterobacter Agglomerans	TSA	capillary GC	no
Bacteria	Enterobacter Cloacae		HS-SPME/GC-MS
Bacteria	Enterobacter Cloacae SM 639	AB medium + 1% citrate	GC-FID,GC/MS
Bacteria	Escherichia Coli	BHI Broth/ TS Broth/Glucose EF base broth	GC-MS /Polar and non-polar GC Column
Bacteria	Escherichia Coli ATCC15547	TS broth	GC-MS Super Q	no
Bacteria	Escherichia Coli OP50	LB and MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria	Haemophilus Influenzae	blood culture medium	SPME-GC-MS	no
Bacteria	Klebsiella Pneumoniae	BHI Broth/ TS Broth/Glucose EF base broth	GC-MS /Polar and non-polar GC Column
Bacteria	Klebsiella Pneumoniae ATCC 13883	LB	SPME / GCxGC-TOFMS	no
Bacteria	L Isteria Monocytogenes		HS-SPME/GC-MS
Bacteria	Lactobacillus Casei	MRS agar	GC-IMS	yes
Bacteria	Lactobacillus Lactis Subsp. Cremoris	MRS agar	GC-IMS	yes
Bacteria	Lactobacillus Lactis Subsp. Lactis	MRS agar	GC-IMS	yes
Bacteria	Lactobacillus Paracasei Subsp Paracasei	MRS agar	GC-IMS	yes
Bacteria	Legionella Pneumophila	blood culture medium	SPME-GC-MS	no
Bacteria	Limnobacter Thiooxidans LMG 19593	LB, MR-VP and MS	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria	Moraxella Catarrhalis	blood culture medium	SPME-GC-MS	no
Bacteria	Mycobacterium Bovis	Loewenstein-Jensen media	Headspace analyze / SIFT-MS and TD-GC-MS.
Bacteria	Pandoraea Norimbergensis LMG 18379	MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria	Pseudomonas Aeruginosa		HS-SPME/GC-MS
Bacteria	Pseudomonas Chlororaphis	LB and MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria	Pseudomonas Fluorescens WCS 417r	LB and MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria	Pseudomonas Perolens ATCC 10757	Trypticase soil agar (BBL)	GC/MS
Bacteria	Pseudomonas Putida ISOf	LB and MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria	Salmonella Enteritidis		HS-SPME/GC-MS
Bacteria	Serratia Entomophilia A1MO2	LB and MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria	Serratia Marcescens MG1	LB and MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria	Serratia Plymuthica HRO-C48	LB, MR-VP and Angle	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria	Serratia Plymuthica IC14	LB, MR-VP and Angle	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria	Serratia Proteamaculans 42M	n/a	n/a
Bacteria	Serratia Proteamaculans B5a	LB, MR-VP and Angle	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria	Staphylococcus Aureus	BHI Broth/ TS Broth/Glucose EF base broth	GC-MS /Polar and non-polar GC Column
Bacteria	Staphylococcus Epidermidis	CLSA, charcoal, GC-MS		no
Bacteria	Staphylococcus Sciuri	869 liquid medium	SPME-GC/MS
Bacteria	Stenotrophomonas Rhizophilla Ep10-p69	LB and MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria	Streptomyces Albidoflavus AMI 246	n/a	n/a
Bacteria	Streptomyces Albus Subsp. Pathocidicus IFO 13812	n/a	n/a
Bacteria	Streptomyces Antibioticus CBS 659.68	n/a	n/a
Bacteria	Streptomyces Antibioticus ETH 22014	n/a	n/a
Bacteria	Streptomyces Aureofaciens ETH 13387	n/a	n/a
Bacteria	Streptomyces Aureofaciens ETH 28832	n/a	n/a
Bacteria	Streptomyces Coelicolor ATCC 21666	n/a	n/a
Bacteria	Streptomyces Coelicolor DSM 40233	n/a	n/a
Bacteria	Streptomyces Diastatochromogenes ETH 18822	n/a	n/a
Bacteria	Streptomyces Diastatochromogenes IFO 13814	n/a	n/a
Bacteria	Streptomyces Griseus ATCC 23345	n/a	n/a
Bacteria	Streptomyces Griseus IFO 13849	n/a	n/a
Bacteria	Streptomyces Hirsutus ATCC 19773	n/a	n/a
Bacteria	Streptomyces Hirsutus ETH 1666	n/a	n/a
Bacteria	Streptomyces Hygroscopicus ATCC 27438	n/a	n/a
Bacteria	Streptomyces Hygroscopicus IFO 13255	n/a	n/a
Bacteria	Streptomyces Murinus DSM 40091	n/a	n/a
Bacteria	Streptomyces Murinus NRRL 8171	n/a	n/a
Bacteria	Streptomyces Olivaceus ETH 6445	n/a	n/a
Bacteria	Streptomyces Olivaceus ETH 7437	n/a	n/a
Bacteria	Streptomyces Rishiriensis AMI 224	n/a	n/a
Bacteria	Streptomyces Spp. AMI 240	n/a	n/a
Bacteria	Streptomyces Thermoviolaceus CBS 111.62	n/a	n/a
Bacteria	Thermomonospora Fusca DSM 43792	Nutrient agar CM3	GC/MS
Fungi	Armillaria Mellea	Melin-Nor krans synthetic medium (modified)	Headspace trapping ( using stir bar sorptive extraction )/ GC-MS
Fungi	Aspergillus Candidus	yest extract sucrose	Tenax/GC-MS	no
Fungi	Aspergillus Fumigatus	yest extract sucrose	Tenax/GC-MS	no
Fungi	Aspergillus Fumigatus Strain FGSC A1163	Brian`s broth, AMM, RPMI 1658	SPME / GC-MS
Fungi	Aspergillus Ornatus	Potato dextrose agar	Closedloop stripping analysis and GC/TOF-MS.
Fungi	Aspergillus Versicolor	ingrain wallpaper	GC/MS-SIM	Yes
Fungi	Aspergillus Versicolor Tiraboschi	DG18	GC/MS
Fungi	Aspergillus Vesicolor	yest extract sucrose	Tenax/GC-MS	no
Fungi	Aureobasidium Pullulans FN868849	Sabouraud Dextrose Agar	GC/FID	Yes
Fungi	Candida Shehatae	yeast malt agar	SPME, GC-MS	yes
Fungi	Chaetomium Globosum	ingrain wallpaper	GC/MS-SIM	Yes
Fungi	Emericella Nidulans	yest extract sucrose	Tenax/GC-MS	no
Fungi	Eurotium Amstelodami	ingrain wallpaper	GC/MS-SIM	Yes
Fungi	Fusarium Sp		GC-FID	yes
Fungi	Hansenula Holstii	PYG	GC-MS	no
Fungi	Laccaria Bicolor	Melin-Nor krans synthetic medium (modified)	Headspace trapping ( using stir bar sorptive extraction )/ GC-MS
Fungi	Mortierella Isabellina	malt extact agar	diethyl extraction, GC-MS	no
Fungi	Paecilomyces Variotii	yest extract sucrose	Tenax/GC-MS	no
Fungi	Paecilomyces Variotii Bain	DG18,MEA	GC/MS
Fungi	Paxillus Involutus MAJ	Melin-Nor krans synthetic medium (modified)	Headspace trapping ( using stir bar sorptive extraction )/ GC-MS
Fungi	Paxillus Involutus NAU	Melin-Nor krans synthetic medium (modified)	Headspace trapping ( using stir bar sorptive extraction )/ GC-MS
Fungi	Pencillium Chrysogenum	Potato dextrose agar	Closedloop stripping analysis and GC/TOF-MS.	Yes
Fungi	Penicillium Aurantiogriseum	n/a	n/a
Fungi	Penicillium Brevicompactum	ingrain wallpaper	GC/MS-SIM	Yes
Fungi	Penicillium Chrysogenum	Potato dextrose agar	Closedloop stripping analysis and GC/TOF-MS.
Fungi	Penicillium Clavigerum	yest extract sucrose	Tenax/GC-MS	no
Fungi	Penicillium Commune Pitt	DG18,MEA	GC/MS
Fungi	Penicillium Corymbiferum		GC-FID	yes
Fungi	Penicillium Crustosum	yest extract sucrose	Tenax/GC-MS	no
Fungi	Penicillium Glabrum	yest extract sucrose	Tenax/GC-MS	no
Fungi	Penicillium Sp.	n/a	n/a
Fungi	Phialophora Fastigiata Conant	DG18	GC/MS
Fungi	Pholiota Squarrosa	Melin-Nor krans synthetic medium (modified)	Headspace trapping ( using stir bar sorptive extraction )/ GC-MS
Fungi	Rhizopus Stolonifer	Potato dextrose agar and tobacco products.	Closedloop stripping analysis and GC/TOF-MS.
Fungi	Saccharomyces Cerevisiae	synthetic minimal medium	GC-MS, EI	yes
Fungi	Saccharomyces Cerevisiae CR1	YEPDA	GC/MS	no
Fungi	Scolulariopsis Brevicaulis		GC-FID	yes
Fungi	Stropharia Rugosoannulata	Melin-Nor krans synthetic medium (modified)	Headspace trapping ( using stir bar sorptive extraction )/ GC-MS
Fungi	Trichodema Pseudokoningii	Malt extract/Low medium	GC/MS
Fungi	Trichodema Viride	Low medium	GC/MS
Fungi	Trichoderma Viride	Melin-Nor krans synthetic medium (modified)	Headspace trapping ( using stir bar sorptive extraction )/ GC-MS
Fungi	Tuber Aestivum	n/a	Gas chromatography-olfactometry (GC-O)
Fungi	Tuber Borchii	n/a	n/a
Fungi	Tuber Excavatum	n/a	microextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)
Fungi	Tuber Indicum	n/a	n/a
Fungi	Tuber Melanosporum	n/a	Gas chromatography-olfactometry (GC-O)
Fungi	Verticillium Longisporum	Melin-Nor krans synthetic medium (modified)	Headspace trapping ( using stir bar sorptive extraction )/ GC-MS
Fungi	Xylaria Sp.	PDA medium	SPME-GC/MS	Yes
Fungi	Ampelomyces Sp. F-a-3	na	SPME-GC/MS	No
Fungi	Phoma Sp. GS8-3	na	SPME-GC/MS	No
Fungi	Geotrichum Candidum	medium 863	SPME-GC-MS	yes
Bacteria	Actinomycetes Spp.	n/a	n/a
Bacteria	Proteus Hauseri JN092591	LB liquid	SPME-GC/MS
Bacteria	Bacillus Amyloliquefaciens UCMB5113	na	GC/MS	No
Bacteria	Lactobacillus Rhamnosus LSL 212	curd-based broth medium	GC/MS	Yes
Bacteria	Serratia Odorifera DSM 4582	NBII	Headspace trapping/ GC-MS
Bacteria	Serratia Proteamaculans 568	NBII	Headspace trapping/ GC-MS
Fungi	Pleurotus Eryngii Var. Tuoliensis	na	GC/MS, GC-O, AEDA	No
Bacteria	Lactobacillus Casei NCIB 8010	n/a	n/a
Bacteria	Lactobacillus Plantarum NCIB 6376	n/a	n/a
Bacteria	Lactococcus Lactis DSM 20202	n/a	n/a
Bacteria	Leuconostoc Cremoris DSM 20346	n/a	n/a
Bacteria	Leuconostoc Dextranicum DSM 20484	n/a	n/a
Bacteria	Leuconostoc Mesenteroides DSM 20343	n/a	n/a
Bacteria	Leuconostoc Oenos B66	n/a	n/a
Bacteria	Leuconostoc Oenos 19	n/a	n/a
Bacteria	Leuconostoc Oenos 30	n/a	n/a
Bacteria	Leuconostoc Oenos 36	n/a	n/a
Bacteria	Leuconostoc Oenos 37D	n/a	n/a
Bacteria	Leuconostoc Oenos 7B	n/a	n/a
Bacteria	Leuconostoc Oenos DSM 20252	n/a	n/a
Bacteria	Leuconostoc Oenos DSM 20255	n/a	n/a
Bacteria	Leuconostoc Oenos DSM 20257	n/a	n/a
Bacteria	Leuconostoc Oenos Lc5x	n/a	n/a
Bacteria	Leuconostoc Paramesenteroides DSM 20288	n/a	n/a
Bacteria	Pediococcus Damnosus DSM 20331	n/a	n/a
Bacteria	Proteus Vulgaris Sp.	LB medium	SPME-GC/MS	No
Bacteria	Pseudochrobactrum Asaccharolyticum YMF3Â·00201	LB medium	SPME-GC/MS	No
Bacteria	Pseudomonas Putida BP25	Luria Bertani Agar	Headspace GC/MS	No
Bacteria	Pseudomonas Putida BP25R	TSB	Propak Q adsorbent trap/GC-MS
Fungi	Verticillium Longisporum	potato dextrose agar (PDA), Czapek Dox liquid culture	GC-MS / SPME	no
Bacteria	Clostridium Sp.	n/a	n/a
Bacteria	Coagulase-negative Staphylococci	Milk	HS-SPME/GC-MS
Bacteria	Escherichia Coli		GCMS DSQ	no
Bacteria	Serratia Proteamaculans 94	LB medium	SPME-GC/MS	No
Bacteria	Streptococcus Dysgalactiae	Milk	HS-SPME/GC-MS
Fungi	Chalaropsis Thielaviodes			no
Fungi	Trichoderma Viride	Malt extract agar	Headspace volatiles collected with colomn/TD-GC-MS	Yes

2-methylpropan-1-ol

Mass-Spectra

Compound Details

Synonymous names

Isopropylcarbinol

isobutylalcohol

Isobutylalkohol

Alcool isobutylique

Isobutanol

1-Hydroxymethylpropane

Fermentation butyl alcohol

Isobutanol, Spectrophotometric Grade

Isobutyl alcohol|

ZXEKIIBDNHEJCQ-UHFFFAOYSA-N

ISOBUTYL ALCOHOL

NATURAL ISOBUTYL ALCOHOL

2-methylpropanoI

2-Methylpropanol

Butanol-iso

IBl

iso butanol

iso-butanol

Isobutanol or isobutyl alcohol

i-Butanol

Isobutyl Alcohol Reagent ACS

2-Methylpropyl alcohol

5OZ

AC1L1MSV

AC1Q1PQD

Iso-butyl alcohol

i-Butyl alcohol

Isobutylalkohol [Czech]

2-Methyl propanol

2-methyl-propanol

Isobutanol, HPLC Grade

Alcool isobutylique [French]

2-Methylpropanol-1

iso-C4H9OH

Isobutyl alcohol (natural)

HSDB 49

Isobutyl Alcohol (Fragrance Grade)

KSC377G2F

UNII-WB09NY83YA component ZXEKIIBDNHEJCQ-UHFFFAOYSA-N

2-methyl-l-propanol

ACMC-209pff

NSC5708

UN1212

56F9Z98TEM

CTK2H7322

HMDB06006

I0094

Z1849

2-Methyl-1-propanol

2-Methylpropan-1-ol

ACT03408

BIDD:ER0628

CHEMBL269630

Methyl-2 propanol-1

RL05045

2-methyl-1-propanyl alcohol

C14710

CCRIS 2300

LTBB002055

RCRA waste number U140

UNII-56F9Z98TEM

DTXSID0021759

FEMA Number 2179

LS-1756

NSC 5708

NSC-5708

OR000149

OR250242

OR328314

Propanol, 2-methyl-

UN 1212

WLN: Q1Y1&1

2-Methyl-1-propanol, analytical standard

CHEBI:46645

DSSTox_CID_1759

PROPOXY, 2-METHYL-

ZINC1687155

2-methyl-propan-1-ol

AN-42121

ANW-37225

CJ-27908

DSSTox_GSID_21759

KB-25207

TRA0023784

DSSTox_RID_76310

LMFA05000100

MFCD00004740

ZINC01687155

AI3-01777

RTR-025160

TR-025160

AKOS000118740

J-509912

RCRA waste no. U140

1-Propanol, 2-methyl-

BRN 1730878

FEMA No. 2179

FT-0627343

78-83-1

I14-19788

Z955123524

Tox21_201214

Alcohols, C8-13-iso-

F0001-2058

Isobutyl alcohol, ACS reagent, >=99.0%

2-Methyl-1-propanol, 99%

CAS-78-83-1

Isobutyl alcohol, >=99%, FCC, FG

MCULE-6294327194

NCGC00091851-01

NCGC00091851-02

NCGC00258766-01

2-Methyl-1-propanol, United States Pharmacopeia (USP) Reference Standard

EINECS 201-148-0

EINECS 273-552-5

68989-27-5

821-EP2269986A1

821-EP2274983A1

821-EP2284157A1

821-EP2287152A2

821-EP2305825A1

821-EP2308857A1

821-EP2380568A1

Isobutyl alcohol, natural, >=99%, FCC, FG

Isobutanol or isobutyl alcohol [UN1212] [Flammable liquid]

2-Methyl-1-propanol, 99.5%

2-Methyl-1-propanol, LR, >=99%

MolPort-001-785-833

2-Methyl-1-propanol, AR, 99%

2-Methyl-1-propanol, ACS spectrophotometric grade, >=99.0%

28287-EP2270012A1

28287-EP2270013A1

28287-EP2272849A1

28287-EP2275423A1

28287-EP2280005A1

28287-EP2289509A2

28287-EP2289884A1

28287-EP2289892A1

28287-EP2292576A2

28287-EP2292613A1

28287-EP2295424A1

28287-EP2298313A1

28287-EP2298751A2

28287-EP2301919A1

28287-EP2305033A1

28287-EP2305254A1

28287-EP2305625A1

28287-EP2305647A1

28287-EP2305681A1

28287-EP2305825A1

28287-EP2308849A1

28287-EP2308850A1

28287-EP2308864A1

28287-EP2311801A1

28287-EP2311802A1

28287-EP2311803A1

28287-EP2311821A1

28287-EP2311838A1

28287-EP2314577A1

28287-EP2371814A1

28287-EP2374780A1

28287-EP2374781A1

28287-EP2377844A2

45218-EP2292616A1

45218-EP2311821A1

74956-EP2275411A2

74956-EP2275414A1

74956-EP2281821A1

74956-EP2298763A1

74956-EP2305254A1

74956-EP2305667A2

74956-EP2308838A1

74956-EP2374780A1

74956-EP2374781A1

2-Methyl-1-propanol, anhydrous, 99.5%

Isobutanol or isobutyl alcohol [UN1212] [Flammable liquid]

13259-29-5 (hydrochloride salt)

3453-79-0 (aluminum salt)

2-Methyl-1-propanol, ACS reagent, >=99.0%

2-Methyl-1-propanol, JIS special grade, >=99.0%

2-Methyl-1-propanol, for HPLC, 99.5%

2-Methyl-1-propanol, SAJ first grade, >=99.0%

4-01-00-01588 (Beilstein Handbook Reference)

Isobutanol, ACS, 99.0% min. 500ml

2-Methyl-1-propanol, reag. ISO, 99%, UV HPLC spectroscopic

7425-80-1 (titanium(+4) salt)

2-Methyl-1-propanol, BioUltra, for molecular biology, >=99.5% (GC)

2-Methyl-1-propanol, p.a., ACS reagent, 99.0%

2-Methyl-1-propanol, puriss. p.a., ACS reagent, >=99.5% (GC)

InChI=1/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H

2-Methyl-1-propanol, puriss. p.a., ACS reagent, reag. Ph. Eur., >=99% (GC)

IUPAC name

2-methylpropan-1-ol

SMILES

CC(C)CO

Inchi

InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3

Formula

(CH₃)₂CHCH₂OH

PubChem ID

6560

Molweight

74.123

LogP

0.73

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

Alcohols

mVOC Specific Details

Volatilization

The Henry's Law constant for isobutyl alcohol is 9.78X10-6 atm-cu m/mole(1). This Henry's Law constant indicates that isobutyl alcohol is expected to volatilize from water surfaces(2). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec)(2) is estimated as 3.3 days(SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(2) is estimated as 27 days(SRC). Isobutyl alcohol's Henry's Law constant(1) indicates that volatilization from moist soil surfaces may occur(SRC). Isobutyl alcohol is expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 10.4 mm Hg at 25 deg C(3).
Literature: (1) Snider JR, Dawson; J Geophys Res 90: 3797-3805 (1985) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (3) Daubert TE, Danner RP; Physical and Thermodynamic Properties of Pure Chemicals Data Compilation Washington, DC: Taylor and Francis (1989)

Soil Adsorption

Using a structure estimation method based on molecular connectivity indices(1), the Koc of isobutyl alcohol can be estimated to be 2.9(SRC). According to a classification scheme(2), this estimated Koc value suggests that isobutyl alcohol is expected to have very high mobility in soil.
Literature: (1) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.11. Nov, 2012. Available from, as of June 10, 2014: http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm (2) Swann RL et al; Res Rev 85: 17-28 (1983)

Vapor Pressure

Pressure	Reference
10.4 mm Hg at 25 deg C	Daubert, T.E., R.P. Danner. Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, D.C.: Taylor and Francis, 1989.

MS-Links

1D-NMR-Links

Microorganisms emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Bacteria	Bacillus Amyloliquefaciens IN937a	n/a		Lee et al., 2012
Bacteria	Bacillus Subtilis GB03	n/a		Lee et al., 2012
Bacteria	Paenibacillus Polymyxa E681	n/a		Lee et al., 2012
Fungi	Tuber Simonea	None	None	March et al., 2006
Fungi	Tuber Aestivum	n/a	Ayme Truffe of Grignan, 26230 France	March et al., 2006
Fungi	Tuber Brumale	n/a	Ayme Truffe of Grignan, 26230 France	March et al., 2006
Fungi	Tuber Melanosporum	n/a	Ayme Truffe of Grignan, 26230 France	March et al., 2006
Fungi	Tuber Mesentericum	n/a	Ayme Truffe of Grignan, 26230 France	March et al., 2006
Fungi	Tuber Miesentericum	None	None	March et al., 2006
Fungi	Tuber Rufum	n/a	Ayme Truffe of Grignan, 26230 France	March et al., 2006
Fungi	Tuber Simonea	n/a	Ayme Truffe of Grignan, 26230 France	March et al., 2006
Fungi	Ascocoryne Sarcoides NRRL 50072	n/a		Mallette et al. 2012
Fungi	Muscodor Albus CZ-620	n/a		Corcuff et al., 2011
Fungi	Muscodor Crispans		Wild pineapple plant, Ananas ananassoides	Mitchell et al., 2010
Fungi	Phoma Sp.	n/a		Strobel et al., 2014
Fungi	Phomopsis Sp.	na	endophyte of Odontoglossum sp.	Singh et al., 2011
Fungi	Penicillium Glabrum		compost	Fischer et al. 2054
Bacteria	Enterobacter Cloacae SM 639	na	ubiquitary,intestinal	Schoeller et al., 1997
Bacteria	Mycobacterium Bovis	n/a		MCNerney et al., 2014
Bacteria	Serratia Spp. B2675	n/a		Bruce et al., 2004
Bacteria	Serratia Spp. B675	n/a		Bruce et al., 2004
Bacteria	Streptomyces Albidoflavus AMI 246	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Antibioticus CBS 659.68	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Antibioticus ETH 22014	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Aureofaciens ETH 13387	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Aureofaciens ETH 28832	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Coelicolor ATCC 21666	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Coelicolor DSM 40233	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Diastatochromogenes ETH 18822	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Diastatochromogenes IFO 13814	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Griseus ATCC 23345	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Griseus IFO 13849	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Hirsutus ETH 1666	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Murinus NRRL 8171	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Olivaceus ETH 6445	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Olivaceus ETH 7437	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Rishiriensis AMI 224	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Thermoviolaceus CBS 111.62	n/a		Schoeller et al., 2002
Bacteria	Thermoactinomyces Vulgaris DSM 43016	na	soil	Wilkins, 1996
Bacteria	Thermomonospora Fusca DSM 43792	na	soil	Wilkins, 1996
Fungi	Aspergillus Candidus		compost	Fischer et al. 2054
Fungi	Aspergillus Versicolor Tiraboschi	na	damp indoor environments, food products	Sunesson et al., 1995
Fungi	Candida Shehatae		cacti, fruits, insects, natural habitats	Nout and Bartelt 1998
Fungi	Geotrichium Candidum			SchnÃ¼rer et al. 1999
Fungi	Mortierella Isabellina		mor horizon of a spruce forest soil southeastern Sweden	Bengtsson et al 1991
Fungi	Paecilomyces Variotii		compost	Fischer et al. 2054
Fungi	Paecilomyces Variotii Bain	na	compost, soils, food products	Sunesson et al., 1995
Fungi	Penicillium Aurantiogriseum	n/a		Boerjesson et al., 1990
Fungi	Penicillium Commune Pitt	na	in dry-cured meat products, cheese	Sunesson et al., 1995
Fungi	Penicillium Roqueforti			SchnÃ¼rer et al. 1999
Fungi	Pleurotus Eryngii Var. Tuoliensis	na	na	Usami et al., 2014
Fungi	Rhizoctonia Solani AG2-2 IIIB		collection of the Sugar Beet Research Institute, Bergen op Zoom, The Netherlands	Cordovez et al. 2017
Fungi	Saccharomyces Cerevisiae		grape vine	Becher et al. 2012
Fungi	Saccharomyces Cerevisiae Y1001	n/a		Bruce et al., 2004
Fungi	Trichodema Pseudokoningii	n/a		Wheatley et al., 1997
Fungi	Trichodema Viride	n/a		Wheatley et al., 1997
Fungi	Tuber Aestivum	n/a	Prof. Mattia Bentivenga (UniversitÃ di Perugia, Perugia, Italy) and in the fortywoodland of the Basilicata region	Mauriello et al., 2004
Fungi	Tuber Borchii	n/a	Prof. MattiaProf. Mattia Bentivenga (UniversitÃ di Perugia, Perugia, Italy) and in the fortywoodland of the Basilicata region Bentivenga (UniversitÃƒÂ di Perugia, Perugia, Italy) and in the fortywoodland of the Basilicata region	Mauriello et al., 2004
Fungi	Tuber Brumale	n/a	Prof. Mattia Bentivenga (UniversitÃ di Perugia, Perugia, Italy) and in the fortywoodland of the Basilicata region	Mauriello et al., 2004
Fungi	Tuber Excavatum	n/a	Prof. Mattia Bentivenga (UniversitÃ di Perugia, Perugia, Italy) and in the fortywoodland of the Basilicata region	Mauriello et al., 2004
Fungi	Tuber Indicum	n/a		Splivallo et al., 2007
Fungi	Tuber Melanosporum	n/a		Splivallo et al., 2007
Fungi	Xylaria Sp.	phytotoxic on the seed germination, root elongation and seedling respiration of Am. Hypochondriacus and S. lycopersicum	Haematoxylon brasiletto, Morelos, Mexico	SÃ¡nchez-Ortiz et al., 2016
Fungi	Geotrichum Candidum		compost mixed with milky fermented product	Zirbes et al. 2012
Fungi	Ampelomyces Sp. F-a-3	na	na	Naznin et al., 2014
Fungi	Phoma Sp. GS8-3	na	na	Naznin et al., 2014
Bacteria	Actinomycetes Spp.	n/a		Schulz and Dickschat, 2007
Bacteria	Leuconostoc Lactis CIRM1451	na	cow cheese	PogaÄiÄ‡ et al., 2016
Fungi	Aspergillus Fumigatus		compost	Fischer et al. 2054
Fungi	Emericella Nidulans		compost	Fischer et al. 2054
Fungi	Penicillium Brevicompactum		compost	Fischer et al. 2054
Fungi	Penicillium Clavigerum		compost	Fischer et al. 2054
Fungi	Penicillium Crustosum		compost	Fischer et al. 2054
Fungi	Penicillium Cyclopium		compost	Fischer et al. 2054
Bacteria	Clostridium Sp.	n/a		Stotzky and Schenk, 1976
Bacteria	Lactobacillus Casei NCIB 8010	n/a		Tracey and Britz, 1989
Bacteria	Lactobacillus Plantarum NCIB 6376	n/a		Tracey and Britz, 1989
Bacteria	Lactococcus Lactis DSM 20202	n/a		Tracey and Britz, 1989
Bacteria	Leuconostoc Cremoris DSM 20346	n/a		Tracey and Britz, 1989
Bacteria	Leuconostoc Dextranicum DSM 20484	n/a		Tracey and Britz, 1989
Bacteria	Leuconostoc Mesenteroides DSM 20343	n/a		Tracey and Britz, 1989
Bacteria	Leuconostoc Oenos B66	n/a		Tracey and Britz, 1989
Bacteria	Leuconostoc Oenos 19	n/a		Tracey and Britz, 1989
Bacteria	Leuconostoc Oenos 30	n/a		Tracey and Britz, 1989
Bacteria	Leuconostoc Oenos 36	n/a		Tracey and Britz, 1989
Bacteria	Leuconostoc Oenos 37D	n/a		Tracey and Britz, 1989
Bacteria	Leuconostoc Oenos 7B	n/a		Tracey and Britz, 1989
Bacteria	Leuconostoc Oenos DSM 20252	n/a		Tracey and Britz, 1989
Bacteria	Leuconostoc Oenos DSM 20255	n/a		Tracey and Britz, 1989
Bacteria	Leuconostoc Oenos DSM 20257	n/a		Tracey and Britz, 1989
Bacteria	Leuconostoc Oenos Lc5x	n/a		Tracey and Britz, 1989
Bacteria	Leuconostoc Paramesenteroides DSM 20288	n/a		Tracey and Britz, 1989
Bacteria	Pediococcus Damnosus DSM 20331	n/a		Tracey and Britz, 1989
Fungi	Alternaria Alternata(Fr.)Keissler (DSMZ 62006) Coculture With Fusarium Oxysporum F. Aechmeae(Fr.)Schltdl. (DSMZ 62297)		DSMZ	Weikl et al. 2016
Fungi	Boletus Variegatus	Inhibited growth and sporulation of Aspergillus niger.		Stotzky and Schenk, 1976
Fungi	Chalaropsis Thielaviodes			Collins 1960
Fungi	Fomes Sp.	Inhibited growth and sporulation of Aspergillus niger.		Stotzky and Schenk, 1976
Fungi	Saccharomyces Cerevisiae	Inhibited growth and sporulation of Aspergillus niger.		Stotzky and Schenk, 1976
Fungi	Verticillium Longisporum		collection TU Graz	Rybakova et al. 2017

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Bacteria	Bacillus Amyloliquefaciens IN937a	Tryptic soy agar	SPME coupled with GC-MS
Bacteria	Bacillus Subtilis GB03	Tryptic soy agar	SPME coupled with GC-MS
Bacteria	Paenibacillus Polymyxa E681	Tryptic soy agar	SPME coupled with GC-MS
Fungi	Tuber Simonea	None	Pressure balanced head-space sampling and GC/TOF-MS	No
Fungi	Tuber Aestivum	n/a	Pressure balanced head-space sampling and GC/TOF-MS
Fungi	Tuber Brumale	n/a	Pressure balanced head-space sampling and GC/TOF-MS
Fungi	Tuber Melanosporum	n/a	Pressure balanced head-space sampling and GC/TOF-MS
Fungi	Tuber Mesentericum	n/a	Pressure balanced head-space sampling and GC/TOF-MS
Fungi	Tuber Miesentericum	None	Pressure balanced head-space sampling and GC/TOF-MS	No
Fungi	Tuber Rufum	n/a	Pressure balanced head-space sampling and GC/TOF-MS
Fungi	Tuber Simonea	n/a	Pressure balanced head-space sampling and GC/TOF-MS
Fungi	Ascocoryne Sarcoides NRRL 50072	Minimal medium	PTR-MS and SPME GC-MS
Fungi	Muscodor Albus CZ-620	n/a	Headspace sampler/GC-MS
Fungi	Muscodor Crispans	potato dextrose agar	SPME-GC-MS	Yes
Fungi	Phoma Sp.	n/a	Solid phase microextraction (SPME)
Fungi	Phomopsis Sp.	PDA medium	SPME-GC/MS	Yes
Fungi	Penicillium Glabrum	yest extract sucrose	Tenax/GC-MS	no
Bacteria	Enterobacter Cloacae SM 639	AB medium + 1% citrate	GC-FID,GC/MS
Bacteria	Mycobacterium Bovis	Loewenstein-Jensen media	Headspace analyze / SIFT-MS and TD-GC-MS.
Bacteria	Serratia Spp. B2675	n/a	n/a
Bacteria	Serratia Spp. B675	n/a	n/a
Bacteria	Streptomyces Albidoflavus AMI 246	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS
Bacteria	Streptomyces Antibioticus CBS 659.68	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS
Bacteria	Streptomyces Antibioticus ETH 22014	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS
Bacteria	Streptomyces Aureofaciens ETH 13387	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS
Bacteria	Streptomyces Aureofaciens ETH 28832	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS
Bacteria	Streptomyces Coelicolor ATCC 21666	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS
Bacteria	Streptomyces Coelicolor DSM 40233	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS
Bacteria	Streptomyces Diastatochromogenes ETH 18822	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS
Bacteria	Streptomyces Diastatochromogenes IFO 13814	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS
Bacteria	Streptomyces Griseus ATCC 23345	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS
Bacteria	Streptomyces Griseus IFO 13849	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS
Bacteria	Streptomyces Hirsutus ETH 1666	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS
Bacteria	Streptomyces Murinus NRRL 8171	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS
Bacteria	Streptomyces Olivaceus ETH 6445	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS
Bacteria	Streptomyces Olivaceus ETH 7437	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS
Bacteria	Streptomyces Rishiriensis AMI 224	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS
Bacteria	Streptomyces Thermoviolaceus CBS 111.62	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS
Bacteria	Thermoactinomyces Vulgaris DSM 43016	Nutrient agar CM3	GC/MS
Bacteria	Thermomonospora Fusca DSM 43792	Nutrient agar CM3	GC/MS
Fungi	Aspergillus Candidus	yest extract sucrose	Tenax/GC-MS	no
Fungi	Aspergillus Versicolor Tiraboschi	DG18	GC/MS
Fungi	Candida Shehatae	yeast malt agar	SPME, GC-MS	yes
Fungi	Geotrichium Candidum	malt extract agar with 0.5-1.0% acetic acid,Aspergillus flavus and parasiticus agar (AFPA),dichloran rose bengal yeast extract sucrose agar (DRYES)	TenaxGC,Chromosorb,HS-SPME, GC-MS	no
Fungi	Mortierella Isabellina	malt extact agar	diethyl extraction, GC-MS	no
Fungi	Paecilomyces Variotii	yest extract sucrose	Tenax/GC-MS	no
Fungi	Paecilomyces Variotii Bain	DG18,MEA	GC/MS
Fungi	Penicillium Aurantiogriseum	n/a	n/a
Fungi	Penicillium Commune Pitt	DG18	GC/MS
Fungi	Penicillium Roqueforti	malt extract agar with 0.5-1.0% acetic acid	TenaxGC,Chromosorb,HS-SPME, GC-MS	no
Fungi	Pleurotus Eryngii Var. Tuoliensis	na	GC/MS, GC-O, AEDA	No
Fungi	Rhizoctonia Solani AG2-2 IIIB	Potato Dextrose Agar1	Tenax TA / TDGC-MS	yes
Fungi	Saccharomyces Cerevisiae	synthetic minimal medium	GC-MS, EI	yes
Fungi	Saccharomyces Cerevisiae Y1001	n/a	n/a
Fungi	Trichodema Pseudokoningii	Malt extract/Low medium	GC/MS
Fungi	Trichodema Viride	Low medium	GC/MS
Fungi	Tuber Aestivum	n/a	microextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)
Fungi	Tuber Borchii	n/a	microextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)
Fungi	Tuber Brumale	n/a	microextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)
Fungi	Tuber Excavatum	n/a	microextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)
Fungi	Tuber Indicum	n/a	n/a
Fungi	Tuber Melanosporum	n/a	n/a
Fungi	Xylaria Sp.	PDA medium	SPME-GC/MS	Yes
Fungi	Geotrichum Candidum	medium 863	SPME-GC-MS	yes
Fungi	Ampelomyces Sp. F-a-3	na	SPME-GC/MS	No
Fungi	Phoma Sp. GS8-3	na	SPME-GC/MS	No
Bacteria	Actinomycetes Spp.	n/a	n/a
Bacteria	Leuconostoc Lactis CIRM1451	curd-based broth medium	GC/MS	Yes
Fungi	Aspergillus Fumigatus	yest extract sucrose	Tenax/GC-MS	no
Fungi	Emericella Nidulans	yest extract sucrose	Tenax/GC-MS	no
Fungi	Penicillium Brevicompactum	yest extract sucrose	Tenax/GC-MS	no
Fungi	Penicillium Clavigerum	yest extract sucrose	Tenax/GC-MS	no
Fungi	Penicillium Crustosum	yest extract sucrose	Tenax/GC-MS	no
Fungi	Penicillium Cyclopium	yest extract sucrose	Tenax/GC-MS	no
Bacteria	Clostridium Sp.	n/a	n/a
Bacteria	Lactobacillus Casei NCIB 8010	n/a	n/a
Bacteria	Lactobacillus Plantarum NCIB 6376	n/a	n/a
Bacteria	Lactococcus Lactis DSM 20202	n/a	n/a
Bacteria	Leuconostoc Cremoris DSM 20346	n/a	n/a
Bacteria	Leuconostoc Dextranicum DSM 20484	n/a	n/a
Bacteria	Leuconostoc Mesenteroides DSM 20343	n/a	n/a
Bacteria	Leuconostoc Oenos B66	n/a	n/a
Bacteria	Leuconostoc Oenos 19	n/a	n/a
Bacteria	Leuconostoc Oenos 30	n/a	n/a
Bacteria	Leuconostoc Oenos 36	n/a	n/a
Bacteria	Leuconostoc Oenos 37D	n/a	n/a
Bacteria	Leuconostoc Oenos 7B	n/a	n/a
Bacteria	Leuconostoc Oenos DSM 20252	n/a	n/a
Bacteria	Leuconostoc Oenos DSM 20255	n/a	n/a
Bacteria	Leuconostoc Oenos DSM 20257	n/a	n/a
Bacteria	Leuconostoc Oenos Lc5x	n/a	n/a
Bacteria	Leuconostoc Paramesenteroides DSM 20288	n/a	n/a
Bacteria	Pediococcus Damnosus DSM 20331	n/a	n/a
Fungi	Alternaria Alternata(Fr.)Keissler (DSMZ 62006) Coculture With Fusarium Oxysporum F. Aechmeae(Fr.)Schltdl. (DSMZ 62297)	malt extract agar	SBSE-GC-MS	no
Fungi	Boletus Variegatus	n/a	n/a
Fungi	Chalaropsis Thielaviodes			no
Fungi	Fomes Sp.	n/a	n/a
Fungi	Saccharomyces Cerevisiae	n/a	n/a
Fungi	Verticillium Longisporum	potato dextrose agar (PDA), Czapek Dox liquid culture	GC-MS / SPME	no

Acetylene

Mass-Spectra

Compound Details

Synonymous names

Polyacetylenes

Polyacetylene

Ethenylene

Acetylen

ACETYLENE

Azetylen

HSFWRNGVRCDJHI-UHFFFAOYSA-N

Narcylen

Vinylene

ETHENYLENE GROUP

Ethine

Ethyne

Vinylene radical

CH#CH

Ethin

HC#CH

Acetylene, dissolved

Welding Gas

Ethyne, homopolymer

C2H2

AC1L1MA3

UN1001

CTK1H3489

HSDB 166

OC7TV75O83

AC1Q2828

CHEMBL116336

C01548

UNII-OC7TV75O83

Carbon (C2)

DTXSID6026379

OR241809

OR247937

UN 1001

CHEBI:27518

ethen-1,2-diyl

AN-23825

LS-13953

[CH(CH)]

74-86-2

MCULE-9422154630

EINECS 200-816-9

25067-58-7

7777-EP2272828A1

7777-EP2272832A1

7777-EP2275417A2

7777-EP2275418A1

7777-EP2275427A1

7777-EP2275469A1

7777-EP2277848A1

7777-EP2280274A2

7777-EP2282200A2

7777-EP2284157A1

7777-EP2284159A1

7777-EP2284162A2

7777-EP2284163A2

7777-EP2287940A1

7777-EP2289965A1

7777-EP2292586A2

7777-EP2292604A2

7777-EP2295399A2

7777-EP2295412A1

7777-EP2295413A1

7777-EP2295433A2

7777-EP2295503A1

7777-EP2301536A1

7777-EP2301538A1

7777-EP2301937A1

7777-EP2305677A1

7777-EP2305808A1

7777-EP2305825A1

7777-EP2308843A1

7777-EP2308857A1

7777-EP2308861A1

7777-EP2308882A1

7777-EP2311455A1

7777-EP2311814A1

7777-EP2311836A1

7777-EP2316452A1

7777-EP2316905A1

7777-EP2316906A2

7777-EP2380867A1

Acetylene, dissolved [UN1001] [Flammable gas]

10951-EP2269610A2

10951-EP2272839A1

10951-EP2272840A1

10951-EP2277848A1

10951-EP2277881A1

10951-EP2281818A1

10951-EP2289510A1

10951-EP2289518A1

10951-EP2292231A1

10951-EP2298743A1

10951-EP2298767A1

10951-EP2298770A1

10951-EP2305653A1

10951-EP2314587A1

10951-EP2316457A1

10951-EP2316458A1

10951-EP2316825A1

10951-EP2316826A1

10951-EP2316827A1

10951-EP2316828A1

10951-EP2371811A2

16125-EP2281563A1

16125-EP2308848A1

16125-EP2316459A1

17246-EP2272822A1

17246-EP2272832A1

17246-EP2272843A1

17246-EP2275469A1

17246-EP2277858A1

17246-EP2281817A1

17246-EP2284169A1

17246-EP2287161A1

17246-EP2287162A1

17246-EP2287940A1

17246-EP2289965A1

17246-EP2292593A2

17246-EP2295414A1

17246-EP2298767A1

17246-EP2298828A1

17246-EP2301922A1

17246-EP2301932A1

17246-EP2301983A1

17246-EP2305672A1

17246-EP2305695A2

17246-EP2305696A2

17246-EP2305697A2

17246-EP2305698A2

17246-EP2308510A1

17246-EP2308828A2

17246-EP2308882A1

17246-EP2308926A1

17246-EP2308960A1

17246-EP2309564A1

17246-EP2309584A1

17246-EP2311850A1

17246-EP2314586A1

17246-EP2314587A1

38152-EP2301932A1

38152-EP2311796A1

38152-EP2311797A1

38152-EP2311798A1

38152-EP2311799A1

Acetylene, dissolved [UN1001] [Flammable gas]

IUPAC name

acetylene

SMILES

C#C

Inchi

InChI=1S/C2H2/c1-2/h1-2H

Formula

C₂H₂

PubChem ID

6326

Molweight

26.038

LogP

0.15

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

Alkines alkynes

mVOC Specific Details

Volatilization

The Henry's Law constant for acetylene is estimated as 2.2X10-2 atm-cu m/mole(SRC) derived from its vapor pressure, 3.65X10+4 mm Hg(1), and water solubility, 1,200 mg/L(2). This Henry's Law constant indicates that acetylene is expected to volatilize rapidly from water surfaces(3). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec)(3) is estimated as 1.5 hours(SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(3) is estimated as 2 days(SRC). Acetylene's estimated Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). The potential for volatilization of acetylene from dry soil surfaces will exist(SRC) based upon its vapor pressure(1).
Literature: (1) Daubert TE, Danner RP; Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, DC: Taylor and Francis (1998) (2) Yalkowsky SH et al; Handbook of Aqueous Solubility Data. 2nd ed. Boca Ratin, FL: CRC Press, p. 20 (2010) (3) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990)

Soil Adsorption

The Koc of acetylene is estimated as 2(SRC), using a log Kow of 0.37(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that acetylene is expected to have very high mobility in soil. Less than 1 ppm of gas acetylene was absorbed to dry soil and a maximum of 90 ppm of acetylene was absorbed to moist soil samples taken from 6 soil samples from Oregon, Iowa and Saskatchewan, Canada(4).
Literature: (1) Hansch C et al; Exploring QSAR. Hydrophobic, Electronic, and Steric Constants. ACS Prof Ref Book. Heller SR, consult. ed., Washington, DC: Amer Chem Soc p. 4 (1995) (2) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.1. Nov, 2012. Available from, as of Jan 15, 2014: http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm (3) Swann RL et al; Res Rev 85: 17-28 (1983) (4) Smith et al.; Soil Science 116: 313-319 (1973)

Vapor Pressure

Pressure	Reference
3.65X10+4 mm Hg at 25 deg C (est)	Daubert TE, Danner RP; Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, DC: Taylor and Francis (1998)

Microorganisms emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Bacteria	Bacillus Amyloliquefaciens IN937a	n/a		Lee et al., 2012
Fungi	Penicillium Digitatum	n/a		Stotzky and Schenk, 1976

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Bacteria	Bacillus Amyloliquefaciens IN937a	Tryptic soy agar	SPME coupled with GC-MS
Fungi	Penicillium Digitatum	n/a	n/a

2-methylbuta-1,3-diene

Mass-Spectra

Compound Details

Synonymous names

Isopentadiene

isoterpene

Chlorinated natural rubber

beta-Methylbivinyl

isopreno

ISOPRENE

RRHGJUQNOFWUDK-UHFFFAOYSA-N

Isopren

Polyisoprene, chlorinated

2-Methylbutadiene

Isoprene, analytical standard

2-Methyldivinyl

Isoprene, inhibited

AC1L1MSM

ISOPRENE, REAG

AC1Q1J4I

AC1Q1J4J

.beta.-Methylbivinyl

ACMC-209slm

NSC9237

7380AF

UN1218

Isoprene, >=99%

HSDB 620

I0160

I0772

CTK2H7308

RL05044

CH2=C(CH3)CH=CH2

CCRIS 6253

C16521

bmse000844

DSSTox_CID_761

0A62964IBU

LTBB001094

LS-1754

DTXSID2020761

NSC 9237

NSC-9237

OR000132

OR098975

OR327531

OR341562

CHEMBL1566132

UNII-0A62964IBU

ZINC1699876

CHEBI:35194

ANW-41336

DSSTox_GSID_20761

AN-42118

WLN: 1UY1&1U1

KB-52802

TRA0042245

DSSTox_RID_75776

MFCD00008600

TR-037841

3-Methyl-1,3-butadiene

2-Methylbuta-1,3-diene

2-Methyl-1,3-butadiene

RTR-037841

J-509898

AKOS000119971

FT-0627457

I14-49147

I14-19787

78-79-5

Tox21_200067

2-methyl-buta-1,3-diene

3B1-007327

CAS-78-79-5

NCGC00257621-01

NCGC00091078-02

NCGC00091078-01

1,3-Butadiene, 2-methyl-

EINECS 201-143-3

Isoprene, 99%, stabilized 100ml

UN 1218 (Salt/Mix)

68441-58-7

78006-92-5

954-EP2301924A1

954-EP2272935A1

954-EP2272843A1

1,3-Butadiene, 2-methyl-, homopolymer

954-EP2374781A1

954-EP2374780A1

954-EP2305825A1

954-EP2305668A1

954-EP2277945A1

954-EP2298313A1

954-EP2275427A1

954-EP2281817A1

954-EP2270113A1

954-EP2270101A1

823271-95-0

Isoprene, inhibited [UN1218] [Flammable liquid]

1,3-Butadiene, 2-methyl-, homopolymer, chlorinated

3-BUTENYL, 2-METHYLENE-(8CI,9CI)

Isoprene, 99%, contains <1000 ppm p-tert-butylcatechol as inhibitor

Isoprene, inhibited [UN1218] [Flammable liquid]

InChI=1/C5H8/c1-4-5(2)3/h4H,1-2H2,3H

IUPAC name

2-methylbuta-1,3-diene

SMILES

CC(=C)C=C

Inchi

InChI=1S/C5H8/c1-4-5(2)3/h4H,1-2H2,3H3

Formula

C₅H₈

PubChem ID

6557

Molweight

68.119

LogP

1.88

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

Alkenes

mVOC Specific Details

Volatilization

The Henry's Law constant for isoprene is estimated as 0.077 atm-cu m/mole(SRC) derived from its vapor pressure, 550 mm Hg(1), and water solubility, 642 mg/L(2). This Henry's Law constant indicates that isoprene is expected to volatilize rapidly from water surfaces(3). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec)(3) is estimated as 2.4 hours(SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(3) is estimated as 3.3 days(SRC). Isoprene's estimated Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). The potential for volatilization of isoprene from dry soil surfaces may exist(SRC) based upon its vapor pressure(1).
Literature: (1) Zwolinski BJ, Wilhoit RC; Handbook of Vapor Pressures and Heats of Formation of Hydrocarbons and Related Compounds. API44-TRC101 College Station, TX: Thermodynamics Res Ctr p. 48 (1971) (2) McAuliffe C; J Phys Chem 70: 1267-75 (1966) (3) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990)

Soil Adsorption

The Koc of isoprene is estimated as 61(SRC), using a log Kow of 2.42(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that isoprene is expected to have high mobility in soil.
Literature: (1) Chemicals Inspection and Testing Institute. Japan Chemical Industry Ecology - Toxicology and Information Center. ISBN 4-89074-101-1 (1992) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 4-9 (1990) (3) Swann RL et al; Res Rev 85: 17-28 (1983)

Vapor Pressure

Pressure	Reference
550 mm Hg at 25 deg C	Zwolinski BJ, Wilhoit RC; Handbook of Vapor Pressures and Heats of Vaporization of Hydrocarbons and Related Compounds. API44-TRC101 College Station, TX: Thermodynamics Res Ctr p. 48 (1971)

Microorganisms emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Bacteria	Pedobacter Sp. V48	na	rhizosphere of Marram grass in sandy dune soils, Netherlands	Garbeva et al., 2014
Bacteria	Burkholderia Sp. AD24	bacterial interations	rhizosphere and bulk soil of Carex arenaria	Tyc et al. 2017
Bacteria	Paenibacillus Sp. AD87	bacterial interations	rhizosphere and bulk soil of Carex arenaria	Tyc et al. 2017
Fungi	Tuber Borchii	n/a	Fortywoodland of the Basilicata region	Mauriello et al., 2004
Fungi	Tuber Mesentericum	n/a	Fortywoodland of the Basilicata region	Mauriello et al., 2004
Bacteria	AMI 386	protection against heat stress, stabilizes cell membranes in response to heat stress	breathing zone of a waste collection worker	Wilkins, 1996
Bacteria	Bacillus Amyloliquefaciens IN937a	n/a		Lee et al., 2012
Bacteria	Bacillus Spp.	n/a		Schulz and Dickschat, 2007
Bacteria	Bacillus Subtilis GB03	n/a		Lee et al., 2012
Bacteria	Enterobacter Cloacae SM 639	protection against heat stress, stabilizes cell membranes in response to heat stress	ubiquitary,intestinal	Schoeller et al., 1997
Bacteria	Paenibacillus Polymyxa E681	n/a		Lee et al., 2012
Bacteria	Pseudomonas Aeruginosa ATCC 10145	protection against heat stress, stabilizes cell membranes in response to heat stress	soil, water, skin flora	Schoeller et al., 1997
Bacteria	Pseudomonas Fluorescens R2F	protection against heat stress, stabilizes cell membranes in response to heat stress	soil, water, plants	Schoeller et al., 1997
Bacteria	Pseudomonas Putida KT 2442	protection against heat stress, stabilizes cell membranes in response to heat stress	na	Schoeller et al., 1997
Bacteria	Pseudonocardia Sp.	n/a		Schulz and Dickschat, 2007
Bacteria	Pseudonocardia Thermophila DSM 43832	protection against heat stress, stabilizes cell membranes in response to heat stress	soil	Wilkins, 1996
Bacteria	Saccharomonospora Rectivirgula DSM 43113	protection against heat stress, stabilizes cell membranes in response to heat stress	soil	Wilkins, 1996
Bacteria	Saccharomonospora Sp.	n/a		Schulz and Dickschat, 2007
Bacteria	Saccharomonospora Viridis DSM 43017	protection against heat stress, stabilizes cell membranes in response to heat stress	soil	Wilkins, 1996
Bacteria	Serratia Liquefaciens SM 1302	protection against heat stress, stabilizes cell membranes in response to heat stress	soil, water, plants; digestive tracts of rodents, insects, fish, humans	Schoeller et al., 1997
Bacteria	Streptomyces Albidoflavus AMI 246	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Antibioticus CBS 659.68	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Antibioticus ETH 22014	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Aureofaciens ETH 13387	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Aureofaciens ETH 28832	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Coelicolor ATCC 21666	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Coelicolor DSM 40233	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Diastatochromogenes ETH 18822	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Diastatochromogenes IFO 13814	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Griseus ATCC 23345	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Griseus IFO 13849	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Griseus Subsp. Griseus DSM 40236	protection against heat stress, stabilizes cell membranes in response to heat stress	soil	Wilkins, 1996
Bacteria	Streptomyces Hirsutus ATCC 19773	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Hirsutus ETH 1666	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Hygroscopicus ATCC 27438	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Hygroscopicus IFO 13255	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Murinus DSM 40091	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Murinus NRRL 8171	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Rishiriensis AMI 224	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Spp.	n/a		Schulz and Dickschat, 2007
Bacteria	Streptomyces Spp. AMI 240	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Spp. AMI 243	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Thermoviolaceus CBS 111.62	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Thermoviolaceus IFO 12382	n/a		Schoeller et al., 2002
Bacteria	Thermoactinomyces Spp.	n/a		Schulz and Dickschat, 2007
Bacteria	Thermoactinomyces Vulgaris DSM 43016	protection against heat stress, stabilizes cell membranes in response to heat stress	soil	Wilkins, 1996
Bacteria	Thermomonospora Fusca DSM 43792	protection against heat stress, stabilizes cell membranes in response to heat stress	soil	Wilkins, 1996
Bacteria	Thermomonospora Sp.	n/a		Schulz and Dickschat, 2007
Fungi	Aspergillus Fumigatus Strain FGSC A1163			Heddergott et al. 2014

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Bacteria	Pedobacter Sp. V48	sand containing artificial root exudates	GC/MS	No
Bacteria	Burkholderia Sp. AD24	TSBA	GC-Q-TOF	no
Bacteria	Paenibacillus Sp. AD87	TSBA	GC-Q-TOF	no
Fungi	Tuber Borchii	n/a	microextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)
Fungi	Tuber Mesentericum	n/a	microextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)
Bacteria	AMI 386	Nutrient agar CM3 + 50mg/l actidione	GC/MS
Bacteria	Bacillus Amyloliquefaciens IN937a	Tryptic soy agar	SPME coupled with GC-MS
Bacteria	Bacillus Spp.	n/a	n/a
Bacteria	Bacillus Subtilis GB03	Tryptic soy agar	SPME coupled with GC-MS
Bacteria	Enterobacter Cloacae SM 639	AB medium + 1% citrate	GC-FID,GC/MS
Bacteria	Paenibacillus Polymyxa E681	Tryptic soy agar	SPME coupled with GC-MS
Bacteria	Pseudomonas Aeruginosa ATCC 10145	AB medium + 1% citrate	GC-FID,GC/MS
Bacteria	Pseudomonas Fluorescens R2F	AB medium + 1% citrate	GC-FID,GC/MS
Bacteria	Pseudomonas Putida KT 2442	AB medium + 1% citrate or 0,02% citrate or 1% glucose +1% casaminoacid	GC-FID,GC/MS
Bacteria	Pseudonocardia Sp.	n/a	n/a
Bacteria	Pseudonocardia Thermophila DSM 43832	Nutrient agar CM3	GC/MS
Bacteria	Saccharomonospora Rectivirgula DSM 43113	Nutrient agar CM3	GC/MS
Bacteria	Saccharomonospora Sp.	n/a	n/a
Bacteria	Saccharomonospora Viridis DSM 43017	Nutrient agar CM3	GC/MS
Bacteria	Serratia Liquefaciens SM 1302	AB medium + 1% citrate	GC-FID,GC/MS
Bacteria	Streptomyces Albidoflavus AMI 246	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS
Bacteria	Streptomyces Antibioticus CBS 659.68	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS
Bacteria	Streptomyces Antibioticus ETH 22014	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS
Bacteria	Streptomyces Aureofaciens ETH 13387	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS
Bacteria	Streptomyces Aureofaciens ETH 28832	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS
Bacteria	Streptomyces Coelicolor ATCC 21666	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS
Bacteria	Streptomyces Coelicolor DSM 40233	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS
Bacteria	Streptomyces Diastatochromogenes ETH 18822	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS
Bacteria	Streptomyces Diastatochromogenes IFO 13814	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS
Bacteria	Streptomyces Griseus ATCC 23345	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS
Bacteria	Streptomyces Griseus IFO 13849	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS
Bacteria	Streptomyces Griseus Subsp. Griseus DSM 40236	Nutrient agar CM3	GC/MS
Bacteria	Streptomyces Hirsutus ATCC 19773	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS
Bacteria	Streptomyces Hirsutus ETH 1666	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS
Bacteria	Streptomyces Hygroscopicus ATCC 27438	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS
Bacteria	Streptomyces Hygroscopicus IFO 13255	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS
Bacteria	Streptomyces Murinus DSM 40091	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS
Bacteria	Streptomyces Murinus NRRL 8171	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS
Bacteria	Streptomyces Rishiriensis AMI 224	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS
Bacteria	Streptomyces Spp.	n/a	n/a
Bacteria	Streptomyces Spp. AMI 240	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS
Bacteria	Streptomyces Spp. AMI 243	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS
Bacteria	Streptomyces Thermoviolaceus CBS 111.62	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS
Bacteria	Streptomyces Thermoviolaceus IFO 12382	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS
Bacteria	Thermoactinomyces Spp.	n/a	n/a
Bacteria	Thermoactinomyces Vulgaris DSM 43016	Nutrient agar CM3	GC/MS
Bacteria	Thermomonospora Fusca DSM 43792	Nutrient agar CM3	GC/MS
Bacteria	Thermomonospora Sp.	n/a	n/a
Fungi	Aspergillus Fumigatus Strain FGSC A1163	Brian`s broth, AMM, RPMI 1640	SPME / GC-MS

Butan-2-one

Mass-Spectra

Compound Details

Synonymous names

Aethylmethylketon

Ethylmethylcetone

Ethylmethylketon

ethylmethylketone

Methylethylketone

Metiletilchetone

Metyloetyloketon

Methylpropanone

Metiletilcetona

methylacetone

Butanone

ethyl methylketone

ethylmathyl ketone

ethylmethyl ketone

methyl ethylketone

methyl-ethylketone

Methylethyl ketone

methylethyl-ketone

Oxobutane

ZWEHNKRNPOVVGH-UHFFFAOYSA-N

Butanon

Meetco

Methyl acetone

MEK

Ethyl methyl cetone

Ethyl methyl ketone

ethyl-methyl ketone

methyl ethyl cetone

METHYL ETHYL KETONE

methyl-ethyl ketone

methyl-ethyl-ketone

Metyl ethyl ketone

n-butanone

AC1L1MTM

Aethylmethylketon [German]

Ethylmethylcetone [French]

Metiletilcetona [Spanish]

Metiletilchetone [Italian]

Metyloetyloketon [Polish]

2-Butanone

2-Oxobutane

3-Butanone

Butanone 2

Ethylmethylketon [Dutch]

2-butanal

2-butanon

6PT9KLV9IO

C2H5COCH3

Ethyl- a -Chloropropionamide

ethyl(methyl) ketone

Ketone, ethyl methyl

Ketone, methyl ethyl

Methyl Ethyl Ketone Reagent Grade ACS

methyl(ethyl) ketone

2-Butanone, analytical standard

UNII-6PT9KLV9IO

2 -butanone

2- butanone

AC1Q2S03

AC1Q2S04

Acetone, methyl-

Butan-2-one

butane-2-one

Ethyl methyl ketone or methyl ethyl ketone

HSDB 99

KSC377S9D

CHEMBL15849

Methyl ethyl ketone, ACS reagent

UN1193

ASTM-D740

CTK2H7991

E0140

HMDB00474

Ethyl methyl cetone [French]

Methyl Ethyl Ketone, pharmaceutical secondary standard; traceable to USP

RP18311

2-Butanone, HPLC Grade

C02845

CCRIS 2051

RCRA waste number U159

ZINC901514

BBL011450

Butanone 2 [French]

DTXSID3021516

LS-1761

OR034250

OR129517

OR129518

OR192028

OR225680

OR280101

STL146562

UN 1193

ZB015288

A839534

CHEBI:28398

DSSTox_CID_1516

Methyl Ethyl Ketone - Mil Spec

AN-42129

BP-30009

CJ-04546

DSSTox_GSID_21516

BB_SC-6989

BUTYL, 3-OXO-

Caswell No. 569

DSSTox_RID_76193

LMFA12000043

Methyl ethyl ketone, United States Pharmacopeia (USP) Reference Standard

MFCD00011648

ZINC00901514

AI3-07540

KB-169162

RTR-025185

TR-025185

AKOS000118991

EPA Pesticide Chemical Code 044103

ghl.PD_Mitscher_leg0.417

I14-4164

RCRA waste no. U159

FEMA No. 2170

FT-0628728

FT-0634386

78-93-3

2-Butanone, technical grade, 99%

Tox21_200041

2-Butanone, LR, >=99%

CAS-78-93-3

PROPYL, 1-METHYL-2-OXO-

MCULE-8276670748

NCGC00090973-01

NCGC00090973-02

NCGC00257595-01

2-Butanone, 97% 1L

2-Butanone, ReagentPlus(R), >=99%

EINECS 201-159-0

2-Butanone, natural, >=99%, FG

AI3-07540 (USDA)

135311-02-3

2-Butanone, ACS reagent, >=99.0%

2-Butanone, AR, >=99.5%

2-Butanone, for HPLC, >=99.7%

2-Butanone, JIS special grade, >=99.0%

5793-EP2270114A1

5793-EP2280005A1

5793-EP2281817A1

5793-EP2289879A1

5793-EP2289884A1

5793-EP2289897A1

5793-EP2292601A1

5793-EP2292602A1

5793-EP2293650A1

5793-EP2298739A1

5793-EP2298746A1

5793-EP2298771A2

5793-EP2298772A1

5793-EP2301922A1

5793-EP2305658A1

5793-EP2305667A2

5793-EP2308839A1

5793-EP2371805A1

MolPort-001-783-785

2-Butanone, SAJ first grade, >=99.0%

15136-EP2270004A1

15136-EP2270114A1

15136-EP2272813A2

15136-EP2272817A1

15136-EP2272832A1

15136-EP2272841A1

15136-EP2275395A2

15136-EP2275401A1

15136-EP2277874A1

15136-EP2289879A1

15136-EP2289893A1

15136-EP2295407A1

15136-EP2295425A1

15136-EP2295426A1

15136-EP2295427A1

15136-EP2298735A1

15136-EP2298736A1

15136-EP2298761A1

15136-EP2305642A2

15136-EP2305652A2

15136-EP2305687A1

15136-EP2308864A1

15136-EP2308877A1

15136-EP2311830A1

15136-EP2314590A1

15136-EP2316832A1

15136-EP2316833A1

15136-EP2371808A1

15136-EP2371831A1

15136-EP2374454A1

15136-EP2377842A1

15249-EP2270000A1

15249-EP2281810A1

15249-EP2286811A1

15249-EP2289897A1

15249-EP2298735A1

15249-EP2305647A1

15249-EP2305688A1

15249-EP2311830A1

15249-EP2316832A1

15249-EP2316833A1

18726-EP2289879A1

18726-EP2314576A1

23079-EP2275424A1

23079-EP2311832A1

23079-EP2311833A1

23079-EP2314591A1

26070-EP2269986A1

26070-EP2269995A1

26070-EP2270000A1

26070-EP2270009A1

26070-EP2270113A1

26070-EP2272822A1

26070-EP2272827A1

26070-EP2272832A1

26070-EP2272849A1

26070-EP2272935A1

26070-EP2274983A1

26070-EP2275407A1

26070-EP2275411A2

26070-EP2275423A1

26070-EP2275469A1

26070-EP2277866A1

26070-EP2277878A1

26070-EP2281812A1

26070-EP2281821A1

26070-EP2284146A2

26070-EP2284147A2

26070-EP2284149A1

26070-EP2284165A1

26070-EP2284174A1

26070-EP2286811A1

26070-EP2287154A1

26070-EP2287940A1

26070-EP2289868A1

26070-EP2289879A1

26070-EP2289885A1

26070-EP2289965A1

26070-EP2292592A1

26070-EP2292593A2

26070-EP2292597A1

26070-EP2292609A1

26070-EP2295423A1

26070-EP2295430A2

26070-EP2295431A2

26070-EP2295438A1

26070-EP2298729A1

26070-EP2298753A1

26070-EP2298763A1

26070-EP2298767A1

26070-EP2298828A1

26070-EP2299326A1

26070-EP2301918A1

26070-EP2301920A1

26070-EP2301924A1

26070-EP2301983A1

26070-EP2302003A1

26070-EP2305636A1

26070-EP2305642A2

26070-EP2305649A1

26070-EP2305650A1

26070-EP2305667A2

26070-EP2305676A1

26070-EP2305685A1

26070-EP2305686A1

26070-EP2308510A1

26070-EP2308562A2

26070-EP2308828A2

26070-EP2308838A1

26070-EP2308857A1

26070-EP2308858A1

26070-EP2308865A1

26070-EP2308926A1

26070-EP2309564A1

26070-EP2309584A1

26070-EP2311801A1

26070-EP2311802A1

26070-EP2311803A1

26070-EP2311815A1

26070-EP2311816A1

26070-EP2311817A1

26070-EP2314558A1

26070-EP2314577A1

26070-EP2314587A1

26070-EP2371797A1

26070-EP2371798A1

26070-EP2371800A1

26070-EP2371804A1

26070-EP2371808A1

26070-EP2371811A2

26070-EP2371814A1

26070-EP2374533A1

26070-EP2374538A1

26070-EP2374895A1

26070-EP2377845A1

26070-EP2380568A1

26070-EP2380873A1

28325-EP2270000A1

28325-EP2270008A1

28325-EP2275102A1

28325-EP2275423A1

28325-EP2277877A1

28325-EP2289879A1

28325-EP2289885A1

28325-EP2289897A1

28325-EP2292593A2

28325-EP2292617A1

28325-EP2298768A1

28325-EP2307364A1

28325-EP2308861A1

28325-EP2308865A1

28325-EP2310373A1

28325-EP2311808A1

28325-EP2311829A1

28325-EP2311840A1

28325-EP2314577A1

28325-EP2371797A1

28325-EP2371798A1

28325-EP2371800A1

28325-EP2371804A1

28325-EP2371808A1

89669-EP2277868A1

89669-EP2277869A1

89669-EP2277870A1

89669-EP2281861A2

89669-EP2292608A1

89669-EP2305033A1

113739-EP2270000A1

113739-EP2272843A1

113739-EP2272849A1

113739-EP2281817A1

113739-EP2284169A1

113739-EP2287161A1

113739-EP2287162A1

113739-EP2289877A1

113739-EP2292618A1

113739-EP2295406A1

113739-EP2298772A1

138199-EP2292592A1

138199-EP2292595A1

2-Butanone, >=99.5%, FCC, FG

2-Butanone, puriss., >=99% (GC)

Ethyl methyl ketone or methyl ethyl ketone [UN1193] [Flammable liquid]

2-Butanone, HPLC grade, for HPLC, >=99.5%

Ethyl methyl ketone or methyl ethyl ketone [UN1193] [Flammable liquid]

InChI=1/C4H8O/c1-3-4(2)5/h3H2,1-2H

2-Butanone solution, certified reference material, 2000 mug/mL in methanol: water (9:1)

2-Butanone, 5000 mug/mL in methanol: water (9:1), analytical standard

2-Butanone, puriss., ACS reagent, reag. Ph. Eur., 99.5%

2-Butanone, puriss. p.a., ACS reagent, reag. Ph. Eur., >=99.5% (GC)

IUPAC name

butan-2-one

SMILES

CCC(=O)C

Inchi

InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3

Formula

CH₃COCH₂CH₃

PubChem ID

6569

Molweight

72.107

LogP

0.81

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

Ketones

mVOC Specific Details

Volatilization

The Henry's Law constant for methyl ethyl ketone is 4.67X10-5 atm-cu m/mole(1). This Henry's Law constant indicates that methyl ethyl ketone is expected to volatilize from water surfaces(2). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec)(2) is estimated as 18 hours(SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(2) is estimated as 8.2 days(SRC). Methyl ethyl ketone's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). Methyl ethyl ketone is expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 90.6 mm Hg(3). The volatilization half-life of methyl ethyl ketone from silt and sandy loams was measured as 4.9 days(4).
Literature: (1) Ji C, Evans EM; Environ Toxicol Chem 26(2): 231-236 (2007) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (3) Alarie Y et al; Toxicol Appl Pharmacol 134: 92-99 (1995) (4) Anderson TA et al; J Environ Qual 20: 420-24 (1991)

Soil Adsorption

Measured Koc values of 29 and 34 were obtained for methyl ethyl ketone in a silt loam and sandy loam soil respectively(1). A measured Koc value of 3.55 has also been reported(2). According to a classification scheme(3), these Koc values suggest that methyl ethyl ketone is expected to have very high mobility in soil(SRC).
Literature: (1) Walton BT et al; J Environ Qual 21: 552-58 (1992) (2) ATSDR; Toxicological Profile for 2-Butanone. Atlanta, GA: Agency for Toxic Substances and Disease Registry, US Public Health Service (1992). Available from, as of Dec 8, 2014: http://www.atsdr.cdc.gov/toxprofiles/index.asp (3) Swann RL et al; Res Rev 85: 23 (1983)

Vapor Pressure

Pressure	Reference
90.6 mm Hg at 25 deg C	Alarie Y et al; Toxicol Appl Pharmacol 134: 92-99 (1995)

MS-Links

MS-MS Spectrum 4086 - EI-B (HITACHI RMU-7M) Positive

MS-MS Spectrum 19963

MS-MS Spectrum 694 - Quattro_QQQ 40V Positive delivery=Flow_Injection analyzer=Triple_Quad

MS-MS Spectrum 19962

MS-MS Spectrum 692 - Quattro_QQQ 10V Positive delivery=Flow_Injection analyzer=Triple_Quad

MS-MS Spectrum 4088 - EI-B (HITACHI M-80) Positive

MS-MS Spectrum 22254

MS-MS Spectrum 20703

MS-MS Spectrum 19961

MS-MS Spectrum 4087 - EI-B (HITACHI M-80B) Positive

MS-MS Spectrum 20702

MS-MS Spectrum 693 - Quattro_QQQ 25V Positive delivery=Flow_Injection analyzer=Triple_Quad

1D-NMR-Links

1D NMR Spectrum 2643 - JEOL 90 MHz 1H NMR

1D NMR Spectrum 1387 - Varian 500 MHz 1H NMR

1D NMR Spectrum 3330 - NEVA 15.09 MHz 13C NMR

Microorganisms emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Bacteria	AMI 386	na	breathing zone of a waste collection worker	Wilkins, 1996
Bacteria	Bacillus Amyloliquefaciens IN937a	n/a		Lee et al., 2012
Bacteria	Bacillus Cereus YMF3Â·00019	na	na	Su et al., 2016
Bacteria	Bacillus Subtilis GB03	n/a		Lee et al., 2012
Bacteria	Brevibacterium Epidermidis YMF3Â·00155	na	na	Su et al., 2016
Bacteria	Citrobacter Freundii		American Type Culture Collection	Robacker and Bartelt 1997
Bacteria	Coagulase Negative Staphylococci		milk of cows	Hettinga et al 2010
Bacteria	Escherichia Coli		National collection of type cultures (NCTC) UK	Tait et al., 2014
Bacteria	Klebsiella Pneumoniae		American Type Culture Collection	Robacker and Bartelt 1997
Bacteria	Lactobacillus Casei		fermented milk	Gallegos et al. 2017
Bacteria	Lactobacillus Lactis Subsp. Cremoris		Spanish strain collection CECT	Gallegos et al. 2017
Bacteria	Lactobacillus Lactis Subsp. Lactis		Spanish strain collection CECT	Gallegos et al. 2017
Bacteria	Lactobacillus Paracasei Subsp Paracasei		Spanish strain collection CECT	Gallegos et al. 2017
Bacteria	Lactobacillus Sakei CIRM467T	na	Sake starter	PogaÄiÄ‡ et al., 2016
Bacteria	Paenibacillus Polymyxa E681	n/a		Lee et al., 2012
Bacteria	Proteus Penneri YMF3Â·00016	na	na	Su et al., 2016
Bacteria	Proteus Vulgaris Sp.	na	na	Su et al., 2016
Bacteria	Pseudochrobactrum Asaccharolyticum YMF3Â·00201	na	na	Su et al., 2016
Bacteria	Saccharomonospora Rectivirgula DSM 43113	na	soil	Wilkins, 1996
Bacteria	Saccharomonospora Viridis DSM 43017	na	soil	Wilkins, 1996
Bacteria	Salmonella Enterica	n/a		Bunge et al., 2008
Bacteria	Serratia Spp. B2675	n/a		Bruce et al., 2004
Bacteria	Serratia Spp. B675	n/a		Bruce et al., 2004
Bacteria	Staphylococcus Aureus		milk of cows	Hettinga et al 2010
Bacteria	Streptococcus Dysgalactiae		milk of cows	Hettinga et al 2010
Bacteria	Streptococcus Uberis		milk of cows	Hettinga et al 2010
Bacteria	Thermoactinomyces Vulgaris DSM 43016	na	soil	Wilkins, 1996
Bacteria	Thermomonospora Fusca DSM 43792	na	soil	Wilkins, 1996
Fungi	Candida Tropicalis	n/a		Bunge et al., 2008
Fungi	Muscodor Crispans	n/a		Mitchell et al., 2010
Fungi	Paecilomyces Variotii Bain	na	compost, soils, food products	Sunesson et al., 1995
Fungi	Penicillium Commune Pitt	na	in dry-cured meat products, cheese	Sunesson et al., 1995
Fungi	Phialophora Fastigiata Conant	na	na	Sunesson et al., 1995
Fungi	Phoma Sp.	n/a		Strobel et al., 2014
Fungi	Saccharomyces Cerevisiae Y1001	n/a		Bruce et al., 2004
Fungi	Trichodema Pseudokoningii	n/a		Wheatley et al., 1997
Fungi	Trichodema Viride	n/a		Wheatley et al., 1997
Fungi	Tuber Simonea	None	None	March et al., 2006
Fungi	Tuber Aestivum	n/a	Ayme Truffe of Grignan, 26230 France	March et al., 2006
Fungi	Tuber Brumale	n/a	Ayme Truffe of Grignan, 26230 France	March et al., 2006
Fungi	Tuber Melanosporum	n/a	Ayme Truffe of Grignan, 26230 France	March et al., 2006
Fungi	Tuber Mesentericum	n/a	Ayme Truffe of Grignan, 26230 France	March et al., 2006
Fungi	Tuber Miesentericum	None	None	March et al., 2006
Fungi	Tuber Rufum	n/a	Ayme Truffe of Grignan, 26230 France	March et al., 2006
Fungi	Tuber Simonea	n/a	Ayme Truffe of Grignan, 26230 France	March et al., 2006
Fungi	Tuber Uncinatum	n/a	France, Italy, Switzerland, the UK, Austria, Romania, and Hungary	Splivallo et al., 2012
Bacteria	Achromobacter Xylosoxidans AF411019	Nematicidal activity	cow dung	XU et al., 2015
Bacteria	Arthrobacter Nicotianae JQ071518	Nematicidal activity	cow dung	XU et al., 2015
Bacteria	Mycobacterium Bovis	n/a		MCNerney et al., 2017
Bacteria	Wautersiella Falsenii AM238687	Nematicidal activity	cow dung	XU et al., 2015
Bacteria	Cyanobacteria	As part of a multicomponent odour it is also an attractant for the freshwater nematode Bursilla monhystera.		Schulz and Dickschat, 2007
Bacteria	Pseudomonas Perolens ATCC 10757	na	sterile fish muscle (Sebastes melanops)	Miller et al., 1973
Fungi	Tuber Aestivum	n/a	Prof. Mattia Bentivenga (UniversitÃ di Perugia, Perugia, Italy) and in the fortywoodland of the Basilicata region	Mauriello et al., 2004
Fungi	Tuber Brumale	n/a	Prof. Mattia Bentivenga (UniversitÃ di Perugia, Perugia, Italy) and in the fortywoodland of the Basilicata region	Mauriello et al., 2004
Fungi	Tuber Melanosporum	n/a	Prof. Mattia Bentivenga (UniversitÃ di Perugia, Perugia, Italy) and in the fortywoodland of the Basilicata region	Mauriello et al., 2004
Fungi	Tuber Mesentericum	n/a	Prof. Mattia Bentivenga (UniversitÃ di Perugia, Perugia, Italy) and in the fortywoodland of the Basilicata region	Mauriello et al., 2004
Fungi	Tuber Panniferum	n/a	Prof. Mattia Bentivenga (UniversitÃ di Perugia, Perugia, Italy) and in the fortywoodland of the Basilicata region	Mauriello et al., 2004

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Bacteria	AMI 386	Nutrient agar CM3 + 50mg/l actidione	GC/MS
Bacteria	Bacillus Amyloliquefaciens IN937a	Tryptic soy agar	SPME coupled with GC-MS
Bacteria	Bacillus Cereus YMF3Â·00019	LB medium	SPME-GC/MS	No
Bacteria	Bacillus Subtilis GB03	Tryptic soy agar	SPME coupled with GC-MS
Bacteria	Brevibacterium Epidermidis YMF3Â·00155	LB medium	SPME-GC/MS	No
Bacteria	Citrobacter Freundii	tryptic soy broth	SPME, GC-MS	yes
Bacteria	Coagulase Negative Staphylococci		GCMS DSQ	no
Bacteria	Escherichia Coli	milk samples	GC-MS(BPX-5)	no
Bacteria	Klebsiella Pneumoniae	tryptic soy broth	SPME, GC-MS	yes
Bacteria	Lactobacillus Casei	MRS agar	GC-IMS	yes
Bacteria	Lactobacillus Lactis Subsp. Cremoris	MRS agar	GC-IMS	yes
Bacteria	Lactobacillus Lactis Subsp. Lactis	MRS agar	GC-IMS	yes
Bacteria	Lactobacillus Paracasei Subsp Paracasei	MRS agar	GC-IMS	yes
Bacteria	Lactobacillus Sakei CIRM467T	curd-based broth medium	GC/MS	Yes
Bacteria	Paenibacillus Polymyxa E681	Tryptic soy agar	SPME coupled with GC-MS
Bacteria	Proteus Penneri YMF3Â·00016	LB medium	SPME-GC/MS	No
Bacteria	Proteus Vulgaris Sp.	LB medium	SPME-GC/MS	No
Bacteria	Pseudochrobactrum Asaccharolyticum YMF3Â·00201	LB medium	SPME-GC/MS	No
Bacteria	Saccharomonospora Rectivirgula DSM 43113	Nutrient agar CM3	GC/MS
Bacteria	Saccharomonospora Viridis DSM 43017	Nutrient agar CM3	GC/MS
Bacteria	Salmonella Enterica	n/a	n/a
Bacteria	Serratia Spp. B2675	n/a	n/a
Bacteria	Serratia Spp. B675	n/a	n/a
Bacteria	Staphylococcus Aureus		GCMS DSQ	no
Bacteria	Streptococcus Dysgalactiae		GCMS DSQ	no
Bacteria	Streptococcus Uberis		GCMS DSQ	no
Bacteria	Thermoactinomyces Vulgaris DSM 43016	Nutrient agar CM3	GC/MS
Bacteria	Thermomonospora Fusca DSM 43792	Nutrient agar CM3	GC/MS
Fungi	Candida Tropicalis	n/a	n/a
Fungi	Muscodor Crispans	potato dextrose agar	SPME-GC-MS
Fungi	Paecilomyces Variotii Bain	DG18	GC/MS
Fungi	Penicillium Commune Pitt	DG18	GC/MS
Fungi	Phialophora Fastigiata Conant	DG18	GC/MS
Fungi	Phoma Sp.	n/a	Solid phase microextraction (SPME)
Fungi	Saccharomyces Cerevisiae Y1001	n/a	n/a
Fungi	Trichodema Pseudokoningii	Low medium	GC/MS
Fungi	Trichodema Viride	Malt extract/Low medium	GC/MS
Fungi	Tuber Simonea	None	Pressure balanced head-space sampling and GC/TOF-MS	No
Fungi	Tuber Aestivum	n/a	Pressure balanced head-space sampling and GC/TOF-MS
Fungi	Tuber Brumale	n/a	Pressure balanced head-space sampling and GC/TOF-MS
Fungi	Tuber Melanosporum	n/a	Pressure balanced head-space sampling and GC/TOF-MS
Fungi	Tuber Mesentericum	n/a	Pressure balanced head-space sampling and GC/TOF-MS
Fungi	Tuber Miesentericum	None	Pressure balanced head-space sampling and GC/TOF-MS	No
Fungi	Tuber Rufum	n/a	Pressure balanced head-space sampling and GC/TOF-MS
Fungi	Tuber Simonea	n/a	Pressure balanced head-space sampling and GC/TOF-MS
Fungi	Tuber Uncinatum	n/a	SPME-GC-MS
Bacteria	Achromobacter Xylosoxidans AF411019	LB liquid	SPME-GC/MS
Bacteria	Arthrobacter Nicotianae JQ071518	LB liquid	SPME-GC/MS
Bacteria	Mycobacterium Bovis	Loewenstein-Jensen media	Headspace analyze / SIFT-MS and TD-GC-MS.
Bacteria	Wautersiella Falsenii AM238687	LB liquid	SPME-GC/MS
Bacteria	Cyanobacteria	n/a	n/a
Bacteria	Pseudomonas Perolens ATCC 10757	Trypticase soil agar (BBL)	GC/MS
Fungi	Tuber Aestivum	n/a	microextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)
Fungi	Tuber Brumale	n/a	microextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)
Fungi	Tuber Melanosporum	n/a	microextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)
Fungi	Tuber Mesentericum	n/a	microextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)
Fungi	Tuber Panniferum	n/a	microextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)

Undecan-2-one

Mass-Spectra

Compound Details

Synonymous names

Methylnonylketone

UNDECANONE

KYWIYKKSMDLRDC-UHFFFAOYSA-N

Rue ketone

Nonyl methyl ketone

Methyl nonyl ketone

2-Hendecanone

2-Oxoundecane

2-Undecanone

AC1L1QEM

2-undecanon

Methyl Nonyl Ketone FCC

YV5DSO8CY9

METHYL N-NONYL KETONE

Ketone, methyl nonyl

AC1Q5H8X

UNII-YV5DSO8CY9

Undecan-2-one

KSC176M2T

L352

MGK Dog and Cat Repellent

ACMC-1C77Q

Mgk dog & cat repellent

NSC4028

U0006

CTK0H6629

DB08688

SCHEMBL117635

SCHEMBL249443

Undecanone-(2)

C01875

HSDB 7431

WLN: 9V1

2-Undecanone (natural)

SBB060389

AN-1415

NSC-4028

NSC 4028

STL146552

LS-3143

LP003930

Jsp000923

BBL011441

CHEMBL1236582

DTXSID2021943

ZINC1529305

CHEBI:17700

DSSTox_CID_1943

A802493

DSSTox_GSID_21943

ANW-16393

Caswell No. 573O

2-Undecanone, 99%

LMFA12000002

BB_SC-6944

MFCD00009583

DSSTox_RID_76418

AI3-03081

TR-002375

ST51046579

RTR-002375

Q-201393

EPA Pesticide Chemical Code 044102

Methyl nonyl ketone (MNK)
Nonyl methyl ketone
Methyldecananone
2-Hendecanone
Undecanone
IBI-246

BB_SC-06944

AKOS005720838

FEMA No. 3093

FT-0613466

BRN 1749573

I14-10598

2-Undecanone, natural, FCC, FG

Tox21_301385

112-12-9

MCULE-6858373499

NCGC00255160-01

NCGC00164003-01

CAS-112-12-9

EINECS 203-937-5

53452-70-3

2-Undecanone, >=98%, FCC, FG

MolPort-003-933-723

IUPAC name

undecan-2-one

SMILES

CCCCCCCCCC(=O)C

Inchi

InChI=1S/C11H22O/c1-3-4-5-6-7-8-9-10-11(2)12/h3-10H2,1-2H3

Formula

C₁₁H₂₂O

PubChem ID

8163

Molweight

170.296

LogP

3.92

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

Ketones Ketone

mVOC Specific Details

Boiling Point

Degree	Reference
231.5 deg C	Lide, D.R., G.W.A. Milne (eds.). Handbook of Data on Organic Compounds. Volume I. 3rd ed. CRC Press, Inc. Boca Raton ,FL. 1994., p. V5: 5176

Volatilization

The Henry's Law constant for 2-undecanone is 6.36X10-5 atm-cu m/mole(1). This Henry's Law constant indicates that 2-undecanone is expected to volatilize from water surfaces(2). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec)(2) is estimated as 13 hours(SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(2) is estimated as 11 days(SRC). 2-Undecanone's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). 2-Undecanone is not expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 4.1X10-2 mm Hg(3).
Literature: (1) Buttery RG et al: J Agric Food Chem 17:385-9 (1960) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (3) Perry RH, Green D; Perry's Chemical Handbook. Physical and Chemical data. NY,NY: McGraw-Hill 6th ed (1984)

Solubility

Insoluble in water. Soluble in ethanol, ether, acetone, benzene, carbon tetrachloride, chloroform.
Literature: Lide, D.R., G.W.A. Milne (eds.). Handbook of Data on Organic Compounds. Volume I. 3rd ed. CRC Press, Inc. Boca Raton ,FL. 1994., p. V5: 5176
Literature: #In water, 20 mg/L at 25 deg C (est)
Literature: US EPA; Estimation Program Interface (EPI) Suite. Ver.3.12. Nov 30, 2004. Available from, as of Mar 3, 2006: http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm

Soil Adsorption

Using a structure estimation method based on molecular connectivity indices(1), the Koc of 2-undecanone can be estimated to be 278(SRC). According to a classification scheme(2), this estimated Koc value suggests that 2-undecanone is expected to have moderate mobility in soil.
Literature: (1) Meylan WM et al; Environ Sci Technol 26: 1560-67 (1992) (2) Swann RL et al; Res Rev 85: 17-28 (1983)

Vapor Pressure

Pressure	Reference
4.1X10-2 mm Hg	Perry RH, Green D; Perry's Chemical Handbook. Physical and Chemical data. NY, NY: McGraw-Hill 6th ed (1984)

MS-Links

MS-MS Spectrum 131752

MS-MS Spectrum 72760

MS-MS Spectrum 131751

MS-MS Spectrum 72761

MS-MS Spectrum 131753

MS-MS Spectrum 72759

Microorganisms emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Bacteria	Bacillus Amyloliquefaciens IN937a	triggers induced systemic resistance (ISR) in Arabidopsis	na	Ryu et al., 2004
Bacteria	Bacillus Cereus ATCC 14570		American Type Culture Collection (ATCC), Rockville, MD or wild strains identified at the University of Kentucky Dept. of Animal Sciences Food Microbiology Laboratory	Elgaali et al. 2002
Bacteria	Bacillus Polymyxa ATCC 842		American Type Culture Collection (ATCC), Rockville, MD or wild strains identified at the University of Kentucky Dept. of Animal Sciences Food Microbiology Laboratory	Elgaali et al. 2002
Bacteria	Bacillus Simplex	Reduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.		Gu et al., 2007
Bacteria	Bacillus Subtilis	Reduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.		Gu et al., 2007
Bacteria	Bacillus Subtilis GB03	triggers induced systemic resistance (ISR) in Arabidopsis	na	Ryu et al., 2004
Bacteria	Bacillus Weihenstephanensis	Reduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.		Gu et al., 2007
Bacteria	Burkholderia Ambifaria LMG 17828	n/a	Burkholderia ambifaria LMG 17828 from root, LMG 19182 from rhizosphere	Groenhagen et al., 2013
Bacteria	Burkholderia Ambifaria LMG 19182	n/a	Burkholderia ambifaria LMG 17828 from root, LMG 19182 from rhizosphere	Groenhagen et al., 2013
Bacteria	Burkholderia Andropogonis LMG 2129	n/a		Blom et al., 2011
Bacteria	Burkholderia Caribensis LMG 18531	n/a		Blom et al., 2011
Bacteria	Burkholderia Caryophylli LMG 2155	n/a		Blom et al., 2011
Bacteria	Burkholderia Cepacia LMG 1222	n/a		Blom et al., 2011
Bacteria	Burkholderia Cepacia LMG 1222 358		Rhizosphere	Blom et al., 2011
Bacteria	Burkholderia Fungorum LMG 16225	n/a		Blom et al., 2011
Bacteria	Burkholderia Gladioli LMG 2216	n/a		Blom et al., 2011
Bacteria	Burkholderia Glathei LMG 14190	n/a		Blom et al., 2011
Bacteria	Burkholderia Glumae LMG 2196	n/a		Blom et al., 2011
Bacteria	Burkholderia Graminis LMG 18924	n/a		Blom et al., 2011
Bacteria	Burkholderia Hospita LMG 20598	n/a		Blom et al., 2011
Bacteria	Burkholderia Lata LMG 22485	n/a		Blom et al., 2011
Bacteria	Burkholderia Lata LMG 6993	n/a		Blom et al., 2011
Bacteria	Burkholderia Phenazinium LMG 2247	n/a		Blom et al., 2011
Bacteria	Burkholderia Phenoliruptrix LMG 22037	n/a		Blom et al., 2011
Bacteria	Burkholderia Phytofirmans LMG 22487	n/a		Blom et al., 2011
Bacteria	Burkholderia Pyrrocinia LMG 21822	n/a		Blom et al., 2011
Bacteria	Burkholderia Terricola LMG 20594	n/a		Blom et al., 2011
Bacteria	Burkholderia Tropica LMG 22274	n/a		Blom et al., 2011
Bacteria	Burkholderia Xenovorans LMG 21463	n/a		Blom et al., 2011
Bacteria	Chromobacterium Violaceum CV0	n/a		Blom et al., 2011
Bacteria	Citrobacter Freundii ATCC 33128		American Type Culture Collection (ATCC), Rockville, MD or wild strains identified at the University of Kentucky Dept. of Animal Sciences Food Microbiology Laboratory	Elgaali et al. 2002
Bacteria	Corynebacterium Accolens V12028		clinical isolate	Lemfack et al. 2016
Bacteria	Corynebacterium Jeikeum V12131		clinical isolate	Lemfack et al. 2016
Bacteria	Corynebacterium Jeikeum V12209		clinical isolate	Lemfack et al. 2016
Bacteria	Corynebacterium Minutissimum ATCC 23348		clinical isolate,trunk of adult female	Lemfack et al. 2016
Bacteria	Corynebacterium Striatum RV2		clinical isolate	Lemfack et al. 2016
Bacteria	Corynebacterium Striatum V6894		clinical isolate	Lemfack et al. 2016
Bacteria	Enterobacter Aerogenes ATCC 13048		American Type Culture Collection (ATCC), Rockville, MD or wild strains identified at the University of Kentucky Dept. of Animal Sciences Food Microbiology Laboratory	Elgaali et al. 2002
Bacteria	Enterobacter Aerogenes KY2		American Type Culture Collection (ATCC), Rockville, MD or wild strains identified at the University of Kentucky Dept. of Animal Sciences Food Microbiology Laboratory	Elgaali et al. 2002
Bacteria	Enterobacter Cloacae ATCC 13047		American Type Culture Collection (ATCC), Rockville, MD or wild strains identified at the University of Kentucky Dept. of Animal Sciences Food Microbiology Laboratory	Elgaali et al. 2002
Bacteria	Enterococcus Durans ATCC 19432		American Type Culture Collection (ATCC), Rockville, MD or wild strains identified at the University of Kentucky Dept. of Animal Sciences Food Microbiology Laboratory	Elgaali et al. 2002
Bacteria	Enterococcus Faecium ATCC 19434		American Type Culture Collection (ATCC), Rockville, MD or wild strains identified at the University of Kentucky Dept. of Animal Sciences Food Microbiology Laboratory	Elgaali et al. 2002
Bacteria	Escherichia Coli	n/a		Elgaali et al., 2002
Bacteria	Escherichia Coli ATCC 25922		American Type Culture Collection (ATCC), Rockville, MD or wild strains identified at the University of Kentucky Dept. of Animal Sciences Food Microbiology Laboratory	Elgaali et al. 2002
Bacteria	Escherichia Coli O157:H7		China Center of Industrial culture Collection, China General Microbiological Culture Collection Center	Chen et Al. 2016
Bacteria	Escherichia Coli OP50	n/a		Blom et al., 2011
Bacteria	Klebsiella Pneumoniae	n/a		Elgaali et al., 2002
Bacteria	Lactobacillus Lactis ATCC 11454		American Type Culture Collection (ATCC), Rockville, MD or wild strains identified at the University of Kentucky Dept. of Animal Sciences Food Microbiology Laboratory	Elgaali et al. 2002
Bacteria	Lactobacillus Lactis ATCC 11955		American Type Culture Collection (ATCC), Rockville, MD or wild strains identified at the University of Kentucky Dept. of Animal Sciences Food Microbiology Laboratory	Elgaali et al. 2002
Bacteria	Lactobacillus Rhamnosus LSL 222	na	na	PogaÄiÄ‡ et al., 2016
Bacteria	Leuconostoc Mesenteroides ATCC 8086		American Type Culture Collection (ATCC), Rockville, MD or wild strains identified at the University of Kentucky Dept. of Animal Sciences Food Microbiology Laboratory	Elgaali et al. 2002
Bacteria	Listeria Monocytogenes ATCC 19115		American Type Culture Collection (ATCC), Rockville, MD or wild strains identified at the University of Kentucky Dept. of Animal Sciences Food Microbiology Laboratory	Elgaali et al. 2002
Bacteria	Microbacterium Oxydans	Reduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.		Gu et al., 2007
Bacteria	Pandoraea Norimbergensis LMG 18379	n/a		Blom et al., 2011
Bacteria	Pseudomonas Aeruginosa PA01	na	na	Briard et al., 2016
Bacteria	Pseudomonas Aurantiaca	n/a		Fernando et al., 2005
Bacteria	Pseudomonas Brassicacearum USB2101	reduces mycelium growth and sclerotia germination of Sclerotinia sclerotiorum USB-F593; lyses red blood cells	rhizosphere of bean plants, southern Italy	Giorgio et al., 2015
Bacteria	Pseudomonas Brassicacearum USB2102	reduces mycelium growth and sclerotia germination of Sclerotinia sclerotiorum USB-F593; lyses red blood cells	rhizosphere of bean plants, southern Italy	Giorgio et al., 2015
Bacteria	Pseudomonas Brassicacearum USB2104	reduces mycelium growth and sclerotia germination of Sclerotinia sclerotiorum USB-F593; lyses red blood cells	rhizosphere of bean plants, southern Italy	Giorgio et al., 2015
Bacteria	Pseudomonas Chlororaphis	n/a		Fernando et al., 2005
Bacteria	Pseudomonas Chlororaphis 450	inhibits growth of Synechococcus sp. PCC 7942 and Rhizoctonia solani, kills Caenorhabditis elegans	Rhizosphere of maize, Kiev region, Ukraine	Popova et al., 2014
Bacteria	Pseudomonas Corrugate	n/a		Fernando et al., 2005
Bacteria	Pseudomonas Fluorescens	n/a		Fernando et al., 2005
Bacteria	Pseudomonas Fluorescens ATCC 13525		American Type Culture Collection (ATCC), Rockville, MD or wild strains identified at the University of Kentucky Dept. of Animal Sciences Food Microbiology Laboratory	Elgaali et al. 2002
Bacteria	Pseudomonas Fluorescens WCS 417r	n/a		Blom et al., 2011
Bacteria	Pseudomonas Jessenii S34	na	phyllosphere of field-grown potato plants	Hunziker et al., 2015
Bacteria	Pseudomonas Putida ISOf	n/a		Blom et al., 2011
Bacteria	Pseudomonas Putida USB2105	reduces mycelium growth and sclerotia germination of Sclerotinia sclerotiorum USB-F593; lyses red blood cells	rhizosphere of bean plants, southern Italy	Giorgio et al., 2015
Bacteria	Pseudomonas Tolaasii NCPPB 2192	na	na	Cantore et al., 2015
Bacteria	Pseudomonas Tolaasii USB66	na	na	Cantore et al., 2015
Bacteria	Salmonella Enterica Serovar Enteritidis		China Center of Industrial culture Collection, China General Microbiological Culture Collection Center	Chen et Al. 2016
Bacteria	Salmonella Paratyphi KY		American Type Culture Collection (ATCC), Rockville, MD or wild strains identified at the University of Kentucky Dept. of Animal Sciences Food Microbiology Laboratory	Elgaali et al. 2002
Bacteria	Schewanella Putrefaciens ATCC 8071		American Type Culture Collection (ATCC), Rockville, MD or wild strains identified at the University of Kentucky Dept. of Animal Sciences Food Microbiology Laboratory	Elgaali et al. 2002
Bacteria	Serratia Entomophilia A1MO2	n/a		Blom et al., 2011
Bacteria	Serratia Marcescens	Reduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.		Gu et al., 2007
Bacteria	Serratia Marcescens Db11	n/a		Weise et al., 2014
Bacteria	Serratia Marcescens MG1	n/a		Blom et al., 2011
Bacteria	Serratia Odorifera DSM 4582	n/a		Weise et al., 2014
Bacteria	Serratia Plymuthica 4Rx13	n/a		Weise et al., 2014
Bacteria	Serratia Plymuthica AS9	n/a		Weise et al., 2014
Bacteria	Serratia Plymuthica HRO-C48	n/a		Blom et al., 2011
Bacteria	Serratia Plymuthica IC14	n/a		Blom et al., 2011
Bacteria	Serratia Proteamaculans 568	n/a		Weise et al., 2014
Bacteria	Serratia Proteamaculans B5a	n/a		Blom et al., 2011
Bacteria	Serratia Spp. B2675	n/a		Bruce et al., 2004
Bacteria	Serratia Spp. B675	n/a		Bruce et al., 2004
Bacteria	Shigella Flexneri CGCMCC 1.1868		China Center of Industrial culture Collection, China General Microbiological Culture Collection Center	Chen et Al. 2016
Bacteria	Shigella Sonnei		American Type Culture Collection (ATCC), Rockville, MD or wild strains identified at the University of Kentucky Dept. of Animal Sciences Food Microbiology Laboratory	Elgaali et al. 2002
Bacteria	Shigella Sonnei ATCCV 25931		American Type Culture Collection (ATCC), Rockville, MD or wild strains identified at the University of Kentucky Dept. of Animal Sciences Food Microbiology Laboratory	Elgaali et al. 2002
Bacteria	Staphylococcus Epidermidis ATCC 12228			Lemfack et al. 2016
Bacteria	Staphylococcus Epidermidis ATCC 14990		clinical isolate,nose	Lemfack et al. 2016
Bacteria	Staphylococcus Epidermidis DSM 3269		clinical isolate,catheter	Lemfack et al. 2016
Bacteria	Staphylococcus Epidermidis RP62A		clinical isolate,catheter	Lemfack et al. 2016
Bacteria	Staphylococcus Haemolyticus CCM 2729		clinical isolate,human skin	Lemfack et al. 2016
Bacteria	Staphylococcus Saccharolyticus B5709		clinical isolate	Lemfack et al. 2016
Bacteria	Staphylococcus Schleiferi DSMZ 4807		clinical isolate	Lemfack et al. 2016
Bacteria	Staphylococcus Schleiferi H34		clinical isolate	Lemfack et al. 2016
Bacteria	Staphylococcus Schleiferi V431		clinical isolate	Lemfack et al. 2016
Bacteria	Staphylococcus Warneri CCM 2730		clinical isolate,human skin	Lemfack et al. 2016
Bacteria	Stenotrophomonas Maltophilia	Reduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.		Gu et al., 2007
Bacteria	Stenotrophomonas Rhizophilla Ep10-p69	n/a		Blom et al., 2011
Bacteria	Streptococcus Agalactiae ATCC 27541		American Type Culture Collection (ATCC), Rockville, MD or wild strains identified at the University of Kentucky Dept. of Animal Sciences Food Microbiology Laboratory	Elgaali et al. 2002
Bacteria	Streptococcus Thermophilus ATCC 14485		American Type Culture Collection (ATCC), Rockville, MD or wild strains identified at the University of Kentucky Dept. of Animal Sciences Food Microbiology Laboratory	Elgaali et al. 2002
Bacteria	Streptomyces Lateritius	Reduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.		Gu et al., 2007
Fungi	Aspergillus Sp.			Takeuchi et al. 2015
Fungi	Fusarium Solani			Takeuchi et al. 2013
Fungi	Ganoderma Lucidum	na	saprophytic on deciduous trees	Ziegenbein et al., 2006
Fungi	Penicillium Spp			Takeuchi et al. 2016
Fungi	Pleurotus Cystidiosus	na	na	Usami et al., 2014
Fungi	Pleurotus Eryngii Var. Tuoliensis	na	na	Usami et al., 2014
Fungi	Spongiporus Leucomallellus	na	saprophytic mostly on wet, old pines	Ziegenbein et al., 2006
Fungi	Trichoderma Atroviride	na	water damaged buildings, Belgium	Polizzi et al., 2012
Fungi	Trichoderma Atroviride ATCC 74058	n/a		Stoppacher et al., 2010
Fungi	Trichoderma Reesei			Crutcher et al., 2013
Fungi	Trichoderma Virens			Crutcher et al., 2013
Fungi	Tuber Aestivum	n/a	Agricultural Centre of Castilla and LeÃƒÂ³n Community (Monasterio de la Santa Espina, Valladolid, Spain) and Navaleno (Soria, Spain).	Diaz et al., 2003
Fungi	Tuber Borchii	None	T. melanosporum, T. borchii were collected from northern Italy (Piedmont) and T. indicum from Yunnan and Sichuan Provinces (China).	Splivallo et al., 2007b
Fungi	Tuber Melanosporum	n/a	Agricultural Centre of Castilla and LeÃƒÂ³n Community (Monasterio de la Santa Espina, Valladolid, Spain) and Navaleno (Soria, Spain).	Diaz et al., 2003
Bacteria	Serratia Sp.	Might be involved in inhibition of fungal growth.		Schulz and Dickschat, 2007
Bacteria	Stigmatella Aurantiaca DW4/3-1	n/a		Dickschat et al., 2005_5
Bacteria	Stigmatella Aurantiaca Sg A15	n/a		Dickschat et al., 2005_5
Bacteria	Wautersiella Falsenii AM238687	Nematicidal activity	cow dung	XU et al., 2015
Bacteria	Xanthomonas Campestris Pv. Vesicatoria 85-10	n/a		Weise et al., 2012

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Bacteria	Bacillus Amyloliquefaciens IN937a	Murashige and Skoog medium	capillary GC;GC/MS	Yes
Bacteria	Bacillus Cereus ATCC 14570	TS broth	GC-MS SPME	yes
Bacteria	Bacillus Polymyxa ATCC 842	TS broth	GC-MS SPME	yes
Bacteria	Bacillus Simplex	n/a	n/a
Bacteria	Bacillus Subtilis	n/a	n/a
Bacteria	Bacillus Subtilis GB03	Murashige and Skoog medium	capillary GC;GC/MS	Yes
Bacteria	Bacillus Weihenstephanensis	n/a	n/a
Bacteria	Burkholderia Ambifaria LMG 17828	Luria-Bertani medium, Malt Extract	n/a
Bacteria	Burkholderia Ambifaria LMG 19182	Luria-Bertani medium, Malt Extract	n/a
Bacteria	Burkholderia Andropogonis LMG 2129	LB and Angle	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria	Burkholderia Caribensis LMG 18531	LB and Angle	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria	Burkholderia Caryophylli LMG 2155	MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria	Burkholderia Cepacia LMG 1222	MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria	Burkholderia Cepacia LMG 1222 358	MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	Yes
Bacteria	Burkholderia Fungorum LMG 16225	LB and MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria	Burkholderia Gladioli LMG 2216	LB, MR-VP and MS	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria	Burkholderia Glathei LMG 14190	LB	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria	Burkholderia Glumae LMG 2196	MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria	Burkholderia Graminis LMG 18924	LB and MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria	Burkholderia Hospita LMG 20598	LB and MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria	Burkholderia Lata LMG 22485	Angle	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria	Burkholderia Lata LMG 6993	MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria	Burkholderia Phenazinium LMG 2247	LB and MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria	Burkholderia Phenoliruptrix LMG 22037	LB	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria	Burkholderia Phytofirmans LMG 22487	LB and MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria	Burkholderia Pyrrocinia LMG 21822	LB and MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria	Burkholderia Terricola LMG 20594	LB and MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria	Burkholderia Tropica LMG 22274	LB	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria	Burkholderia Xenovorans LMG 21463	LB	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria	Chromobacterium Violaceum CV0	LB and MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria	Citrobacter Freundii ATCC 33128	TS broth	GC-MS SPME	yes
Bacteria	Corynebacterium Accolens V12028	brain heart infusion medium	Porapak / GC/MS	no
Bacteria	Corynebacterium Jeikeum V12131	brain heart infusion medium	Porapak / GC/MS	no
Bacteria	Corynebacterium Jeikeum V12209	brain heart infusion medium	Porapak / GC/MS	no
Bacteria	Corynebacterium Minutissimum ATCC 23348	brain heart infusion medium	Porapak / GC/MS	no
Bacteria	Corynebacterium Striatum RV2	brain heart infusion medium	Porapak / GC/MS	no
Bacteria	Corynebacterium Striatum V6894	brain heart infusion medium	Porapak / GC/MS	no
Bacteria	Enterobacter Aerogenes ATCC 13048	TS broth	GC-MS SPME	yes
Bacteria	Enterobacter Aerogenes KY2	TS broth	GC-MS SPME	yes
Bacteria	Enterobacter Cloacae ATCC 13047	TS broth	GC-MS SPME	yes
Bacteria	Enterococcus Durans ATCC 19432	TS broth	GC-MS SPME	yes
Bacteria	Enterococcus Faecium ATCC 19434	TS broth	GC-MS SPME	yes
Bacteria	Escherichia Coli	TS broth	HS-SPME/GC-MS
Bacteria	Escherichia Coli ATCC 25922	TS broth	GC-MS SPME	yes
Bacteria	Escherichia Coli O157:H7	Trypticase Soy Broth (TSB)	HS-SPME/'GC-MS	no
Bacteria	Escherichia Coli OP50	MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria	Klebsiella Pneumoniae	TS broth	HS-SPME/GC-MS
Bacteria	Lactobacillus Lactis ATCC 11454	TS broth	GC-MS SPME	yes
Bacteria	Lactobacillus Lactis ATCC 11955	TS broth	GC-MS SPME	yes
Bacteria	Lactobacillus Rhamnosus LSL 222	curd-based broth medium	GC/MS	Yes
Bacteria	Leuconostoc Mesenteroides ATCC 8086	TS broth	GC-MS SPME	yes
Bacteria	Listeria Monocytogenes ATCC 19115	TS broth	GC-MS SPME	yes
Bacteria	Microbacterium Oxydans	n/a	n/a
Bacteria	Pandoraea Norimbergensis LMG 18379	LB and MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria	Pseudomonas Aeruginosa PA01	minimal medium/ Brian medium	SPME-GC/MS	No
Bacteria	Pseudomonas Aurantiaca	n/a	n/a
Bacteria	Pseudomonas Brassicacearum USB2101	King's B Agar	SPME-GC/MS	No
Bacteria	Pseudomonas Brassicacearum USB2102	King's B Agar	SPME-GC/MS	No
Bacteria	Pseudomonas Brassicacearum USB2104	King's B Agar	SPME-GC/MS	No
Bacteria	Pseudomonas Chlororaphis	n/a	n/a
Bacteria	Pseudomonas Chlororaphis 450	LB medium	SPME-GC/MS	No
Bacteria	Pseudomonas Corrugate	n/a	n/a
Bacteria	Pseudomonas Fluorescens	n/a	n/a
Bacteria	Pseudomonas Fluorescens ATCC 13525	TS broth	GC-MS SPME	yes
Bacteria	Pseudomonas Fluorescens WCS 417r	LB and MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria	Pseudomonas Jessenii S34	LB medium	GC/MS	Yes
Bacteria	Pseudomonas Putida ISOf	LB and MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria	Pseudomonas Putida USB2105	King's B Agar	SPME-GC/MS	No
Bacteria	Pseudomonas Tolaasii NCPPB 2192	KB	SPME-GC
Bacteria	Pseudomonas Tolaasii USB66	KB	SPME-GC
Bacteria	Salmonella Enterica Serovar Enteritidis	Trypticase Soy Broth (TSB)	HS-SPME/'GC-MS	no
Bacteria	Salmonella Paratyphi KY	TS broth	GC-MS SPME	yes
Bacteria	Schewanella Putrefaciens ATCC 8071	TS broth	GC-MS SPME	yes
Bacteria	Serratia Entomophilia A1MO2	LB and MS	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria	Serratia Marcescens	n/a	n/a
Bacteria	Serratia Marcescens Db11	NBII	Headspace trapping/ GC-MS
Bacteria	Serratia Marcescens MG1	LB, MS, Angle and MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria	Serratia Odorifera DSM 4582	NBII	Headspace trapping/ GC-MS
Bacteria	Serratia Plymuthica 4Rx13	NBII	Headspace trapping/ GC-MS
Bacteria	Serratia Plymuthica AS9	NBII	Headspace trapping/ GC-MS
Bacteria	Serratia Plymuthica HRO-C48	LB, MS and MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria	Serratia Plymuthica IC14	LB, MS, Angle and MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria	Serratia Proteamaculans 568	NBII	Headspace trapping/ GC-MS
Bacteria	Serratia Proteamaculans B5a	LB, MS and MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria	Serratia Spp. B2675	n/a	n/a
Bacteria	Serratia Spp. B675	n/a	n/a
Bacteria	Shigella Flexneri CGCMCC 1.1868	Trypticase Soy Broth (TSB)	HS-SPME/'GC-MS	no
Bacteria	Shigella Sonnei	TS broth	GC-MS Super Q	yes
Bacteria	Shigella Sonnei ATCCV 25931	TS broth	GC-MS SPME	yes
Bacteria	Staphylococcus Epidermidis ATCC 12228	brain heart infusion medium	Porapak / GC/MS	no
Bacteria	Staphylococcus Epidermidis ATCC 14990	brain heart infusion medium	Porapak / GC/MS	no
Bacteria	Staphylococcus Epidermidis DSM 3269	brain heart infusion medium	Porapak / GC/MS	no
Bacteria	Staphylococcus Epidermidis RP62A	brain heart infusion medium	Porapak / GC/MS	no
Bacteria	Staphylococcus Haemolyticus CCM 2729	brain heart infusion medium	Porapak / GC/MS	no
Bacteria	Staphylococcus Saccharolyticus B5709	brain heart infusion medium	Porapak / GC/MS	no
Bacteria	Staphylococcus Schleiferi DSMZ 4807	brain heart infusion medium	Porapak / GC/MS	no
Bacteria	Staphylococcus Schleiferi H34	brain heart infusion medium	Porapak / GC/MS	no
Bacteria	Staphylococcus Schleiferi V431	brain heart infusion medium	Porapak / GC/MS	no
Bacteria	Staphylococcus Warneri CCM 2730	brain heart infusion medium	Porapak / GC/MS	no
Bacteria	Stenotrophomonas Maltophilia	n/a	n/a
Bacteria	Stenotrophomonas Rhizophilla Ep10-p69	LB	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria	Streptococcus Agalactiae ATCC 27541	TS broth	GC-MS SPME	yes
Bacteria	Streptococcus Thermophilus ATCC 14485	TS broth	GC-MS SPME	yes
Bacteria	Streptomyces Lateritius	n/a	n/a
Fungi	Aspergillus Sp.			no
Fungi	Fusarium Solani			no
Fungi	Ganoderma Lucidum	na	GC/MS	No
Fungi	Penicillium Spp			no
Fungi	Pleurotus Cystidiosus	na	GC/MS, GC-O, AEDA	No
Fungi	Pleurotus Eryngii Var. Tuoliensis	na	GC/MS, GC-O, AEDA	No
Fungi	Spongiporus Leucomallellus	na	GC/MS	No
Fungi	Trichoderma Atroviride	malt extract agar; potato dextrose agar; water agar; yeast extract agar; Czapek agar	SPME-GC/MS	No
Fungi	Trichoderma Atroviride ATCC 74058	Potato dextrose agar	HS-SPME/GC-MS
Fungi	Trichoderma Reesei	Potato dextrose agar	HS-SPME/GC-MS	no
Fungi	Trichoderma Virens	Potato dextrose agar	HS-SPME/GC-MS	no
Fungi	Tuber Aestivum	n/a	n/a
Fungi	Tuber Borchii	None	None	Yes
Fungi	Tuber Melanosporum	n/a	n/a
Bacteria	Serratia Sp.	n/a	n/a
Bacteria	Stigmatella Aurantiaca DW4/3-1	n/a	n/a
Bacteria	Stigmatella Aurantiaca Sg A15	n/a	n/a
Bacteria	Wautersiella Falsenii AM238687	LB liquid	SPME-GC/MS
Bacteria	Xanthomonas Campestris Pv. Vesicatoria 85-10	NBII	Closed airflow-system/GC-MS and PTR-MS

Decanal

Mass-Spectra

Compound Details

Synonymous names

Caprinaldehyde

Decanaldehyde

Capraldehyde

DECALDEHYDE

Caprinic aldehyde

KSMVZQYAVGTKIV-UHFFFAOYSA-N

KSMVZQYAVGTKIV-UHFFFAOYSA-

n-DECYLALDEHYDE

Capric aldehyde

Decylic aldehyde

Decanal

n-Decaldehyde

Decyl aldehyde

n-Decanal

Decanal, analytical standard

n-Decyl aldehyde

AC1Q2VYO

AC1L1QFM

1-Decanal

Aldehyde C10

1-Decyl aldehyde

SCHEMBL2540

Decanal (natural)

KSC176G3J

U211

NSC6087

ACMC-1C59Q

C-10 aldehyde

D0032

CTK0H6334

Aldehyde C-10

HSDB 288

31Z90Q7KQJ

WLN: VH9

HMDB11623

NE10468

N-decanal (capric aldehyde)

1-Decanal(mixed isomers)

C12307

UNII-31Z90Q7KQJ

LS-2367

CHEMBL2228377

LP001404

NSC 6087

NSC-6087

DTXSID4021553

SBB058676

Jsp000949

ZINC1693270

A802551

CHEBI:31457

DSSTox_CID_1553

ANW-16447

AN-22691

Natural Decanal(C-10)

KB-49635

EBD2219840

SC-22770

DSSTox_GSID_21553

AK-44487

TRA0073044

MFCD00007031

LMFA06000052

DSSTox_RID_76207

ST24030299

AI3-04860

DB-041074

ST51037233

RTR-002413

TR-002413

AKOS000120018

S14-1463

J-002749

FEMA No. 2362

BRN 1362530

FT-0631643

I14-13645

Decanal, natural, >=97%, FG

Tox21_302656

EN300-20146

112-81-2

112-31-2

decanal (ACD/Name 4.0)

Decanal, >=95%, FCC, FG

NCGC00256769-01

CAS-112-31-2

Decanal, >=98% (GC), liquid

EINECS 203-957-4

MolPort-001-769-696

InChI=1/C10H20O/c1-2-3-4-5-6-7-8-9-10-11/h10H,2-9H2,1H3

IUPAC name

decanal

SMILES

CCCCCCCCCC=O

Inchi

InChI=1S/C10H20O/c1-2-3-4-5-6-7-8-9-10-11/h10H,2-9H2,1H3

Formula

C₁₀H₂₀O

PubChem ID

8175

Molweight

156.269

LogP

3.43

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

Aldehydes

mVOC Specific Details

Volatilization

The Henry's Law constant for decaldehyde is 1.8x10-3 atm-cu m/mole(1). This Henry's Law constant indicates that decaldehyde is expected to volatilize from water surfaces(2). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec)(2) is estimated as 2 hours(SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(2) is estimated as 5 days(SRC). Decaldehyde's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). Decaldehyde is not expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 0.103 mm Hg(3).
Literature: (1) Zhou X, Mopper K; Environ Sci Technol 24: 1482-5 (1990) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (3) Daubert TE, Danner RP; Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, DC: Taylor and Francis, (1989)

Solubility

In water 0.00156 mg/L at 25 deg C
Literature: Yalkowsky, S.H., He, Yan, Jain, P. Handbook of Aqueous Solubility Data Second Edition. CRC Press, Boca Raton, FL 2010, p. 739
Literature: #Soluble in ethanol, ether, acetone; slightly soluble in carbon tetrachloride
Literature: Haynes, W.M. (ed.). CRC Handbook of Chemistry and Physics. 95th Edition. CRC Press LLC, Boca Raton: FL 2014-2015, p. 3-142
Literature: #Soluble in 80% alcohol, fixed oils, volatile oils, mineral oil; insoluble in glycerol
Literature: Lewis, R.J. Sr.; Hawley's Condensed Chemical Dictionary 15th Edition. John Wiley & Sons, Inc. New York, NY 2007., p. 371

Soil Adsorption

Using a structure estimation method based on molecular connectivity indices(1), the Koc of decaldehyde can be estimated to be 70(SRC). According to a classification scheme(2), this estimated Koc value suggests that decaldehyde is expected to have very high mobility in soil.
Literature: (1) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.1. Nov, 2012. Available from, as of May 20, 2015: http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm (2) Swann RL et al; Res Rev 85: 17-28 (1983)

Vapor Pressure

Pressure	Reference
0.103 mm Hg at 25 deg C/ from experimentally derived coefficients	Daubert, T.E., R.P. Danner. Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, D.C.: Taylor and Francis, 1989.

MS-Links

MS-MS Spectrum 6463 - EI-B (HITACHI RMU-6M) Positive

MS-MS Spectrum 179988

MS-MS Spectrum 6461 - EI-B (HITACHI M-80B) Positive

MS-MS Spectrum 6462 - EI-B (HP 5970) Positive

MS-MS Spectrum 182324

MS-MS Spectrum 179990

MS-MS Spectrum 6460 - EI-B (HITACHI RMU-6M) Positive

MS-MS Spectrum 182323

MS-MS Spectrum 182322

MS-MS Spectrum 179989

1D-NMR-Links

1D NMR Spectrum 2159 - JEOL 400 MHz 1H NMR

1D NMR Spectrum 2846 - 50.18 MHz 13C NMR

1D NMR Spectrum 2048 - Bruker 600 MHz 1H NMR

Microorganisms emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Bacteria	Bacillus Amyloliquefaciens IN937a	triggers induced systemic resistance (ISR) in Arabidopsis	na	Ryu et al., 2004
Bacteria	Bacillus Simplex	Reduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.		Gu et al., 2007
Bacteria	Bacillus Subtilis	Reduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.		Gu et al., 2007
Bacteria	Bacillus Subtilis 168	triggers induced systemic resistance (ISR) in Arabidopsis	na	Ryu et al., 2004
Bacteria	Bacillus Subtilis GB03	triggers induced systemic resistance (ISR) in Arabidopsis	na	Ryu et al., 2004
Bacteria	Bacillus Weihenstephanensis	Reduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.		Gu et al., 2007
Bacteria	Biofilms A (Rivularia Sp./Calothrix Parietina Community)	n/a		Hoeckelmann et al., 2004
Bacteria	Burkholderia Hospita LMG 20598	n/a		Blom et al., 2011
Bacteria	Calothrix Parietina PCC 6303	n/a		Hoeckelmann et al., 2004
Bacteria	Calothrix Sp.	n/a		Hoeckelmann et al., 2004
Bacteria	Carnobacterium Divergens 9P	n/a		Ercolini et al., 2009
Bacteria	Collimonas Pratensis TER91	na	rhizosphere of Marram grass in sandy dune soils, Netherlands	Garbeva et al., 2014
Bacteria	Microbacterium Oxydans	Reduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.		Gu et al., 2007
Bacteria	Paenibacillus Sp. P4	na	rhizosphere of Marram grass in sandy dune soils, Netherlands	Garbeva et al., 2014
Bacteria	Pedobacter Sp. V48	na	rhizosphere of Marram grass in sandy dune soils, Netherlands	Garbeva et al., 2014
Bacteria	Phormidium Sp.	n/a		Hoeckelmann et al., 2004
Bacteria	Plectonema Notatum	n/a		Hoeckelmann et al., 2004
Bacteria	Plectonema Sp.	n/a		Hoeckelmann et al., 2004
Bacteria	Pseudomonas Fragi 25P	n/a		Ercolini et al., 2009
Bacteria	Rivularia Sp.	n/a		Hoeckelmann et al., 2004
Bacteria	Serratia Marcescens	Reduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.		Gu et al., 2007
Bacteria	Serratia Plymuthica PRI-2C	na	maize rhizosphere, Netherlands	Garbeva et al., 2014
Bacteria	Stenotrophomonas Maltophilia	Reduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.		Gu et al., 2007
Bacteria	Streptomyces Lateritius	Reduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.		Gu et al., 2007
Bacteria	Tolypothrix Distorta	n/a		Hoeckelmann et al., 2004
Fungi	Ascocoryne Sarcoides NRRL 50072	n/a		Mallette et al. 2012
Fungi	Cladosporium Cladosporiodes			Hedlund et al 1995
Fungi	Cladosporium Herbarum			Hedlund et al 1995
Fungi	Fusarium Graminearum 15AcDON	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum 15AcDON 1001ta	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum 15AcDON ZFR 29	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum 15AcDON_4	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum 15AcDON_5	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum 15AcDON_6	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum 15AcDON_7	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum 15AcDON_8	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum 15AcDON_9	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum 3AcDON 1002t	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum 3AcDON 11791	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum 3AcDON 1509	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum 3AcDON 8046	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum 3AcDON NRRL38369	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum 3AcDON NRRL6394	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum 3AcDON ZFR 15	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum 3AcDON ZFR 37	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum 3AcDON ZFR 51	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum NIV	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum NIV 357	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum NIV ZFR 119	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum NIV ZFR 23	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum NIV ZFR 48	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum NIV_5	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum NIV_6	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum NIV_7	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum NIV_8	n/a		Busko et al., 2014
Fungi	Mortierella Isabellina		mor horizon of a spruce forest soil southeastern Sweden	Bengtsson et al 1991
Fungi	Penicillium Paneum (Conidia)	n/a		Chitarra et al., 2004
Fungi	Penicillium Spinulosum			Hedlund et al 1995
Fungi	Trichodema Pseudokoningii	n/a		Wheatley et al., 1997
Fungi	Trichodema Viride	n/a		Wheatley et al., 1997
Fungi	Trichoderma Viride			Hung et al., 2013
Fungi	Tuber Aestivum	n/a	Agricultural Centre of Castilla and LeÃƒÂ³n Community (Monasterio de la Santa Espina, Valladolid, Spain) and Navaleno (Soria, Spain).	Diaz et al., 2003
Fungi	Ganoderma Lucidum	na	saprophytic on deciduous trees	Ziegenbein et al., 2006
Fungi	Spongiporus Leucomallellus	na	saprophytic mostly on wet, old pines	Ziegenbein et al., 2006

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Bacteria	Bacillus Amyloliquefaciens IN937a	Murashige and Skoog medium	capillary GC;GC/MS	Yes
Bacteria	Bacillus Simplex	n/a	n/a
Bacteria	Bacillus Subtilis	n/a	n/a
Bacteria	Bacillus Subtilis 168	Murashige and Skoog medium	capillary GC;GC/MS	Yes
Bacteria	Bacillus Subtilis GB03	Murashige and Skoog medium	capillary GC;GC/MS	Yes
Bacteria	Bacillus Weihenstephanensis	n/a	n/a
Bacteria	Biofilms A (Rivularia Sp./Calothrix Parietina Community)	n/a	n/a
Bacteria	Burkholderia Hospita LMG 20598	MS	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria	Calothrix Parietina PCC 6303	n/a	n/a
Bacteria	Calothrix Sp.	n/a	n/a
Bacteria	Carnobacterium Divergens 9P	n/a	n/a
Bacteria	Collimonas Pratensis TER91	sand containing artificial root exudates	GC/MS	No
Bacteria	Microbacterium Oxydans	n/a	n/a
Bacteria	Paenibacillus Sp. P4	sand containing artificial root exudates	GC/MS	No
Bacteria	Pedobacter Sp. V48	sand containing artificial root exudates	GC/MS	No
Bacteria	Phormidium Sp.	n/a	n/a
Bacteria	Plectonema Notatum	n/a	n/a
Bacteria	Plectonema Sp.	n/a	n/a
Bacteria	Pseudomonas Fragi 25P	n/a	n/a
Bacteria	Rivularia Sp.	n/a	n/a
Bacteria	Serratia Marcescens	n/a	n/a
Bacteria	Serratia Plymuthica PRI-2C	sand containing artificial root exudates	GC/MS	No
Bacteria	Stenotrophomonas Maltophilia	n/a	n/a
Bacteria	Streptomyces Lateritius	n/a	n/a
Bacteria	Tolypothrix Distorta	n/a	n/a
Fungi	Ascocoryne Sarcoides NRRL 50072	Minimal medium	PTR-MS and SPME GC-MS
Fungi	Cladosporium Cladosporiodes		GC-MS	no
Fungi	Cladosporium Herbarum		GC-MS	no
Fungi	Fusarium Graminearum 15AcDON	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum 15AcDON 1001ta	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum 15AcDON ZFR 29	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum 15AcDON_4	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum 15AcDON_5	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum 15AcDON_6	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum 15AcDON_7	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum 15AcDON_8	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum 15AcDON_9	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum 3AcDON 1002t	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum 3AcDON 11791	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum 3AcDON 1509	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum 3AcDON 8046	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum 3AcDON NRRL38369	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum 3AcDON NRRL6394	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum 3AcDON ZFR 15	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum 3AcDON ZFR 37	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum 3AcDON ZFR 51	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum NIV	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum NIV 357	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum NIV ZFR 119	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum NIV ZFR 23	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum NIV ZFR 48	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum NIV_5	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum NIV_6	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum NIV_7	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum NIV_8	yeast extract sucrose agar	SPME/GC-MS
Fungi	Mortierella Isabellina	malt extact agar	diethyl extraction, GC-MS	no
Fungi	Penicillium Paneum (Conidia)	Malt extract medium	Headspace analysis using a Fisons Instruments autosampler HS 800 (Interscience, Breda, The Netherlands) GC/MS.
Fungi	Penicillium Spinulosum		GC-MS	no
Fungi	Trichodema Pseudokoningii	Malt extract/Low medium	GC/MS
Fungi	Trichodema Viride	Malt extract/Low medium	GC/MS
Fungi	Trichoderma Viride	Malt extract agar	Headspace volatiles collected with colomn/TD-GC-MS	Yes
Fungi	Tuber Aestivum	n/a	n/a
Fungi	Ganoderma Lucidum	na	GC/MS	No
Fungi	Spongiporus Leucomallellus	na	GC/MS	No

Dodecane

Mass-Spectra

Compound Details

Synonymous names

Duodecane

DODECANE

SNRUBQQJIBEYMU-UHFFFAOYSA-N

Dihexyl

lauryl

dodecan

Bihexyl

Dodekan

Dodecane, analytical standard

N-Dodecan

n-Dodecane

Normal Paraffin M

D12

AC1L1QG7

Adakane 12

Undecane, methyl-

Norpar 13

U215

KSC175C3D

NSC8714

CHEMBL30959

Dodecane, 99%

CCRIS 661

S0284

CTK0H5131

D0968

n-Dodecan [German]

HSDB 5133

Dodecane, certified reference material, TraceCERT(R)

Dodecane, anhydrous, >=99%

11A386X1QH

C08374

WLN: 12H

LP003955

LP086061

NSC 8714

NSC-8714

STL280320

Jsp000956

DTXSID0026913

UNII-11A386X1QH

ZINC1531085

C12-14-alkanes

DSSTox_CID_6913

C12-n-alkane;

CHEBI:28817

DSSTox_GSID_26913

ANW-16463

AN-22698

LS-63438

DA-16704

SC-78851

EBD2203394

TRA0025406

DSSTox_RID_78250

UNII-FW7807707B component SNRUBQQJIBEYMU-UHFFFAOYSA-N

MFCD00008969

LMFA11000004

ACN-034829

RTR-002427

TR-002427

CH3(CH2)10CH3

AKOS015904160

Alkanes, C10-14

J-002767

FT-0625568

Dodecane, ReagentPlus(R), >=99%

BRN 1697175

I14-17881

Tox21_303615

112-40-3

I14-107531

Dodecane, technical, >=90% (GC)

NCGC00257481-01

MCULE-3947157412

NCGC00166012-01

CH3-[CH2]10-CH3

EINECS 203-967-9

EINECS 297-629-8

EINECS 300-199-7

CAS-112-40-3

Ba 51-090453

n-Dodecane, 99% 100ml

93924-07-3

93685-81-5

EC 300-199-7

MolPort-001-783-725

Density Standard 749 kg/m3, H&D Fitzgerald Ltd. Quality

Hydrocarbons, C4, 1,3-butadiene-free, polymd., triisobutylene fraction, hydrogenated

1310FACD-F2BF-4FD7-BC20-B21DF06EDE79

4-01-00-00498 (Beilstein Handbook Reference)

InChI=1/C12H26/c1-3-5-7-9-11-12-10-8-6-4-2/h3-12H2,1-2H

IUPAC name

dodecane

SMILES

CCCCCCCCCCCC

Inchi

InChI=1S/C12H26/c1-3-5-7-9-11-12-10-8-6-4-2/h3-12H2,1-2H3

Formula

C₁₂H₂₆

PubChem ID

8182

Molweight

170.34

LogP

5.8

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

Alkanes

mVOC Specific Details

Volatilization

The Henry's Law constant for dodecane is estimated as 8.2 atm-cu m/mole(SRC) derived from its vapor pressure, 0.135 mm Hg(1), and water solubility, 3.7X10-3 mg/L(2). This Henry's Law constant indicates that dodecane is expected to volatilize rapidly from water surfaces(3). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec)(3) is estimated as 4 hours(SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(3) is estimated as 5 days(SRC). However, volatilization from water surfaces is expected to be attenuated by adsorption to suspended solids and sediment in the water column. The estimated volatilization half-life from a model pond is 32 days if adsorption is considered(4). Dodecane's estimated Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). Dodecane is not expected to volatilize from dry soil surfaces(SRC) based upon its vapor pressure(1).
Literature: (1) Kertes AS; Hydrocarbons with Water and Seawater Part II. Hydrocarbons C8 to C31. Solubility Data Series Vol 38. Shaw PC, ed., London, UK: Pergamon Press, 553 pp (1989) (2) Daubert TE, Danner RP; Physical and Thermodynamic Properties of Pure Chemicals: Data Compilation. Design Inst Phys Prop Data, Amer Inst Chem Eng. New York, NY: Hemisphere Pub Corp 5 Vol (1994) (3) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (4) US EPA; EXAMS II Computer Simulation (1987)

Soil Adsorption

Using a structure estimation method based on molecular connectivity indices(1), the Koc of dodecane can be estimated to be 4800(SRC). According to a classification scheme(2), this estimated Koc value suggests that dodecane is expected to have slight mobility in soil. In a study conducted to mimic a spill of 1.27 L/sq m, dodecane (present in JP-4 jet fuel) was transported to a depth of 10 cm; at the end of the study (134 days), it was no longer detected(3). In another study, it was determined that dodecane is slowly intercalated into well dried montmorillonite clay(4).
Literature: (1) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.1. Nov, 2012. Available from, as of Aug 25, 2016: http://www2.epa.gov/tsca-screening-tools (2) Swann RL et al; Res Rev 85: 17-28 (1983) (3) Ross WD et al; Environmental Fate and Biological Consequences of Chemicals Related to Air Force Activities. NTIS AD-A121 288/5. Dayton, OH: Monsanto Res Corp. pp. 173 (1982) (4) Eltantawy IM, Arnold PW; Nature (London) Phys Sci 237: 123-25 (1972)

Vapor Pressure

Pressure	Reference
0.135 mm Hg at 25 deg C	Daubert, T.E., R.P. Danner. Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, D.C.: Taylor and Francis, 1989.

MS-Links

MS-MS Spectrum 78646

MS-MS Spectrum 139045

MS-MS Spectrum 78647

MS-MS Spectrum 139044

MS-MS Spectrum 78645

MS-MS Spectrum 139046

Microorganisms emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Bacteria	Stenotrophomonas Maltophilia		clinic	Preti., 2009
Bacteria	Alcaligenes Faecalis	n/a		Zou et al., 2007
Bacteria	Arthrobacter Nitroguajacolius	n/a		Zou et al., 2007
Bacteria	Azospirillum Brasilense Cd	promotion of performance of Chlorella sorokiniana Shih	culture collection DSMZ 1843	Amavizca et al. 2017
Bacteria	Bacillus Amyloliquefaciens FZB42		Agriculture University of Nanjing, China	Tahir et al. 2021
Bacteria	Bacillus Amyloliquefaciens IN937a	n/a		Lee et al., 2012
Bacteria	Bacillus Artrophaeus LSSC22		Agriculture University of Nanjing, China	Tahir et al. 2034
Bacteria	Bacillus Pumilus ES4	promotion of performance of Chlorella sorokiniana Shih		Amavizca et al. 2017
Bacteria	Bacillus Simplex	n/a		Gu et al., 2007
Bacteria	Bacillus Spp.	n/a		Zou et al., 2007
Bacteria	Bacillus Subtilis	n/a		Gu et al., 2007
Bacteria	Bacillus Subtilis GB03	n/a		Lee et al., 2012
Bacteria	Bacillus Weihenstephanensis	n/a		Gu et al., 2007
Bacteria	Escherichia Coli DH5a	promotion of performance of Chlorella sorokiniana Shih		Amavizca et al. 2017
Bacteria	Lysobacter Gummosus	n/a		Zou et al., 2007
Bacteria	Microbacterium Oxydans	n/a		Gu et al., 2007
Bacteria	Paenibacillus Polymyxa E681	n/a		Lee et al., 2012
Bacteria	Pseudomonas Aurantiaca	n/a		Fernando et al., 2005
Bacteria	Pseudomonas Chlororaphis	n/a		Fernando et al., 2005
Bacteria	Pseudomonas Corrugate	n/a		Fernando et al., 2005
Bacteria	Pseudomonas Fluorescens	n/a		Fernando et al., 2005
Bacteria	Pseudomonas Simiae AU	na	rhizosphere of a soybean field in the province of Rajasthan, India	Vaishnav et al., 2016
Bacteria	Serratia Marcescens	n/a		Gu et al., 2007
Bacteria	Sporosarcina Ginsengisoli	n/a		Zou et al., 2007
Bacteria	Stenotrophomonas Maltophilia	n/a		Zou et al., 2007
Bacteria	Streptomyces Lateritius	n/a		Gu et al., 2007
Fungi	Fusarium Graminearum 15AcDON	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum 15AcDON 1001ta	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum 15AcDON ZFR 29	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum 15AcDON_4	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum 15AcDON_5	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum 15AcDON_6	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum 15AcDON_7	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum 15AcDON_8	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum 15AcDON_9	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum 3AcDON 1002t	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum 3AcDON 11791	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum 3AcDON 1509	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum 3AcDON 8046	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum 3AcDON NRRL38369	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum 3AcDON NRRL6394	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum 3AcDON ZFR 15	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum 3AcDON ZFR 37	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum 3AcDON ZFR 51	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum NIV	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum NIV ZFR 119	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum NIV ZFR 23	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum NIV ZFR 48	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum NIV_5	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum NIV_6	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum NIV_7	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum NIV_8	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum NIV_9	n/a		Busko et al., 2014
Fungi	Penicillium Crustosum		compost	Fischer et al. 2058

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Bacteria	Stenotrophomonas Maltophilia	Blood agar/chocolate blood aga	HS-SPME/GC-MS	no
Bacteria	Alcaligenes Faecalis	n/a	n/a
Bacteria	Arthrobacter Nitroguajacolius	n/a	n/a
Bacteria	Azospirillum Brasilense Cd	TSA	SPME-GC	no
Bacteria	Bacillus Amyloliquefaciens FZB42	LB	SPME-GC-MS	no
Bacteria	Bacillus Amyloliquefaciens IN937a	Tryptic soy agar	SPME coupled with GC-MS
Bacteria	Bacillus Artrophaeus LSSC22	LB	SPME-GC-MS	no
Bacteria	Bacillus Pumilus ES4	TSA	SPME-GC	no
Bacteria	Bacillus Simplex	n/a	n/a
Bacteria	Bacillus Spp.	n/a	n/a
Bacteria	Bacillus Subtilis	n/a	n/a
Bacteria	Bacillus Subtilis GB03	Tryptic soy agar	SPME coupled with GC-MS
Bacteria	Bacillus Weihenstephanensis	n/a	n/a
Bacteria	Escherichia Coli DH5a	TSA	SPME-GC	no
Bacteria	Lysobacter Gummosus	n/a	n/a
Bacteria	Microbacterium Oxydans	n/a	n/a
Bacteria	Paenibacillus Polymyxa E681	Tryptic soy agar	SPME coupled with GC-MS
Bacteria	Pseudomonas Aurantiaca	n/a	n/a
Bacteria	Pseudomonas Chlororaphis	n/a	n/a
Bacteria	Pseudomonas Corrugate	n/a	n/a
Bacteria	Pseudomonas Fluorescens	n/a	n/a
Bacteria	Pseudomonas Simiae AU	Nutrient broth; King's B agar	GC/MS	No
Bacteria	Serratia Marcescens	n/a	n/a
Bacteria	Sporosarcina Ginsengisoli	n/a	n/a
Bacteria	Stenotrophomonas Maltophilia	n/a	n/a
Bacteria	Streptomyces Lateritius	n/a	n/a
Fungi	Fusarium Graminearum 15AcDON	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum 15AcDON 1001ta	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum 15AcDON ZFR 29	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum 15AcDON_4	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum 15AcDON_5	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum 15AcDON_6	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum 15AcDON_7	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum 15AcDON_8	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum 15AcDON_9	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum 3AcDON 1002t	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum 3AcDON 11791	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum 3AcDON 1509	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum 3AcDON 8046	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum 3AcDON NRRL38369	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum 3AcDON NRRL6394	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum 3AcDON ZFR 15	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum 3AcDON ZFR 37	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum 3AcDON ZFR 51	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum NIV	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum NIV ZFR 119	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum NIV ZFR 23	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum NIV ZFR 48	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum NIV_5	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum NIV_6	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum NIV_7	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum NIV_8	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum NIV_9	yeast extract sucrose agar	SPME/GC-MS
Fungi	Penicillium Crustosum	yest extract sucrose	Tenax/GC-MS	no

2-methylbutan-1-ol

Mass-Spectra

Compound Details

Synonymous names

QPRQEDXDYOZYLA-UHFFFAOYSA-N

sec-Butylcarbinol

DL-sec-Butylcarbinol

2-Methylbutanol

Primary active amyl alcohol

Active amyl alcohol

Active primary amyl alcohol

AC1L1RKY

2-Methylbutyl alcohol

dl-sec-Butyl carbinol

2-methyl butanol

2-methyl-butanol

ACMC-1AU5T

KSC174S1N

AC1Q2S95

Nat.L-2-Methylbutanol

3-Methyl iso-butanol

7337AF

NSC8431

2-Methyl-n-butanol

CTK0H4916

M0175

RP18502

CHEMBL451923

ACMC-209de6

NE10348

2-Methylbutan-1-ol

HSDB 5626

CH3CH2CH(CH3)CH2OH

CCRIS 8805

2-METHYL-1-BUTANOL

2-Methyl butanol-1

LTBB003178

OR299404

NSC-8431

DTXSID5027069

NSC 8431

OR035255

Jsp002256

DSSTox_CID_7069

Butanol, 2-methyl-

CHEBI:48945

(-)2-methylbutanol

DSSTox_GSID_27069

AN-23135

L-2-Methyl-1-butanol

LS-46573

DL-2-Methyl-1-butanol

D-2-METHYL-1-BUTANOL

ANW-42009

TRA0021730

AN-19734

SC-94933

SC-08990

2-Methyl-1-butanol, analytical standard

Methyl-2-butan-1-ol

DSSTox_RID_78299

LMFA05000104

2-Methyl-Butan-1-Ol

MFCD00004743

DB-003288

TR-004975

RTR-004975

AI3-24190

J-510045

AKOS009159118

(+)-2-methylbutanol

FT-0691797

FT-0612896

BRN 1718810

DL-2-METHYL-1-BUTANOL, PRACT

I14-16605

1-Butanol, 2-methyl-

WLN: Q1Y2 & 1

Tox21_303200

Tox21_201558

F0001-0469

137-32-6

2-Methyl-1-butanol, >=99%

3B1-001142

NCGC00259107-01

MCULE-6521026296

NCGC00249069-01

( inverted exclamation markA)-2-Methyl-1-butanol

NCGC00256976-01

CAS-137-32-6

EINECS 205-289-9

EINECS 252-163-4

34713-94-5

(1)-2-Methylbutan-1-ol

2-Methyl-1-butanol, >=99%, FG

MolPort-001-783-235

2-Methyl-1-butanol, natural, 99%, FG

(+/-)-2-Methyl-1-butanol

4-01-00-01666 (Beilstein Handbook Reference)

(+/-)-2-Methyl-1-butanol, >=98.0% (GC)

IUPAC name

2-methylbutan-1-ol

SMILES

CCC(C)CO

Inchi

InChI=1S/C5H12O/c1-3-5(2)4-6/h5-6H,3-4H2,1-2H3

Formula

CH₃CH₂CH(CH₃)CH₂OH

PubChem ID

8723

Molweight

88.15

LogP

1.17

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

Alcohols

mVOC Specific Details

Volatilization

2-Methyl-1-butanol has an experimentally measured Henry's Law constant of 1.41X10-5 atm-cu m/mole at 25 deg C(1). This value of Henry's Law constant indicates that volatilization from environmental waters is slow, but may be significant from shallow rivers(3). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep flowing 1 m/sec with a wind velocity of 3 m/sec) can be estimated to be about 61 hr(2,SRC). Volatilization half-life from an model environmental pond can be estimated to be about 28 days(3,SRC).
Literature: (1) Hine J, Mookerjee PK; J Org Chem 40: 292-8 (1975) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods NY: McGraw-Hill pp. 15-15 to 15-29 (1982) (3) US EPA; EXAMS II Computer Simulation (1987)

Soil Adsorption

Based upon a water solubility of 30,000 mg/l at 25 deg C(1), the Koc for 2-methyl-1-butanol can be estimated to be 15 from a regression-derived equation(2,SRC). Based upon a measured log Kow of 1.29(3), the Koc for 2-methyl-1-butanol can be estimated to be 120 from a regression-derived equation(2,SRC). These BCF values suggest that 2-methyl-1-butanol has high to very high soil mobility(4).
Literature: (1) Barton AFM; Alcohols With Water. International Union of Pure and Applied Chemistry. Solubility Data Series. Vol 15 (1984) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods NY: McGraw-Hill p. 4-9 (1982) (3) Valvani SC et al; J Pharm Sci 70: 502-7 (1981) (4) Swann RL et al; Res Rev 85: 23 (1983)

Vapor Pressure

Pressure	Reference
3.13 mm Hg at 25 deg C	Daubert TE; Danner RP; Physical and Thermodynamic Properties of Pure Chemicals: Data Compilation, NY: Hemisphere Pub Corp (1989)

MS-Links

Microorganisms emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Bacteria	Bacillus Amyloliquefaciens IN937a	n/a		Lee et al., 2012
Bacteria	Bacillus Subtilis GB03	n/a		Lee et al., 2012
Bacteria	Paenibacillus Polymyxa E681	n/a		Lee et al., 2012
Fungi	Tuber Aestivum	n/a	Ayme Truffe of Grignan, 26230 France	March et al., 2006
Fungi	Tuber Brumale	n/a	Ayme Truffe of Grignan, 26230 France	March et al., 2006
Fungi	Tuber Melanosporum	n/a	Ayme Truffe of Grignan, 26230 France	March et al., 2006
Fungi	Tuber Mesentericum	n/a	Ayme Truffe of Grignan, 26230 France	March et al., 2006
Fungi	Tuber Miesentericum	None	None	March et al., 2006
Fungi	Tuber Rufum	n/a	Ayme Truffe of Grignan, 26230 France	March et al., 2006
Fungi	Muscodor Albus CZ-620	n/a		Corcuff et al., 2011
Bacteria	Citrobacter Freundii		American Type Culture Collection	Robacker and Bartelt 1997
Bacteria	Clostridium Difficile		outbreak 2006 UK	Rees et al 2016
Bacteria	Enterobacter Cloacae SM 639	na	ubiquitary,intestinal	Schoeller et al., 1997
Bacteria	Escherichia Coli	n/a		Bunge et al., 2008
Bacteria	Escherichia Coli ATCC15547		American Type Culture Collection (ATCC), Rockville, MD or wild strains identified at the University of Kentucky Dept. of Animal Sciences Food Microbiology Laboratory	Elgaali et al. 2002
Bacteria	Klebsiella Pneumoniae		American Type Culture Collection	Robacker and Bartelt 1997
Bacteria	Mycobacterium Bovis	n/a		MCNerney et al., 2015
Bacteria	Paenibacillus Polymyxa Sb3-1		collection TU Graz	Rybakova et al. 2017
Bacteria	Salmonella Enterica	n/a		Bunge et al., 2008
Bacteria	Shigella Flexneri	n/a		Bunge et al., 2008
Bacteria	Staphylococcus Epidermidis		DSMZ	Verhulst et al. 2010
Bacteria	Streptomyces Albidoflavus AMI 246	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Albus Subsp. Pathocidicus IFO 13812	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Antibioticus CBS 659.68	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Antibioticus ETH 22014	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Aureofaciens ETH 13387	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Aureofaciens ETH 28832	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Coelicolor ATCC 21666	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Coelicolor DSM 40233	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Diastatochromogenes ETH 18822	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Diastatochromogenes IFO 13814	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Griseus ATCC 23345	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Griseus IFO 13849	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Hirsutus ATCC 19773	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Hirsutus ETH 1666	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Hygroscopicus ATCC 27438	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Hygroscopicus IFO 13255	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Murinus DSM 40091	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Murinus NRRL 8171	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Olivaceus ETH 6445	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Olivaceus ETH 7437	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Rishiriensis AMI 224	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Spp. AMI 240	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Thermoviolaceus CBS 111.62	n/a		Schoeller et al., 2002
Bacteria	Thermomonospora Fusca DSM 43792	na	soil	Wilkins, 1996
Fungi	Alternaria Alternata(Fr.)Keissler (DSMZ 62006) Coculture With Fusarium Oxysporum F. Aechmeae(Fr.)Schltdl. (DSMZ 62297)		DSMZ	Weikl et al. 2017
Fungi	Armillaria Mellea	n/a		Mueller et al., 2013
Fungi	Aspergillus Candidus		compost	Fischer et al. 2053
Fungi	Aspergillus Fumigatus		compost	Fischer et al. 2053
Fungi	Aspergillus Ornatus	n/a		Meruva et al., 2004
Fungi	Aspergillus Versicolor			Schleibinger et al.,2005
Fungi	Aspergillus Versicolor Tiraboschi	na	damp indoor environments, food products	Sunesson et al., 1995
Fungi	Aspergillus Vesicolor		compost	Fischer et al. 2053
Fungi	Aureobasidium Pullulans FN868849		apples	Davis et al. 2012
Fungi	Aureobasidium Pullulans FN868850	attracts wasps	isolated from apples (with lepidopteran orchard pests)	Davis et al., 2012
Fungi	Candida Shehatae		cacti, fruits, insects, natural habitats	Nout and Bartelt 1998
Fungi	Candida Tropicalis	n/a		Bunge et al., 2008
Fungi	Chaetomium Globosum			Schleibinger et al.,2005
Fungi	Emericella Nidulans		compost	Fischer et al. 2053
Fungi	Eurotium Amstelodami			Schleibinger et al.,2005
Fungi	Hypoxylon Antochroum Blaci	na	endophytic in Bursera lancifolia	Ulloa-BenÃtez et al., 2016
Fungi	Laccaria Bicolor	n/a		Mueller et al., 2013
Fungi	Paecilomyces Variotii		compost	Fischer et al. 2053
Fungi	Paecilomyces Variotii Bain	na	compost, soils, food products	Sunesson et al., 1995
Fungi	Paxillus Involutus MAJ	n/a		Mueller et al., 2013
Fungi	Paxillus Involutus NAU	n/a		Mueller et al., 2013
Fungi	Pencillium Chrysogenum	None	None	Meruva et al., 2004
Fungi	Penicillium Brevicompactum			Schleibinger et al.,2005
Fungi	Penicillium Chrysogenum	n/a		Meruva et al., 2004
Fungi	Penicillium Clavigerum		compost	Fischer et al. 2053
Fungi	Penicillium Commune Pitt	na	in dry-cured meat products, cheese	Sunesson et al., 1995
Fungi	Penicillium Glabrum		compost	Fischer et al. 2053
Fungi	Pholiota Squarrosa	n/a		Mueller et al., 2013
Fungi	Rhizoctonia Solani AG2-2 IIIB		collection of the Sugar Beet Research Institute, Bergen op Zoom, The Netherlands	Cordovez et al. 2017
Fungi	Rhizopus Stolonifer	n/a		Meruva et al., 2004
Fungi	Saccharomyces Cerevisiae		grape vine	Becher et al. 2012
Fungi	Saccharomyces Cerevisiae CR1	control citrus black spot disease	fermentation processes	Toffano et al. 2017
Fungi	Stropharia Rugosoannulata	n/a		Mueller et al., 2013
Fungi	Trichodema Pseudokoningii	n/a		Wheatley et al., 1997
Fungi	Trichodema Viride	n/a		Wheatley et al., 1997
Fungi	Trichoderma Viride			Hung et al., 2013
Fungi	Tuber Aestivum	n/a	Prof. Mattia Bentivenga (UniversitÃ di Perugia, Perugia, Italy) and in the fortywoodland of the Basilicata region	Mauriello et al., 2004
Fungi	Tuber Borchii	n/a	Prof. Mattia Bentivenga (UniversitÃ di Perugia, Perugia, Italy) and in the fortywoodland of the Basilicata region	Mauriello et al., 2004
Fungi	Tuber Brumale	n/a	Prof. Mattia Bentivenga (UniversitÃ di Perugia, Perugia, Italy) and in the fortywoodland of the Basilicata region	Mauriello et al., 2004
Fungi	Tuber Excavatum	n/a	Prof. Mattia Bentivenga (UniversitÃ di Perugia, Perugia, Italy) and in the fortywoodland of the Basilicata region	Mauriello et al., 2004
Fungi	Tuber Melanosporum	n/a	Prof. Mattia Bentivenga (UniversitÃ di Perugia, Perugia, Italy) and in the fortywoodland of the Basilicata region	Mauriello et al., 2004
Fungi	Verticillium Longisporum	n/a		Mueller et al., 2013
Fungi	Xylaria Sp.	na	Haematoxylon brasiletto, Morelos, Mexico	SÃ¡nchez-Ortiz et al., 2016
Fungi	Geotrichum Candidum		compost mixed with milky fermented product	Zirbes et al. 2015
Bacteria	Actinomycetes Spp.	Is weakly active against wood-decaying fungi.		Schulz and Dickschat, 2007
Bacteria	Lactobacillus Rhamnosus LSL 212	na	na	PogaÄiÄ‡ et al., 2016
Fungi	Tuber Aestivum	na	Tarsul (as normal forest); Daix (man made orchard)	Molinier et al., 2015

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Bacteria	Bacillus Amyloliquefaciens IN937a	Tryptic soy agar	SPME coupled with GC-MS
Bacteria	Bacillus Subtilis GB03	Tryptic soy agar	SPME coupled with GC-MS
Bacteria	Paenibacillus Polymyxa E681	Tryptic soy agar	SPME coupled with GC-MS
Fungi	Tuber Aestivum	n/a	Pressure balanced head-space sampling and GC/TOF-MS
Fungi	Tuber Brumale	n/a	Pressure balanced head-space sampling and GC/TOF-MS
Fungi	Tuber Melanosporum	n/a	Pressure balanced head-space sampling and GC/TOF-MS
Fungi	Tuber Mesentericum	n/a	Pressure balanced head-space sampling and GC/TOF-MS
Fungi	Tuber Miesentericum	None	Pressure balanced head-space sampling and GC/TOF-MS	No
Fungi	Tuber Rufum	n/a	Pressure balanced head-space sampling and GC/TOF-MS
Fungi	Muscodor Albus CZ-620	n/a	Headspace sampler/GC-MS
Bacteria	Citrobacter Freundii	tryptic soy broth	SPME, GC-MS	yes
Bacteria	Clostridium Difficile	brain heart infusion	GCxGC-TOF-MS	yes
Bacteria	Enterobacter Cloacae SM 639	AB medium + 1% citrate	GC-FID,GC/MS
Bacteria	Escherichia Coli	n/a	n/a
Bacteria	Escherichia Coli ATCC15547	TS broth	GC-MS Super Q	no
Bacteria	Klebsiella Pneumoniae	tryptic soy broth	SPME, GC-MS	yes
Bacteria	Mycobacterium Bovis	Loewenstein-Jensen media	Headspace analyze / SIFT-MS and TD-GC-MS.
Bacteria	Paenibacillus Polymyxa Sb3-1		GC-MS / SPME	no
Bacteria	Salmonella Enterica	n/a	n/a
Bacteria	Shigella Flexneri	n/a	n/a
Bacteria	Staphylococcus Epidermidis	CLSA, charcoal, GC-MS		no
Bacteria	Streptomyces Albidoflavus AMI 246	n/a	n/a
Bacteria	Streptomyces Albus Subsp. Pathocidicus IFO 13812	n/a	n/a
Bacteria	Streptomyces Antibioticus CBS 659.68	n/a	n/a
Bacteria	Streptomyces Antibioticus ETH 22014	n/a	n/a
Bacteria	Streptomyces Aureofaciens ETH 13387	n/a	n/a
Bacteria	Streptomyces Aureofaciens ETH 28832	n/a	n/a
Bacteria	Streptomyces Coelicolor ATCC 21666	n/a	n/a
Bacteria	Streptomyces Coelicolor DSM 40233	n/a	n/a
Bacteria	Streptomyces Diastatochromogenes ETH 18822	n/a	n/a
Bacteria	Streptomyces Diastatochromogenes IFO 13814	n/a	n/a
Bacteria	Streptomyces Griseus ATCC 23345	n/a	n/a
Bacteria	Streptomyces Griseus IFO 13849	n/a	n/a
Bacteria	Streptomyces Hirsutus ATCC 19773	n/a	n/a
Bacteria	Streptomyces Hirsutus ETH 1666	n/a	n/a
Bacteria	Streptomyces Hygroscopicus ATCC 27438	n/a	n/a
Bacteria	Streptomyces Hygroscopicus IFO 13255	n/a	n/a
Bacteria	Streptomyces Murinus DSM 40091	n/a	n/a
Bacteria	Streptomyces Murinus NRRL 8171	n/a	n/a
Bacteria	Streptomyces Olivaceus ETH 6445	n/a	n/a
Bacteria	Streptomyces Olivaceus ETH 7437	n/a	n/a
Bacteria	Streptomyces Rishiriensis AMI 224	n/a	n/a
Bacteria	Streptomyces Spp. AMI 240	n/a	n/a
Bacteria	Streptomyces Thermoviolaceus CBS 111.62	n/a	n/a
Bacteria	Thermomonospora Fusca DSM 43792	Nutrient agar CM3	GC/MS
Fungi	Alternaria Alternata(Fr.)Keissler (DSMZ 62006) Coculture With Fusarium Oxysporum F. Aechmeae(Fr.)Schltdl. (DSMZ 62297)	malt extract agar	SBSE-GC-MS	no
Fungi	Armillaria Mellea	Melin-Nor krans synthetic medium (modified)	Headspace trapping ( using stir bar sorptive extraction )/ GC-MS
Fungi	Aspergillus Candidus	yest extract sucrose	Tenax/GC-MS	no
Fungi	Aspergillus Fumigatus	yest extract sucrose	Tenax/GC-MS	no
Fungi	Aspergillus Ornatus	Potato dextrose agar and tobacco products.	Closedloop stripping analysis and GC/TOF-MS.
Fungi	Aspergillus Versicolor	ingrain wallpaper	GC/MS-SIM	Yes
Fungi	Aspergillus Versicolor Tiraboschi	DG18	GC/MS
Fungi	Aspergillus Vesicolor	yest extract sucrose	Tenax/GC-MS	no
Fungi	Aureobasidium Pullulans FN868849	Sabouraud dextrose agar	GC-MS	yes
Fungi	Aureobasidium Pullulans FN868850	Sabouraud Dextrose Agar	GC/FID	Yes
Fungi	Candida Shehatae	yeast malt agar	SPME, GC-MS	yes
Fungi	Candida Tropicalis	n/a	n/a
Fungi	Chaetomium Globosum	ingrain wallpaper	GC/MS-SIM	Yes
Fungi	Emericella Nidulans	yest extract sucrose	Tenax/GC-MS	no
Fungi	Eurotium Amstelodami	ingrain wallpaper	GC/MS-SIM	Yes
Fungi	Hypoxylon Antochroum Blaci	PDA/WA + 500 mg l^-1 Chloramphenicol	SPME-GC/MS	Yes
Fungi	Laccaria Bicolor	Melin-Nor krans synthetic medium (modified)	Headspace trapping ( using stir bar sorptive extraction )/ GC-MS
Fungi	Paecilomyces Variotii	yest extract sucrose	Tenax/GC-MS	no
Fungi	Paecilomyces Variotii Bain	DG18,MEA	GC/MS
Fungi	Paxillus Involutus MAJ	Melin-Nor krans synthetic medium (modified)	Headspace trapping ( using stir bar sorptive extraction )/ GC-MS
Fungi	Paxillus Involutus NAU	Melin-Nor krans synthetic medium (modified)	Headspace trapping ( using stir bar sorptive extraction )/ GC-MS
Fungi	Pencillium Chrysogenum	Potato dextrose agar and tobacco products.	Closedloop stripping analysis and GC/TOF-MS.	Yes
Fungi	Penicillium Brevicompactum	ingrain wallpaper	GC/MS-SIM	Yes
Fungi	Penicillium Chrysogenum	Potato dextrose agar and tobacco products.	Closedloop stripping analysis and GC/TOF-MS.
Fungi	Penicillium Clavigerum	yest extract sucrose	Tenax/GC-MS	no
Fungi	Penicillium Commune Pitt	DG18,MEA	GC/MS
Fungi	Penicillium Glabrum	yest extract sucrose	Tenax/GC-MS	no
Fungi	Pholiota Squarrosa	Melin-Nor krans synthetic medium (modified)	Headspace trapping ( using stir bar sorptive extraction )/ GC-MS
Fungi	Rhizoctonia Solani AG2-2 IIIB	Potato Dextrose Agar6	Tenax TA / TDGC-MS	yes
Fungi	Rhizopus Stolonifer	Potato dextrose agar and tobacco products.	Closedloop stripping analysis and GC/TOF-MS.
Fungi	Saccharomyces Cerevisiae	synthetic minimal medium	GC-MS, EI	yes
Fungi	Saccharomyces Cerevisiae CR1	YEPDA	GC/MS	no
Fungi	Stropharia Rugosoannulata	Melin-Nor krans synthetic medium (modified)	Headspace trapping ( using stir bar sorptive extraction )/ GC-MS
Fungi	Trichodema Pseudokoningii	Malt extract/Low medium	GC/MS
Fungi	Trichodema Viride	Malt extract/Low medium	GC/MS
Fungi	Trichoderma Viride	Malt extract agar	Headspace volatiles collected with colomn/TD-GC-MS	Yes
Fungi	Tuber Aestivum	n/a	microextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)
Fungi	Tuber Borchii	n/a	microextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)
Fungi	Tuber Brumale	n/a	microextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)
Fungi	Tuber Excavatum	n/a	microextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)
Fungi	Tuber Melanosporum	n/a	microextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)
Fungi	Verticillium Longisporum	Melin-Nor krans synthetic medium (modified)	Headspace trapping ( using stir bar sorptive extraction )/ GC-MS
Fungi	Xylaria Sp.	PDA medium	SPME-GC/MS	Yes
Fungi	Geotrichum Candidum	medium 863	SPME-GC-MS	yes
Bacteria	Actinomycetes Spp.	n/a	n/a
Bacteria	Lactobacillus Rhamnosus LSL 212	curd-based broth medium	GC/MS	Yes
Fungi	Tuber Aestivum	na	SPME-GC/MS	No

Ethyl Acetate

Mass-Spectra

Compound Details

Synonymous names

Essigsaeureethylester

Acetoxyethane

Aethylacetat

Ethylacetaat

Ethylacetate

Essigester

Ethylazetat

Acetidin

Ethylester kyseliny octove

XEKOWRVHYACXOJ-UHFFFAOYSA-N

acet-ethylester

Acetate d'ethyle

Ethyl ethanoate

Vinegar naphtha

acetic acid ethylester

acetic-acid-ethylester

AcOEt

ehtyl acetate

ETHYL ACETATE

ethyl-acetate

EtOAc

Acetic ester

Acetic ether

Acetyl ester

EEE

ethyl acetat

Ethyl Acetate Natural

Ethyl acetate, Spectrophotometric Grade

Ethyl ester

Octan etylu

1-acetoxyethane

acetic ethyl ester

ethyl acetate ester

Ethyl acetic ester

Acetato de etilo

acetic acid ethyl

Ethyl acetate, analytical standard

Ethyl acetate, Environmental Grade

Nat.Ethyl Acetate

acet-eth-ester

Acetic acid ethyl ester

ACETIC ACID,ETHYL ESTER

ACMC-1BTXP

Ethyl acetate HPLC grade

Aethylacetat [German]

CH3COOC2H5

Ethyl Acetate Reagent Grade ACS

AC1L1RU4

AC1Q35EC

Essigester [German]

Ethyl Acetate, HPLC

Ethylacetaat [Dutch]

ETHYL ACETATE, ACS

Ethyl acetate, ACS reagent

Ethyl ester of acetic acid

Ethyle(acetate d')

Etile(acetato di)

Acetate d'ethyle [French]

Acetic acid, ethyl ester

Ethyl acetate, ACS grade

Ethyl acetate, HPLC Grade

Ethylester kyseliny octove [Czech]

HSDB 83

KSC492C3D

UNII-LM8ZO3J16V component XEKOWRVHYACXOJ-UHFFFAOYSA-N

CHEMBL14152

Ethyl acetate (natural)

Ethyl acetate, for HPLC

UN1173

A0030

c0036

CTK3J2131

E1504

Ethyl acetate GC, for residue analysis

Octan etylu [Polish]

Q0040

Q0044

Ethyl acetate (NF)

Ethyl acetate [NF]

Ethyle (acetate d')

Etile (acetato di)

LS-831

NSC70930

RL01740

76845O8NMZ

Acetato de etilo [Spanish]

C00849

CCRIS 6036

D02319

LTBB002232

RCRA waste number U112

WLN: 2OV1

ZINC895412

DTXSID1022001

OR000208

OR219292

OR253316

OR253317

STL282717

UN 1173

ZB015033

300085X

A807811

CHEBI:27750

DSSTox_CID_2001

Ethyl acetate, United States Pharmacopeia (USP) Reference Standard

UNII-76845O8NMZ

AN-23212

ANW-42221

CH3-CO-O-CH3

DSSTox_GSID_22001

Ethyl Acetate, pharmaceutical secondary standard; traceable to USP, PhEur

KB-51510

NSC 70930

NSC-70930

SC-22781

BDBM50128823

Caswell No. 429

DSSTox_RID_76453

MFCD00009171

ZINC00895412

AI3-00404

Ethyl acetate, >=99.5%

Ethyl acetate, tested according to Ph.Eur.

RTR-005372

TR-005372

AKOS000121947

EPA Pesticide Chemical Code 044003

Epitope ID:116868

Ethyl acetate, 99.9%

Ethyl acetate, AR, >=99%

Ethyl acetate, LR, >=99%

I14-2577

J-007556

J-521240

RCRA waste no. U112

FEMA No. 2414

FT-0621744

FT-0693343

Ethyl acetate, >82% in a non hazardous diluent

Ethyle (acetate d') [French]

Etile (acetato di) [Italian]

Ethyl acetate, anhydrous, 99.8%

ETHYL, 1-(ACETYLOXY)-

ETHYL, 2-(ACETYLOXY)-

Tox21_111166

Tox21_202512

141-78-6

F0001-0489

Ethyl acetate, >=99%, FCC, FG

Ethyl acetate, ACS reagent, >=99.5%

MCULE-6628539781

NCGC00091766-01

NCGC00260061-01

CAS-141-78-6

EINECS 205-500-4

Ethyl acetate, capillary GC grade, >=99.5%

Ethyl acetate, for HPLC, >=99.5%

Ethyl acetate, for HPLC, >=99.7%

Ethyl acetate, for HPLC, >=99.8%

Ethyl acetate, HPLC grade, 99.8%

Ethyl acetate, JIS special grade, >=99.5%

Ethyl acetate, PRA grade, >=99.5%

Ethyl acetate, SAJ first grade, >=99.0%

936-EP0930075A1

936-EP1441224A2

936-EP2269610A2

936-EP2269651A2

936-EP2269975A2

936-EP2269977A2

936-EP2269986A1

936-EP2269987A1

936-EP2269988A2

936-EP2269989A1

936-EP2269990A1

936-EP2269992A1

936-EP2269993A1

936-EP2269994A1

936-EP2269997A2

936-EP2270000A1

936-EP2270003A1

936-EP2270004A1

936-EP2270006A1

936-EP2270008A1

936-EP2270009A1

936-EP2270011A1

936-EP2270014A1

936-EP2270015A1

936-EP2270113A1

936-EP2270114A1

936-EP2272509A1

936-EP2272516A2

936-EP2272517A1

936-EP2272537A2

936-EP2272813A2

936-EP2272817A1

936-EP2272822A1

936-EP2272825A2

936-EP2272827A1

936-EP2272829A2

936-EP2272830A1

936-EP2272832A1

936-EP2272834A1

936-EP2272835A1

936-EP2272839A1

936-EP2272840A1

936-EP2272841A1

936-EP2272842A1

936-EP2272843A1

936-EP2272844A1

936-EP2272847A1

936-EP2272848A1

936-EP2272849A1

936-EP2272935A1

936-EP2272972A1

936-EP2272973A1

936-EP2274983A1

936-EP2275102A1

936-EP2275105A1

936-EP2275395A2

936-EP2275398A1

936-EP2275401A1

936-EP2275403A1

936-EP2275404A1

936-EP2275407A1

936-EP2275410A1

936-EP2275411A2

936-EP2275412A1

936-EP2275413A1

936-EP2275414A1

936-EP2275415A2

936-EP2275419A2

936-EP2275420A1

936-EP2275421A1

936-EP2275423A1

936-EP2275469A1

936-EP2277565A2

936-EP2277566A2

936-EP2277567A1

936-EP2277568A2

936-EP2277569A2

936-EP2277570A2

936-EP2277858A1

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936-EP2277865A1

936-EP2277866A1

936-EP2277867A2

936-EP2277872A1

936-EP2277874A1

936-EP2277875A2

936-EP2277876A1

936-EP2277878A1

936-EP2277879A1

936-EP2277880A1

936-EP2277881A1

936-EP2277898A2

936-EP2279741A2

936-EP2279750A1

936-EP2279751A2

936-EP2280000A1

936-EP2280001A1

936-EP2280003A2

936-EP2280005A1

936-EP2280006A1

936-EP2280007A1

936-EP2280008A2

936-EP2280009A1

936-EP2280010A2

936-EP2280012A2

936-EP2280014A2

936-EP2281563A1

936-EP2281810A1

936-EP2281812A1

936-EP2281813A1

936-EP2281815A1

936-EP2281817A1

936-EP2281818A1

936-EP2281819A1

936-EP2281820A2

936-EP2281821A1

936-EP2281823A2

936-EP2281824A1

936-EP2281899A2

936-EP2283811A1

936-EP2283898A1

936-EP2284148A1

936-EP2284149A1

936-EP2284154A1

936-EP2284157A1

936-EP2284158A1

936-EP2284159A1

936-EP2284160A1

936-EP2284161A1

936-EP2284165A1

936-EP2284167A2

936-EP2284168A2

936-EP2284169A1

936-EP2284170A1

936-EP2284171A1

936-EP2284172A1

936-EP2284174A1

936-EP2284178A2

936-EP2284179A2

936-EP2286811A1

936-EP2286915A2

936-EP2287141A1

936-EP2287147A2

936-EP2287152A2

936-EP2287153A1

936-EP2287154A1

936-EP2287155A1

936-EP2287156A1

936-EP2287160A1

936-EP2287161A1

936-EP2287162A1

936-EP2287165A2

936-EP2287166A2

936-EP2287167A1

936-EP2287168A2

936-EP2287940A1

936-EP2289509A2

936-EP2289510A1

936-EP2289868A1

936-EP2289871A1

936-EP2289876A1

936-EP2289877A1

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Ethyl acetate, biotech. grade, >=99.8%

Ethyl acetate, ReagentPlus(R), >=99.5%

Ethyl acetate, ReagentPlus(R), >=99.8%

Ethyl acetate [UN1173] [Flammable liquid]

6822-EP1441224A2

Ethyl acetate, natural, >=99%, FCC, FG

MolPort-000-871-940

37556-EP2305808A1

37556-EP2311802A1

37556-EP2311803A1

Ethyl acetate, for residue analysis, suitable for 5000 per JIS

Ethyl acetate, Laboratory Reagent, >=99.0% (GC)

Ethyl acetate [UN1173] [Flammable liquid]

Ethyl acetate, >10 - 82% in a non hazardous diluent

Ethyl acetate, for HPLC, >=99.8% (GC)

Ethyl acetate, ACS, 99.5% min. 500ml

Ethyl acetate, HPLC, UV-IR min. 99.9 %, isocratic grade

Ethyl acetate, suitable for 300 per JIS, >=99.5%, for residue analysis

Ethyl acetate, suitable for 1000 per JIS, >=99.5%, for residue analysis

Ethyl acetate, HPLC Plus, for HPLC, GC, and residue analysis, 99.9%

Ethyl acetate, puriss. p.a., ACS reagent, >=99.5% (GC)

Ethyl acetate, puriss. p.a., free of higher boiling impurities, >=99.9% (GC)

ACETIC-2,2,2-D3 ACID,ETHYL-1,1,2,2,2-D5 ESTER

InChI=1/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H

Ethyl acetate, puriss., meets analytical specification of Ph. Eur., BP, NF, >=99.5% (GC)

Ethyl acetate, puriss. p.a., ACS reagent, reag. ISO, reag. Ph. Eur., >=99.5% (GC)

IUPAC name

ethyl acetate

SMILES

CCOC(=O)C

Inchi

InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3

Formula

CH₃COOC₂H₅

PubChem ID

8857

Molweight

88.106

LogP

0.28

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

Esters

mVOC Specific Details

Volatilization

The Henry's Law constant for ethyl acetate is 1.34X10-4 atm-cu m/mole(1). This Henry's Law constant indicates that ethyl acetate is expected to volatilize from water surfaces(2). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec)(3) is estimated as 9 hours(SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(3) is estimated as 6 days(SRC). Ethyl acetate's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). Ethyl acetate is expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 93.2 mm Hg(3).
Literature: (1) Meylan WM, Howard PH; Environ Toxicol Chem 10: 1283-93 (1991) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (3) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.1. Nov, 2012. Available from, as of Jun 25, 2014: http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm (4) Daubert TE, Danner RP; Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, DC: Taylor and Francis, (1991)

Soil Adsorption

The Koc of ethyl acetate is estimated as 18(SRC), using a log Kow of 0.73(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that ethyl acetate is expected to have very high mobility in soil(SRC). A log Ki (snow surface/air (cu m/sq m)) of -3.69 has been reported for sorption to snow(4).
Literature: (1) Hansch C et al; Exploring QSAR. Hydrophobic, Electronic, and Steric Constants. ACS Prof Ref Book. Heller SR (consult ed) Washington,DC: Amer Chem Soc p. 9 (1995) (2) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.1. Nov, 2012. Available from, as of Jun 25, 2014: http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm (3) Swann RL et al; Res Rev 85: 23 (1983) (4) Roth CM et al; Environ Sci Technol 38: 4078-4084 (2004)

Vapor Pressure

Pressure	Reference
93.2 mm Hg at 25 deg C	Daubert TE, Danner RP; Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, DC: Taylor and Francis, (1991)

MS-Links

1D-NMR-Links

1D NMR Spectrum 2243 - JEOL 90 MHz 1H NMR

1D NMR Spectrum 2938 - NEVA 15.09 MHz 13C NMR

Microorganisms emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Fungi	Tuber Simonea	None	None	March et al., 2006
Fungi	Tuber Aestivum	n/a	Ayme Truffe of Grignan, 26230 France	March et al., 2006
Fungi	Tuber Brumale	n/a	Ayme Truffe of Grignan, 26230 France	March et al., 2006
Fungi	Tuber Melanosporum	n/a	Ayme Truffe of Grignan, 26230 France	March et al., 2006
Fungi	Tuber Mesentericum	n/a	Ayme Truffe of Grignan, 26230 France	March et al., 2006
Fungi	Tuber Miesentericum	None	None	March et al., 2006
Fungi	Tuber Rufum	n/a	Ayme Truffe of Grignan, 26230 France	March et al., 2006
Fungi	Tuber Simonea	n/a	Ayme Truffe of Grignan, 26230 France	March et al., 2006
Fungi	Trichodema Pseudokoningii	n/a		Wheatley et al., 1997
Fungi	Trichodema Viride	n/a		Wheatley et al., 1997
Bacteria	Bacillus Amyloliquefaciens IN937a	n/a		Lee et al., 2012
Bacteria	Bacillus Subtilis GB03	n/a		Lee et al., 2012
Bacteria	Escherichia Coli	n/a		Hettinga et al., 2008
Bacteria	Leuconostoc Citreum CIRM1455	na	goat cheese whey	PogaÄiÄ‡ et al., 2016
Bacteria	Paenibacillus Polymyxa E681	n/a		Lee et al., 2012
Bacteria	Serratia Spp. B2675	n/a		Bruce et al., 2004
Bacteria	Serratia Spp. B675	n/a		Bruce et al., 2004
Bacteria	Staphylococcus Aureus	n/a		Hettinga et al., 2008
Bacteria	Streptococcus Dysgalactiae	n/a		Hettinga et al., 2008
Bacteria	Streptococcus Uberis	n/a		Hettinga et al., 2008
Fungi	Ascocoryne Sarcoides NRRL 50072	n/a		Mallette et al. 2012
Fungi	Candida Shehatae		cacti, fruits, insects, natural habitats	Nout and Bartelt 1998
Fungi	Ceratocystis Fagacearum			Lin and Phelan 1994
Fungi	Ceratocystis Sp.	Enhanced growth and sporulation of Pestalotia rhododendri at low concentrations. Inhibited growth and sporulation of Aspergillus niger.		Stotzky and Schenk, 1976
Fungi	Dipodascus Aggregatus	Enhanced growth and sporulation of Pestalotia rhododendri at low concentrations. Inhibited growth and sporulation of Aspergillus niger.		Stotzky and Schenk, 1976
Fungi	Geotrichum Candidum		compost mixed with milky fermented product	Zirbes et al. 2011
Fungi	Muscodor Crispans	n/a		Mitchell et al., 2010
Fungi	Neurospora Sitophila ATCC 46892	n/a		Pastore et al.,1994
Fungi	Neurospora Sp.	n/a		Pastore et al., 1994
Fungi	Penicillium Commune Pitt	na	in dry-cured meat products, cheese	Sunesson et al., 1995
Fungi	Penicillium Digitatum			SchnÃ¼rer et al. 1999
Fungi	Pichia Anomala			SchnÃ¼rer et al. 1999
Fungi	Saccharomyces Cerevisiae	Enhanced growth and sporulation of Pestalotia rhododendri at low concentrations. Inhibited growth and sporulation of Aspergillus niger.		Stotzky and Schenk, 1976
Fungi	Saccharomyces Cerevisiae CR1	control citrus black spot disease	fermentation processes	Toffano et al. 2017
Fungi	Saccharomyces Cerevisiae Y1001	n/a		Bruce et al., 2004
Fungi	Thielaviopsis Basicola	Enhanced growth and sporulation of Pestalotia rhododendri at low concentrations. Inhibited growth and sporulation of Aspergillus niger.		Stotzky and Schenk, 1976
Fungi	Tuber Aestivum	n/a	Fortywoodland of the Basilicata region	Mauriello et al., 2004
Fungi	Tuber Brumale	n/a	Fortywoodland of the Basilicata region	Mauriello et al., 2004
Fungi	Tuber Melanosporum	n/a	Agricultural Centre of Castilla and LeÃƒÂ³n Community (Monasterio de la Santa Espina, Valladolid, Spain) and Navaleno (Soria, Spain).	Diaz et al., 2003
Fungi	Tuber Borchii		T. melanosporum, T. borchii were collected from northern Italy (Piedmont) and T. indicum from Yunnan and Sichuan Provinces (China).	Splivallo et al., 2007b

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Fungi	Tuber Simonea	None	Pressure balanced head-space sampling and GC/TOF-MS	No
Fungi	Tuber Aestivum	n/a	Pressure balanced head-space sampling and GC/TOF-MS
Fungi	Tuber Brumale	n/a	Pressure balanced head-space sampling and GC/TOF-MS
Fungi	Tuber Melanosporum	n/a	Pressure balanced head-space sampling and GC/TOF-MS
Fungi	Tuber Mesentericum	n/a	Pressure balanced head-space sampling and GC/TOF-MS
Fungi	Tuber Miesentericum	None	Pressure balanced head-space sampling and GC/TOF-MS	No
Fungi	Tuber Rufum	n/a	Pressure balanced head-space sampling and GC/TOF-MS
Fungi	Tuber Simonea	n/a	Pressure balanced head-space sampling and GC/TOF-MS
Fungi	Trichodema Pseudokoningii	Low medium	GC/MS
Fungi	Trichodema Viride	Low medium	GC/MS
Bacteria	Bacillus Amyloliquefaciens IN937a	Tryptic soy agar	SPME coupled with GC-MS
Bacteria	Bacillus Subtilis GB03	Tryptic soy agar	SPME coupled with GC-MS
Bacteria	Escherichia Coli	Milk	HS-SPME/GC-MS
Bacteria	Leuconostoc Citreum CIRM1455	curd-based broth medium	GC/MS	Yes
Bacteria	Paenibacillus Polymyxa E681	Tryptic soy agar	SPME coupled with GC-MS
Bacteria	Serratia Spp. B2675	n/a	n/a
Bacteria	Serratia Spp. B675	n/a	n/a
Bacteria	Staphylococcus Aureus	Milk	HS-SPME/GC-MS
Bacteria	Streptococcus Dysgalactiae	Milk	HS-SPME/GC-MS
Bacteria	Streptococcus Uberis	Milk	HS-SPME/GC-MS
Fungi	Ascocoryne Sarcoides NRRL 50072	Minimal medium	PTR-MS and SPME GC-MS
Fungi	Candida Shehatae	yeast malt agar	SPME, GC-MS	yes
Fungi	Ceratocystis Fagacearum			no
Fungi	Ceratocystis Sp.	n/a	n/a
Fungi	Dipodascus Aggregatus	n/a	n/a
Fungi	Geotrichum Candidum	medium 863	SPME-GC-MS	yes
Fungi	Muscodor Crispans	potato dextrose agar	SPME-GC-MS
Fungi	Neurospora Sitophila ATCC 46892	Malt extract	Headspace/gas chromatography
Fungi	Neurospora Sp.	potato dextrose agar	dynamic headspace/gas chromatography
Fungi	Penicillium Commune Pitt	MEA	GC/MS
Fungi	Penicillium Digitatum	malt extract agar with 0.5-1.0% acetic acid	TenaxGC,Chromosorb,HS-SPME, GC-MS	no
Fungi	Pichia Anomala	malt extract agar with 0.5-1.0% acetic acid	TenaxGC,Chromosorb,HS-SPME, GC-MS	no
Fungi	Saccharomyces Cerevisiae	n/a	n/a
Fungi	Saccharomyces Cerevisiae CR1	YEPDA	GC/MS	no
Fungi	Saccharomyces Cerevisiae Y1001	n/a	n/a
Fungi	Thielaviopsis Basicola	n/a	n/a
Fungi	Tuber Aestivum	n/a	microextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)
Fungi	Tuber Brumale	n/a	microextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)
Fungi	Tuber Melanosporum	n/a	Headspace solid-phase microextraction (HS-SPME) combined with GC-MS
Fungi	Tuber Borchii			Yes

3-methylbutanoic Acid

Mass-Spectra

Compound Details

Synonymous names

Isovaleriansaeure

Isovalericacid

Isovalerianic

Isobutylformic acid

Isopropylacetic acid

isovalerate

Kyselina isovalerova

METHYLBUTANOIC ACID

GWYFCOCPABKNJV-UHFFFAOYSA-N

Isopentanoic acid

Isovalerianic acid

3-Methylbuttersaeure

b-Methylbutyrate

ISOVALERIC ACID

beta-Methylbutyric acid

Delphinic acid

NATURAL ISOVALERIC ACID

3-Methylbutyrate

b-Methylbutyric acid

Isobutyl formic acid

IVA

methyl butanoic acid

3-Methylbutyric

Isovaleric acid, analytical standard

3-Methylbutanoic acid

3-Methylbutyric acid|

iso-valeric acid

3-Methylbutyric acid

ACMC-1BMPI

Isopropyl Acetic Acid, natural

AC1L1V6N

iso-C4H9COOH

Kyselina isovalerova [Czech]

Methylbutanoic acid (Related)

3-methyl-butanoic acid

3,4-Diisovaleryl adrenaline

.beta.-Methylbutyric acid

3-methyl butyric acid

3-methyl-butyric acid

3-Methylbutyric acid: isopropyl-Acetate

AC1Q1P73

Isovaleric acid (natural)

KSC489M7P

S153

Acetic acid, isopropyl-

SCHEMBL43436

3-Methylbutyric acid: isopropyl-Acetic acid

CTK3I9677

HMDB00718

HSDB 629

3-methyl-n-butyric acid

CHEMBL568737

DB03750

Isovaleric acid, 99%

NSC62783

RP18769

STR08356

1BR7X184L5

bmse000373

C08262

ZINC388188

AK116943

BBL027399

BC677309

DTXSID5029182

LS-2386

OR025022

OR111348

OR376668

OR376669

STL146358

WLN: QV1Y1&1

CHEBI:28484

DSSTox_CID_9182

UNII-1BR7X184L5

AJ-20479

AN-21437

ANW-30978

Butanoic acid, 3-methyl-

DSSTox_GSID_29182

Isovaleric acid sodium salt (Salt/Mix)

KB-52997

NSC 62783

NSC-62783

SC-27287

TRA0072843

BB_NC-2309

Butyric acid, 3-methyl-

DSSTox_RID_78698

LMFA01020181

MFCD00002726

AI3-24132

FEMA Number: 3102

RTR-018005

ST24028594

TR-018005

AKOS000119861

J-522594

BRN 1098522

FEMA No. 3102

FT-0627533

I14-10601

Z955123492

Isovaleric acid, natural, >=98%, FG

Tox21_201604

503-74-2

F2191-0067

NA 1760 (Related)

Isovaleric acid, >=99%, FCC, FG

MCULE-5805071360

NCGC00249082-01

NCGC00259153-01

CAS-503-74-2

EINECS 207-975-3

35915-22-1

7050-EP2286915A2

7050-EP2287153A1

7050-EP2289892A1

7050-EP2292590A2

7050-EP2295417A1

7050-EP2301934A1

7050-EP2305656A1

7050-EP2305675A1

7050-EP2308509A1

7050-EP2308828A2

7050-EP2308848A1

7050-EP2308872A1

7050-EP2314585A1

7050-EP2316829A1

7050-EP2374791A1

MolPort-000-871-620

31567-EP2275401A1

31567-EP2277861A1

31567-EP2298763A1

31567-EP2308858A1

31567-EP2311816A1

31567-EP2311817A1

31567-EP2374790A1

66994-EP2298772A1

66994-EP2308839A1

Butanoic acid, 3-methyl-, (R)-

4-02-00-00895 (Beilstein Handbook Reference)

InChI=1/C5H10O2/c1-4(2)3-5(6)7/h4H,3H2,1-2H3,(H,6,7

IUPAC name

3-methylbutanoic acid

SMILES

CC(C)CC(=O)O

Inchi

InChI=1S/C5H10O2/c1-4(2)3-5(6)7/h4H,3H2,1-2H3,(H,6,7)

Formula

C₅H₁₀O₂

PubChem ID

10430

Molweight

102.133

LogP

1.21

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

Acids carboxylic acids esters

mVOC Specific Details

Boiling Point

Degree	Reference
176.5 °C	PhysProp
176.5 DEG C @ 760 MM HG	Lide, D.R. (ed.). CRC Handbook of Chemistry and Physics. 76th ed. Boca Raton, FL: CRC Press Inc., 1995-1996., p. 3-98

Volatilization

The Henry's Law constant for isovaleric acid was measured as 8.33X10-7 atm-cu m/mole(1). This value indicates that isovaleric acid will volatilize slowly from water surfaces(2,SRC). Based on this Henry's Law constant, the estimated volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec) is estimated as approximately 45 days(2,SRC). The estimated volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec) is estimated as approximately 330 days(2,SRC). In addition, a pKa of 4.78 for isovaleric acid(3) indicates that isovaleric acid will not significantly volatilize from water as it will exist predominately in the ionic form under environmental pHs(SRC). Isovaleric acid's Henry's Law constant(1) indicates that volatilization from moist soil surfaces may occur(SRC). Isovaleric acid is not expected to volatilize from dry soil surfaces(SRC) based on a measured vapor pressure of 0.44 mm Hg(4).
Literature: (1) Khan I, Brimblecombe P; J Aerosol Sci 23: S897-S900 (1992) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington,DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (3) Leung HW, Paustenbach DJ; Am J Ind Med 18: 714-23 (1990) (4) Yaws CL; Handbook of Vapor Pressure, Vol 2 C5 to C7 Compounds, Houston,TX: Gulf Publ Co. p. 387 (1994)

Soil Adsorption

The Koc of isovaleric acid is estimated as approximately 100(SRC), using a measured log Kow of 1.16(1) and a regression-derived equation(2,SRC). According to a recommended classification scheme(3), this estimated Koc value suggests that isovaleric acid is expected to have high mobility in soil(SRC).
Literature: (1) Hansch C et al; Exploring QSAR. Hydrophobic, Electronic, and Steric Constants. ACS Prof Ref Book. Heller SR (consult ed) Washington, DC: Amer Chem Soc p. 14 (1995) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington DC: Amer Chem Soc pp. 4-9 (1990) (3) Swann RL et al; Res Rev 85: 23 (1983)

Vapor Pressure

Pressure	Reference
0.44 mm Hg at 25 deg C	Yaws CL; Handbook of Vapor Pressure, Vol 2 C5 to C7 Compounds, Houston, TX: Gulf Publishing Co. p. 387 (1994)

MS-Links

MS-MS Spectrum 19655

MS-MS Spectrum 1005 - Quattro_QQQ 10V Positive delivery=Flow_Injection analyzer=Triple_Quad

MS-MS Spectrum 19657

MS-MS Spectrum 12985

MS-MS Spectrum 4517 - EI-B (HITACHI M-80B) Positive

MS-MS Spectrum 19656

MS-MS Spectrum 12984

MS-MS Spectrum 4518 - LC-ESI-QQ (API3000, Applied Biosystems) 10V Negative

MS-MS Spectrum 4519 - LC-ESI-QQ (API3000, Applied Biosystems) 20V Negative

MS-MS Spectrum 4520 - LC-ESI-QQ (API3000, Applied Biosystems) 30V Negative

MS-MS Spectrum 4516 - EI-B (HITACHI RMU-7M) Positive

MS-MS Spectrum 12983

MS-MS Spectrum 1006 - Quattro_QQQ 25V Positive delivery=Flow_Injection analyzer=Triple_Quad

MS-MS Spectrum 1007 - Quattro_QQQ 40V Positive delivery=Flow_Injection analyzer=Triple_Quad

1D-NMR-Links

1D NMR Spectrum 1260 - Bruker 400 MHz 13C NMR

1D NMR Spectrum 1497 - Varian 500 MHz 1H NMR

Microorganisms emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Bacteria	Klebsiella Pneumoniae	n/a		Julak et al., 2003
Bacteria	Staphylococcus Aureus	n/a		Julak et al., 2003
Bacteria	Staphylococcus Aureus		milk of cows	Hettinga et al 2010
Bacteria	Escherichia Coli O157:H7		China Center of Industrial culture Collection, China General Microbiological Culture Collection Center	Chen et Al. 2016
Bacteria	Serratia Spp. B2675	n/a		Bruce et al., 2004
Bacteria	Serratia Spp. B675	n/a		Bruce et al., 2004
Bacteria	Staphylococcus Aureus ATCC 6538		China Center of Industrial culture Collection, China General Microbiological Culture Collection Center	Chen et Al. 2016
Fungi	Saccharomyces Cerevisiae Y1001	n/a		Bruce et al., 2004
Bacteria	Burkholderia Andropogonis LMG 2129	n/a		Blom et al., 2011
Bacteria	Burkholderia Anthina LMG 20980	n/a		Blom et al., 2011
Bacteria	Burkholderia Caledonica LMG 19076	n/a		Blom et al., 2011
Bacteria	Burkholderia Caribensis LMG 18531	n/a		Blom et al., 2011
Bacteria	Burkholderia Caryophylli LMG 2155	n/a		Blom et al., 2011
Bacteria	Burkholderia Fungorum LMG 16225	n/a		Blom et al., 2011
Bacteria	Burkholderia Gladioli LMG 2216	n/a		Blom et al., 2011
Bacteria	Burkholderia Glathei LMG 14190	n/a		Blom et al., 2011
Bacteria	Burkholderia Glumae LMG 2196	n/a		Blom et al., 2011
Bacteria	Burkholderia Graminis LMG 18924	n/a		Blom et al., 2011
Bacteria	Burkholderia Lata LMG 22485	n/a		Blom et al., 2011
Bacteria	Burkholderia Pyrrocinia LMG 21822	n/a		Blom et al., 2011
Bacteria	Burkholderia Xenovorans LMG 21463	n/a		Blom et al., 2011
Bacteria	Cellulomonas Uda	n/a		Blom et al., 2011
Bacteria	Escherichia Coli	n/a		Tait et al., 2014
Bacteria	Escherichia Coli OP50	n/a		Blom et al., 2011
Bacteria	Klebsiella Pneumoniae	n/a		Tait et al., 2014
Bacteria	Lactobacillus Paracasei LSL 248	na	na	PogaÄiÄ‡ et al., 2016
Bacteria	Pseudomonas Chlororaphis	n/a		Blom et al., 2011
Bacteria	Salinispora Tropica CNB-440	na	marine sediment	Groenhagen et al., 2016
Bacteria	Serratia Plymuthica IC14	n/a		Blom et al., 2011
Bacteria	Staphylococcus Aureus	n/a		Tait et al., 2014
Bacteria	Staphylococcus Epidermidis		DSMZ	Verhulst et al. 2010
Bacteria	Staphylococcus Sciuri	attract Episyrphus balteatus	from the gut flora of pea aphid Acyrthosiphon pisum honeydew	Leroy et al., 2011
Bacteria	Staphylococcus Xylosus	n/a		Schulz and Dickschat, 2007
Bacteria	Clostridium Difficile		outbreak 2006 UK	Rees et al 2016
Bacteria	Stigmatella Aurantiaca DW4/3-1	n/a		Dickschat et al., 2005_5
Bacteria	Bacillus Amyloliquefaciens IN937a	n/a		Lee et al., 2012
Bacteria	Bacillus Subtilis GB03	n/a		Lee et al., 2012
Bacteria	Corynebacterium Striatum RV2		clinical isolate	Lemfack et al. 2016
Bacteria	Corynebacterium Striatum V6894		clinical isolate	Lemfack et al. 2016
Bacteria	Paenibacillus Polymyxa E681	n/a		Lee et al., 2012
Bacteria	Staphylococcus Epidermidis ATCC 12228			Lemfack et al. 2016
Bacteria	Staphylococcus Epidermidis ATCC 14990		clinical isolate,nose	Lemfack et al. 2016
Bacteria	Staphylococcus Epidermidis DSM 3269		clinical isolate,catheter	Lemfack et al. 2016
Bacteria	Staphylococcus Epidermidis RP62A		clinical isolate,catheter	Lemfack et al. 2016
Bacteria	Staphylococcus Haemolyticus CCM 2729		clinical isolate,human skin	Lemfack et al. 2016
Bacteria	Staphylococcus Intermedius 9S		clinical isolate	Lemfack et al. 2016
Bacteria	Staphylococcus Saccharolyticus B5709		clinical isolate	Lemfack et al. 2016
Bacteria	Staphylococcus Schleiferi DSMZ 4807		clinical isolate	Lemfack et al. 2016
Bacteria	Staphylococcus Schleiferi H34		clinical isolate	Lemfack et al. 2016
Bacteria	Staphylococcus Schleiferi V431		clinical isolate	Lemfack et al. 2016
Bacteria	Staphylococcus Sciuri ATCC 29061		Southernflying squirrel skin	Lemfack et al. 2016
Bacteria	Staphylococcus Sciuri H4286		clinical isolate	Lemfack et al. 2016
Bacteria	Staphylococcus Sciuri OR		clinical isolate	Lemfack et al. 2016
Bacteria	Staphylococcus Sciuri V405		clinical isolate	Lemfack et al. 2016
Bacteria	Staphylococcus Sciuri Y		clinical isolate	Lemfack et al. 2016
Bacteria	Staphylococcus Warneri CCM 2730		clinical isolate,human skin	Lemfack et al. 2016
Bacteria	Streptomyces			Jones et al. eLife 2017;6:e21738.
Fungi	Ascocoryne Sarcoides NRRL 50072	n/a		Mallette et al. 2012
Bacteria	Bacteroides Fragilis	Reduction of heat resistant spores, prevention of spore formation of Salmonella typhimurium, Salmonella enteritidis, Escherichia coli, Pseudomonas aeroginosa, Clostridium perfringenes and Clostridium difficile.		Hinton and Hume, 1995
Bacteria	Veillonella Spp.	Reduction of heat resistant spores, prevention of spore formation of Salmonella typhimurium, Salmonella enteritidis, Escherichia coli, Pseudomonas aeroginosa, Clostridium perfringenes and Clostridium difficile.		Hinton and Hume, 1995
Bacteria	Actinomyces Europaeus		clinical exudates	Julak et al. 2003
Bacteria	Actinomyces Naeslundii		clinical exudates	Julak et al. 2003
Bacteria	Azospirillum Brasilense Cd	promotion of performance of Chlorella sorokiniana Shih	culture collection DSMZ 1843	Amavizca et al. 2017
Bacteria	Bacillus Pumilus ES4	promotion of performance of Chlorella sorokiniana Shih		Amavizca et al. 2017
Bacteria	Bacteroides Capillosus		clinical exudates	Julak et al. 2003
Bacteria	Bacteroides Distasonis	n/a		Wiggins et al., 1985
Bacteria	Bacteroides Fragilis		clinical exudates	Julak et al. 2003
Bacteria	Bacteroides Ovatus	n/a		Wiggins et al., 1985
Bacteria	Bacteroides Pyogenes		clinical exudates	Julak et al. 2003
Bacteria	Bacteroides Thetaiotamicron	n/a		Wiggins et al., 1985
Bacteria	Bacteroides Vulgatus	n/a		Wiggins et al., 1985
Bacteria	Capnocytophaga Ochracea ATCC 33596	n/a		Kurita-Ochiai et al., 1995
Bacteria	Clostridium Bifermentans	n/a		Wiggins et al., 1985
Bacteria	Clostridium Difficile		clinical exudates	Julak et al. 2003
Bacteria	Clostridium Perfringens		clinical exudates	Julak et al. 2003
Bacteria	Clostridium Ramosum		clinical exudates	Julak et al. 2003
Bacteria	Clostridium Septicum		clinical exudates	Julak et al. 2003
Bacteria	Clostridium Sp.	n/a		Stotzky and Schenk, 1976
Bacteria	Clostridium Sporogenes	n/a		Wiggins et al., 1985
Bacteria	Eubacterium Lentum		clinical exudates	Julak et al. 2003
Bacteria	Fusobacterium Nucleatum	Inhibition of proliferation and cytokine production in Lymphocyte cells.		Kurita-Ochiai et al., 1995
Bacteria	Fusobacterium Simiae		clinical exudates	Julak et al. 2003
Bacteria	Lactobacillus Acidophilus		clinical exudates	Julak et al. 2003
Bacteria	Peptococcus Niger		clinical exudates	Julak et al. 2003
Bacteria	Peptostreptococcus Anaerobicus		clinical exudates	Julak et al. 2003
Bacteria	Peptostreptococcus Asaccharolyticus		clinical exudates	Julak et al. 2003
Bacteria	Peptostreptococcus Prevotii		clinical exudates	Julak et al. 2003
Bacteria	Porphyromonas Gingivalis	Inhibition of proliferation and cytokine production in Lymphocyte cells.		Kurita-Ochiai et al., 1995
Bacteria	Porphyromonas Gingivalis FDC381	n/a		Kurita-Ochiai et al., 1995
Bacteria	Porphyromonas Gingivalis W83	n/a		Kurita-Ochiai et al., 1995
Bacteria	Prevotella Intermedia ATCC 25261	n/a		Kurita-Ochiai et al., 1995
Bacteria	Prevotella Loescheii	Inhibition of proliferation and cytokine production in Lymphocyte cells.		Kurita-Ochiai et al., 1995
Bacteria	Prevotella Loescheii ATCC 15930	n/a		Kurita-Ochiai et al., 1995
Bacteria	Propionibacterium Acnes		clinical exudates	Julak et al. 2003
Bacteria	Propionibacterium Propionicum		clinical exudates	Julak et al. 2003
Bacteria	Staphylococcus Epidermidis		clinical exudates	Julak et al. 2003
Fungi	Agaricus Bisporus	Stimulation of spore germination of Agaricus bisporus.		Stotzky and Schenk, 1976
Fungi	Aspergillus Ustus	na	water damaged buildings, Belgium	Polizzi et al., 2012
Fungi	Muscodor Albus			Ezra et al. 2005
Fungi	Penicillium Polonicum	na	water damaged buildings, Belgium	Polizzi et al., 2012
Fungi	Penicillium Spp			Ezra et al. 2005
Fungi	Polysporus Sulfureus			Ezra et al. 2005

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Bacteria	Klebsiella Pneumoniae	VF (peptone, NaCl) and VL broth (casein hydrolysate, yeast extract, beef extract, cysteine, glucose, NaCl)	HS-SPME/GC-MS
Bacteria	Staphylococcus Aureus	VF (peptone, NaCl)	HS-SPME/GC-MS
Bacteria	Staphylococcus Aureus		GCMS DSQ	no
Bacteria	Escherichia Coli O157:H7	Trypticase Soy Broth (TSB)	HS-SPME/'GC-MS	no
Bacteria	Serratia Spp. B2675	n/a	n/a
Bacteria	Serratia Spp. B675	n/a	n/a
Bacteria	Staphylococcus Aureus ATCC 6538	Trypticase Soy Broth (TSB)	HS-SPME/'GC-MS	no
Fungi	Saccharomyces Cerevisiae Y1001	n/a	n/a
Bacteria	Burkholderia Andropogonis LMG 2129	MR-VP, MS and Angle	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria	Burkholderia Anthina LMG 20980	MR-VP, MS and Angle	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria	Burkholderia Caledonica LMG 19076	MR-VP, MS and Angle	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria	Burkholderia Caribensis LMG 18531	MR-VP, MS and Angle	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria	Burkholderia Caryophylli LMG 2155	MR-VP, MS and Angle	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria	Burkholderia Fungorum LMG 16225	MR-VP, MS and Angle	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria	Burkholderia Gladioli LMG 2216	MS and Angle	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria	Burkholderia Glathei LMG 14190	MR-VP, MS and Angle	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria	Burkholderia Glumae LMG 2196	MR-VP, MS and Angle	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria	Burkholderia Graminis LMG 18924	MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria	Burkholderia Lata LMG 22485	MR-VP, MS and Angle	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria	Burkholderia Pyrrocinia LMG 21822	MR-VP, MS and Angle	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria	Burkholderia Xenovorans LMG 21463	Angle	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria	Cellulomonas Uda	MR-VP and MS	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria	Escherichia Coli	BHI Broth/ TS Broth/Glucose EF base broth	GC-MS /Polar GC Column
Bacteria	Escherichia Coli OP50	MR-VP, MS and Angle	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria	Klebsiella Pneumoniae	BHI Broth/ TS Broth/Glucose EF base broth	GC-MS /Polar GC Column
Bacteria	Lactobacillus Paracasei LSL 248	curd-based broth medium	GC/MS	Yes
Bacteria	Pseudomonas Chlororaphis	MS and Angle	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria	Salinispora Tropica CNB-440	seawater-based A1	GC/MS
Bacteria	Serratia Plymuthica IC14	MR-VP and Angle	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
Bacteria	Staphylococcus Aureus	BHI Broth/ TS Broth/Glucose EF base broth	GC-MS /Polar GC Column
Bacteria	Staphylococcus Epidermidis	CLSA, charcoal, GC-MS		no
Bacteria	Staphylococcus Sciuri	873 liquid medium	SPME-GC/MS
Bacteria	Staphylococcus Xylosus	n/a	n/a
Bacteria	Clostridium Difficile	brain heart infusion	GCxGC-TOF-MS	yes
Bacteria	Stigmatella Aurantiaca DW4/3-1	n/a	n/a
Bacteria	Bacillus Amyloliquefaciens IN937a	Tryptic soy agar	SPME coupled with GC-MS
Bacteria	Bacillus Subtilis GB03	Tryptic soy agar	SPME coupled with GC-MS
Bacteria	Corynebacterium Striatum RV2	brain heart infusion medium	Porapak / GC/MS	no
Bacteria	Corynebacterium Striatum V6894	brain heart infusion medium	Porapak / GC/MS	no
Bacteria	Paenibacillus Polymyxa E681	Tryptic soy agar	SPME coupled with GC-MS
Bacteria	Staphylococcus Epidermidis ATCC 12228	brain heart infusion medium	Porapak / GC/MS	no
Bacteria	Staphylococcus Epidermidis ATCC 14990	brain heart infusion medium	Porapak / GC/MS	no
Bacteria	Staphylococcus Epidermidis DSM 3269	brain heart infusion medium	Porapak / GC/MS	no
Bacteria	Staphylococcus Epidermidis RP62A	brain heart infusion medium	Porapak / GC/MS	no
Bacteria	Staphylococcus Haemolyticus CCM 2729	brain heart infusion medium	Porapak / GC/MS	no
Bacteria	Staphylococcus Intermedius 9S	brain heart infusion medium	Porapak / GC/MS	no
Bacteria	Staphylococcus Saccharolyticus B5709	brain heart infusion medium	Porapak / GC/MS	no
Bacteria	Staphylococcus Schleiferi DSMZ 4807	brain heart infusion medium	Porapak / GC/MS	no
Bacteria	Staphylococcus Schleiferi H34	brain heart infusion medium	Porapak / GC/MS	no
Bacteria	Staphylococcus Schleiferi V431	brain heart infusion medium	Porapak / GC/MS	no
Bacteria	Staphylococcus Sciuri ATCC 29061	brain heart infusion medium	Porapak / GC/MS	no
Bacteria	Staphylococcus Sciuri H4286	brain heart infusion medium	Porapak / GC/MS	no
Bacteria	Staphylococcus Sciuri OR	brain heart infusion medium	Porapak / GC/MS	no
Bacteria	Staphylococcus Sciuri V405	brain heart infusion medium	Porapak / GC/MS	no
Bacteria	Staphylococcus Sciuri Y	brain heart infusion medium	Porapak / GC/MS	no
Bacteria	Staphylococcus Warneri CCM 2730	brain heart infusion medium	Porapak / GC/MS	no
Bacteria	Streptomyces	YPD agar	GCxGC-TOFMS	no
Fungi	Ascocoryne Sarcoides NRRL 50072	Minimal medium	PTR-MS and SPME GC-MS
Bacteria	Bacteroides Fragilis	n/a	n/a
Bacteria	Veillonella Spp.	n/a	n/a
Bacteria	Actinomyces Europaeus	peptone/casein hydrolysate, yeast extract, beef extract, glucose	GC-FID FSOT NUKOL	yes
Bacteria	Actinomyces Naeslundii	peptone/casein hydrolysate, yeast extract, beef extract, glucose	GC-FID FSOT NUKOL	yes
Bacteria	Azospirillum Brasilense Cd	TSA	SPME-GC	no
Bacteria	Bacillus Pumilus ES4	TSA	SPME-GC	no
Bacteria	Bacteroides Capillosus	peptone/casein hydrolysate, yeast extract, beef extract, glucose	GC-FID FSOT NUKOL	yes
Bacteria	Bacteroides Distasonis	n/a	n/a
Bacteria	Bacteroides Fragilis	peptone/casein hydrolysate, yeast extract, beef extract, glucose	GC-FID FSOT NUKOL	yes
Bacteria	Bacteroides Ovatus	n/a	n/a
Bacteria	Bacteroides Pyogenes	peptone/casein hydrolysate, yeast extract, beef extract, glucose	GC-FID FSOT NUKOL	yes
Bacteria	Bacteroides Thetaiotamicron	n/a	n/a
Bacteria	Bacteroides Vulgatus	n/a	n/a
Bacteria	Capnocytophaga Ochracea ATCC 33596	n/a	n/a
Bacteria	Clostridium Bifermentans	n/a	n/a
Bacteria	Clostridium Difficile	peptone/casein hydrolysate, yeast extract, beef extract, glucose	GC-FID FSOT NUKOL	yes
Bacteria	Clostridium Perfringens	peptone/casein hydrolysate, yeast extract, beef extract, glucose	GC-FID FSOT NUKOL	yes
Bacteria	Clostridium Ramosum	peptone/casein hydrolysate, yeast extract, beef extract, glucose	GC-FID FSOT NUKOL	yes
Bacteria	Clostridium Septicum	peptone/casein hydrolysate, yeast extract, beef extract, glucose	GC-FID FSOT NUKOL	yes
Bacteria	Clostridium Sp.	n/a	n/a
Bacteria	Clostridium Sporogenes	n/a	n/a
Bacteria	Eubacterium Lentum	peptone/casein hydrolysate, yeast extract, beef extract, glucose	GC-FID FSOT NUKOL	yes
Bacteria	Fusobacterium Nucleatum	n/a	n/a
Bacteria	Fusobacterium Simiae	peptone/casein hydrolysate, yeast extract, beef extract, glucose	GC-FID FSOT NUKOL	yes
Bacteria	Lactobacillus Acidophilus	peptone/casein hydrolysate, yeast extract, beef extract, glucose	GC-FID FSOT NUKOL	yes
Bacteria	Peptococcus Niger	peptone/casein hydrolysate, yeast extract, beef extract, glucose	GC-FID FSOT NUKOL	yes
Bacteria	Peptostreptococcus Anaerobicus	peptone/casein hydrolysate, yeast extract, beef extract, glucose	GC-FID FSOT NUKOL	yes
Bacteria	Peptostreptococcus Asaccharolyticus	peptone/casein hydrolysate, yeast extract, beef extract, glucose	GC-FID FSOT NUKOL	yes
Bacteria	Peptostreptococcus Prevotii	peptone/casein hydrolysate, yeast extract, beef extract, glucose	GC-FID FSOT NUKOL	yes
Bacteria	Porphyromonas Gingivalis	n/a	n/a
Bacteria	Porphyromonas Gingivalis FDC381	n/a	n/a
Bacteria	Porphyromonas Gingivalis W83	n/a	n/a
Bacteria	Prevotella Intermedia ATCC 25261	n/a	n/a
Bacteria	Prevotella Loescheii	n/a	n/a
Bacteria	Prevotella Loescheii ATCC 15930	n/a	n/a
Bacteria	Propionibacterium Acnes	peptone/casein hydrolysate, yeast extract, beef extract, glucose	GC-FID FSOT NUKOL	yes
Bacteria	Propionibacterium Propionicum	peptone/casein hydrolysate, yeast extract, beef extract, glucose	GC-FID FSOT NUKOL	yes
Bacteria	Staphylococcus Epidermidis	peptone/casein hydrolysate, yeast extract, beef extract, glucose	GC-FID FSOT NUKOL	yes
Fungi	Agaricus Bisporus	n/a	n/a
Fungi	Aspergillus Ustus	malt extract agar; potato dextrose agar; water agar; yeast extract agar; Czapek agar	SPME-GC/MS	No
Fungi	Muscodor Albus			no
Fungi	Penicillium Polonicum	malt extract agar; potato dextrose agar; water agar; yeast extract agar; Czapek agar	SPME-GC/MS	No
Fungi	Penicillium Spp			no
Fungi	Polysporus Sulfureus			no

2-methylfuran

Mass-Spectra

Compound Details

Synonymous names

Methylfuran

alpha-Methylfuran

VQKFNUFAXTZWDK-UHFFFAOYSA-N

Sylvan

Silvan

2methylfuran

Methyl furan

2-METHYLFURAN

AC1L1VYQ

5-Methylfuran

FURAN,METHYL-

.alpha.-Methylfuran

2-Methylfuran, analytical standard

2-Methyl furan

2-METHYL-FURAN

H639

AC1Q2R63

NSC3707

NSC5211

PubChem11230

Silvan [Czech]

UN2301

Furan, methyl-

2-METHYLFURAN,99%,STABILIZED

51O3BGW3F2

CTK1A6077

M0226

RP18394

LS-197

UNII-51O3BGW3F2

CCRIS 2920

LTBB003942

HE020704

AK163149

HE140520

HE140521

HE349545

NSC 3707

NSC-3707

NSC-5211

STL264121

UN 2301

BC001078

CHEMBL1445555

DTXSID9025611

ZINC1666987

CHEBI:88912

ACMC-209l78

A829577

DSSTox_CID_5611

DSSTox_GSID_25611

ANW-31746

TRA0010438

CJ-27020

TRA0074450

AN-21295

KB-25115

WLN: T5OJ B1

Furan, 2-methyl-

MFCD00003248

DSSTox_RID_77854

ZINC01666987

DB-015962

ST24040899

RTC-040019

AI3-24245

J-510050

AKOS000120176

I14-6532

FT-0613043

BRN 0103733

Z940713482

2-Methylfuran, 99%, FG

2-Methylfuran, >=98%, stabilized with BHT

Tox21_200203

F0001-1386

534-22-5

NCGC00257757-01

NCGC00091686-02

NCGC00091686-01

MCULE-3620289319

CAS-534-22-5

EINECS 248-253-8

EINECS 208-594-5

27137-41-3

MolPort-019-317-114

2-Methylfuran [UN2301] [Flammable liquid]

5-17-01-00322 (Beilstein Handbook Reference)

2-Methylfuran, contains 200-400 BHT as stabilizer, 99%

InChI=1/C5H6O/c1-5-3-2-4-6-5/h2-4H,1H

IUPAC name

2-methylfuran

SMILES

CC1=CC=CO1

Inchi

InChI=1S/C5H6O/c1-5-3-2-4-6-5/h2-4H,1H3

Formula

C₅H₆O

PubChem ID

10797

Molweight

82.102

LogP

1.31

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

Furan furans ethers heterocyclic compounds

mVOC Specific Details

MS-Links

MS-MS Spectrum 90953

MS-MS Spectrum 154230

MS-MS Spectrum 154232

MS-MS Spectrum 154231

MS-MS Spectrum 90951

MS-MS Spectrum 90952

Microorganisms emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Bacteria	Burkholderia Sp. AD24	bacterial interations	rhizosphere and bulk soil of Carex arenaria	Tyc et al. 2017
Bacteria	Klebsiella Pneumoniae ATCC 13883			Rees et al. 2017
Bacteria	Paenibacillus Sp. AD87	bacterial interations	rhizosphere and bulk soil of Carex arenaria	Tyc et al. 2017
Bacteria	Thermoactinomyces Spp.	n/a		Schulz and Dickschat, 2007
Bacteria	Thermoactinomyces Vulgaris DSM 43016	na	soil	Wilkins, 1996
Fungi				Nemcovic et al. 2008
Fungi	Aspergillus Versicolor			Schleibinger et al.,2005
Fungi	Eurotium Amstelodami			Schleibinger et al.,2005
Fungi	Penicillium Brevicompactum			Schleibinger et al.,2005
Fungi	Tuber Borchii	n/a	Fortywoodland of the Basilicata region	Mauriello et al., 2004
Bacteria	Bacillus Amyloliquefaciens IN937a	n/a		Lee et al., 2012
Bacteria	Streptomyces			Jones et al. eLife 2017;6:e21738.

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Bacteria	Burkholderia Sp. AD24	TSBA	GC-Q-TOF	no
Bacteria	Klebsiella Pneumoniae ATCC 13883	LB	SPME / GCxGC-TOFMS	no
Bacteria	Paenibacillus Sp. AD87	TSBA	GC-Q-TOF	no
Bacteria	Thermoactinomyces Spp.	n/a	n/a
Bacteria	Thermoactinomyces Vulgaris DSM 43016	Nutrient agar CM3	GC/MS
Fungi				no
Fungi	Aspergillus Versicolor	ingrain wallpaper	GC/MS-SIM	Yes
Fungi	Eurotium Amstelodami	ingrain wallpaper	GC/MS-SIM	Yes
Fungi	Penicillium Brevicompactum	ingrain wallpaper	GC/MS-SIM	Yes
Fungi	Tuber Borchii	n/a	microextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)
Bacteria	Bacillus Amyloliquefaciens IN937a	Tryptic soy agar	SPME coupled with GC-MS
Bacteria	Streptomyces	YPD agar	GCxGC-TOFMS	no

3-methylbutanal

Mass-Spectra

Compound Details

Synonymous names

Isovalerylaldehyde

ISOVALERALDEHYDE

Aldehyde isovalerianique

beta-Methylbutyraldehyde

Isoamylaldehyde

Isopentaldehyde

ISOVALERALDEHYDE,TECH

Isopentanal

Isovaleral

Isovaleraldehyde, analytical standard

Isovaleric aldehyde

beta-Methylbutanal

Iso-Valeraldehyde

YGHRJJRRZDOVPD-UHFFFAOYSA-N

3-Methylbutylaldehyde

3-Methylbutyraldehyde

b-Methylbutanal

Isoamyl aldehyde

Methyl butanal

3-Methylbutanal

3-Methyl butyraldehyde

3-methyl-Butyraldehyde

AC1L1XLJ

ACMC-1ATPF

Aldehyde isovalerianique [French]

.beta.-Methylbutanal

3-methyl butanal

3-Methyl-Butanal

AC1Q1P7B

iso-C4H9CHO

Isovaleraldehyde, 97%

3-Methylbutyraldehyde (natural)

2-Methylbutanal-4

Butanal, methyl-

KSC270C4R

CHEMBL18360

CTK1H0148

HMDB06478

HSDB 628

I0192

Z4917

Butyraldehyde, 3-methyl-

RP18454

3-Methyl-1-butanal

3-Methylbutan-1-al

C07329

CCRIS 2945

Isovaleraldehyde, >=97%, FG

ZINC896832

AK130482

BBL027631

DTXSID1021619

LS-2913

MP-2148

NSC404119

OR000198

OR111347

OR290748

STL146355

WLN: VH1Y1&1

Butanal, 3-methyl-

CHEBI:16638

DSSTox_CID_1619

69931RWI96

AN-21530

ANW-33143

CJ-04498

DSSTox_GSID_21619

EBD2211673

KB-77969

SC-27291

TRA0100272

BB_NC-2289

BDBM50028832

DSSTox_RID_76239

Isovaleraldehyde, natural, >=95%, FG

MFCD00007014

ZINC00896832

AI3-16106

NSC 404119

NSC-404119

RTR-030709

TR-030709

UNII-69931RWI96

AKOS000118930

I14-2596

J-512894

BRN 0773692

FEMA No. 2692

FT-0627530

1-Butanal, 3-methyl-

Tox21_200891

590-86-3

F2190-0631

NCGC00248867-01

NCGC00258445-01

CAS-590-86-3

EINECS 209-691-5

6398-EP2374783A1

6398-EP2377841A1

6398-EP2380871A1

MolPort-001-787-528

ISOVALERALDEHYDE, B.P.91-93<144>

4-01-00-03291 (Beilstein Handbook Reference)

InChI=1/C5H10O/c1-5(2)3-4-6/h4-5H,3H2,1-2H

IUPAC name

3-methylbutanal

SMILES

CC(C)CC=O

Inchi

InChI=1S/C5H10O/c1-5(2)3-4-6/h4-5H,3H2,1-2H3

Formula

(CH₃)₂CHCH₂CHO

PubChem ID

11552

Molweight

86.134

LogP

1.05

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

Aldehydes

mVOC Specific Details

Volatilization

The Henry's Law constant for 3-methylbutanal is estimated as 4.0X10-4 atm-cu m/mole(SRC) derived from its vapor pressure, 50 mm Hg(1), and water solubility, 1.4X10+4 mg/L(2). This Henry's Law constant indicates that 3-methylbutanal is expected to volatilize rapidly from water surfaces(3). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec)(3) is estimated as 5 hours(SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(3) is estimated as 4 days(SRC). 3-Methylbutanal's estimated Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). The potential for volatilization of 3-methylbutanal from dry soil surfaces may exist(SRC) based upon its vapor pressure(1).
Literature: (1) Clayton GD, Clayton FE; Patty's Industrial Hygiene and Toxicology Volume III 2nd ed 3A: The Work Environment NY,NY: John Wiley Sons p. 2638 (1985) (2) Falbe J, Lappe P; in Ullmann's Encycl Indust Chem 5th ed. Gerhartz W, ed Deerfield Beach, FL: VCH Publishers A1: 321-52 (1985) (3) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990)

Soil Adsorption

The Koc of 3-methylbutanal is estimated as 23(SRC), using a water solubility of 1.4X10+4 mg/L(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that 3-methylbutanal is expected to have very high mobility in soil.
Literature: (1) Falbe J, Lappe P; in Ullmann's Encycl Indust Chem 5th ed. Gerhartz W, ed Deerfield Beach, FL: VCH Publishers A1: 321-52 (1985) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 4-5 (1990) (3) Swann RL et al; Res Rev 85: 17-28 (1983)

Vapor Pressure

Pressure	Reference
50 mm Hg at approx 25 deg C	Clayton, G. D. and F. E. Clayton (eds.). Patty's Industrial Hygiene and Toxicology: Volume 2A, 2B, 2C: Toxicology. 3rd ed. New York: John Wiley Sons, 1981-1982., p. 2638

MS-Links

MS-MS Spectrum 21509

MS-MS Spectrum 18182

MS-MS Spectrum 2485 - Quattro_QQQ 25V Positive delivery=Flow_Injection analyzer=Triple_Quad

MS-MS Spectrum 2486 - Quattro_QQQ 40V Positive delivery=Flow_Injection analyzer=Triple_Quad

MS-MS Spectrum 2484 - Quattro_QQQ 10V Positive delivery=Flow_Injection analyzer=Triple_Quad

MS-MS Spectrum 6113 - EI-B (HITACHI RMU-6M) Positive

MS-MS Spectrum 6112 - EI-B (HITACHI RMU-6M) Positive

1D-NMR-Links

1D NMR Spectrum 2040 - Bruker 600 MHz 1H NMR

Microorganisms emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Bacteria	Serratia Spp. B2675	n/a		Bruce et al., 2004
Bacteria	Serratia Spp. B675	n/a		Bruce et al., 2004
Fungi	Saccharomyces Cerevisiae Y1001	n/a		Bruce et al., 2004
Bacteria	Coagulase Negative Staphylococci		milk of cows	Hettinga et al 2010
Bacteria	Escherichia Coli		milk of cows	Hettinga et al 2010
Bacteria	L Isteria Monocytogenes	n/a		Arnold and Senter, 1998
Bacteria	Staphylococcus Aureus		milk of cows	Hettinga et al 2010
Bacteria	Streptococcus Dysgalactiae		milk of cows	Hettinga et al 2010
Fungi	Tuber Aestivum		Burgundy region	Molinier et al., 2015
Bacteria	Staphylococcus Aureus ATCC 6538		China Center of Industrial culture Collection, China General Microbiological Culture Collection Center	Chen et Al. 2016
Fungi	Tuber Aestivum	n/a	Agricultural Centre of Castilla and LeÃƒÂ³n Community (Monasterio de la Santa Espina, Valladolid, Spain) and Navaleno (Soria, Spain).	Diaz et al., 2003
Fungi	Tuber Melanosporum	n/a	Agricultural Centre of Castilla and LeÃƒÂ³n Community (Monasterio de la Santa Espina, Valladolid, Spain) and Navaleno (Soria, Spain).	Diaz et al., 2003
Bacteria	Citrobacter Freundii		American Type Culture Collection	Robacker and Bartelt 1997
Bacteria	Klebsiella Pneumoniae		American Type Culture Collection	Robacker and Bartelt 1997
Bacteria	Lactobacillus Helveticus CIRM449	na	yoghurt	PogaÄiÄ‡ et al., 2016
Bacteria	Staphylococcus Aureus	n/a		Jia et al., 2010
Bacteria	Staphylococcus Epidermidis		DSMZ	Verhulst et al. 2010
Bacteria	Staphylococcus Sciuri	na	from the gut flora of pea aphid Acyrthosiphon pisum honeydew	Leroy et al., 2011
Bacteria	Staphylococcus Sp.	n/a		Schulz and Dickschat, 2007
Fungi	Fusarium Graminearum 15AcDON	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum 15AcDON 1001ta	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum 15AcDON ZFR 29	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum 15AcDON_4	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum 15AcDON_5	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum 15AcDON_6	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum 15AcDON_7	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum 15AcDON_8	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum 15AcDON_9	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum 3AcDON 1002t	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum 3AcDON 11791	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum 3AcDON 1509	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum 3AcDON 8046	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum 3AcDON NRRL38369	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum 3AcDON NRRL6394	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum 3AcDON ZFR 15	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum 3AcDON ZFR 37	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum 3AcDON ZFR 51	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum NIV	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum NIV 357	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum NIV ZFR 119	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum NIV ZFR 23	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum NIV ZFR 48	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum NIV_5	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum NIV_6	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum NIV_7	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum NIV_8	n/a		Busko et al., 2014
Fungi	Trichoderma Viride			Hung et al., 2013
Fungi	Tuber Aestivum	n/a	Prof. Mattia Bentivenga (UniversitÃ di Perugia, Perugia, Italy) and in the fortywoodland of the Basilicata region	Mauriello et al., 2004
Fungi	Tuber Borchii	n/a	Prof. Mattia Bentivenga (UniversitÃ di Perugia, Perugia, Italy) and in the fortywoodland of the Basilicata region	Mauriello et al., 2004
Fungi	Tuber Brumale	n/a	Prof. Mattia Bentivenga (UniversitÃ di Perugia, Perugia, Italy) and in the fortywoodland of the Basilicata region	Mauriello et al., 2004
Fungi	Tuber Excavatum	n/a	Prof. Mattia Bentivenga (UniversitÃ di Perugia, Perugia, Italy) and in the fortywoodland of the Basilicata region	Mauriello et al., 2004
Fungi	Tuber Indicum	n/a		Splivallo et al., 2007
Fungi	Tuber Magnatum	n/a	Prof. Mattia Bentivenga (UniversitÃ di Perugia, Perugia, Italy) and in the fortywoodland of the Basilicata region	Mauriello et al., 2004
Fungi	Tuber Melanosporum	n/a		Splivallo et al., 2007
Fungi	Tuber Mesentericum	n/a	Prof. Mattia Bentivenga (UniversitÃ di Perugia, Perugia, Italy) and in the fortywoodland of the Basilicata region	Mauriello et al., 2004
Fungi	Tuber Oligospermum	n/a	Prof. Mattia Bentivenga (UniversitÃ di Perugia, Perugia, Italy) and in the fortywoodland of the Basilicata region	Mauriello et al., 2004
Fungi	Tuber Panniferum	n/a	Prof. Mattia Bentivenga (UniversitÃ di Perugia, Perugia, Italy) and in the fortywoodland of the Basilicata region	Mauriello et al., 2004
Fungi	Tuber Uncinatum	n/a	France, Italy, Switzerland, the UK, Austria, Romania, and Hungary	Splivallo et al., 2012
Bacteria	Bacillus Amyloliquefaciens IN937a	n/a		Lee et al., 2012
Bacteria	Bacillus Subtilis GB03	n/a		Lee et al., 2012
Bacteria	Paenibacillus Polymyxa E681	n/a		Lee et al., 2012
Fungi	Tuber Mesentericum	n/a	Ayme Truffe of Grignan, 26230 France	March et al., 2006
Fungi	Tuber Miesentericum			March et al., 2006
Fungi	Muscodor Albus CZ-620	n/a		Corcuff et al., 2011
Fungi	Aspergillus Sp.			Jelen and Grabarkiewicz-Szczesna 2006
Fungi	Fusarium Sp.			Jelen and Grabarkiewicz-Szczesna 2006

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Bacteria	Serratia Spp. B2675	n/a	n/a
Bacteria	Serratia Spp. B675	n/a	n/a
Fungi	Saccharomyces Cerevisiae Y1001	n/a	n/a
Bacteria	Coagulase Negative Staphylococci		GCMS DSQ	no
Bacteria	Escherichia Coli		GCMS DSQ	no
Bacteria	L Isteria Monocytogenes		HS-SPME/GC-MS
Bacteria	Staphylococcus Aureus		GCMS DSQ	no
Bacteria	Streptococcus Dysgalactiae		GCMS DSQ	no
Fungi	Tuber Aestivum		HS-SPME/GC-MS	Yes
Bacteria	Staphylococcus Aureus ATCC 6538	Trypticase Soy Broth (TSB)	HS-SPME/'GC-MS	no
Fungi	Tuber Aestivum	n/a	Headspace solid-phase microextraction (HS-SPME) combined with GC-MS
Fungi	Tuber Melanosporum	n/a	Headspace solid-phase microextraction (HS-SPME) combined with GC-MS
Bacteria	Citrobacter Freundii	tryptic soy broth	SPME, GC-MS	yes
Bacteria	Klebsiella Pneumoniae	tryptic soy broth	SPME, GC-MS	yes
Bacteria	Lactobacillus Helveticus CIRM449	curd-based broth medium	GC/MS	Yes
Bacteria	Staphylococcus Aureus	Mueller Hinton broth	HS-SPME/GC-MS
Bacteria	Staphylococcus Epidermidis	CLSA, charcoal, GC-MS		no
Bacteria	Staphylococcus Sciuri	865 liquid medium	SPME-GC/MS
Bacteria	Staphylococcus Sp.	n/a	n/a
Fungi

Results for: Species: Bacillus amyloliquefaciens IN937a Signature

3-hydroxybutan-2-one

Compound Details

mVOC Specific Details

Propan-2-one

Compound Details

mVOC Specific Details

Butane-2,3-diol

Compound Details

mVOC Specific Details

Butan-1-ol

Compound Details

mVOC Specific Details

Butane-2,3-dione

Compound Details

mVOC Specific Details

Ethanol

Compound Details

mVOC Specific Details

Methanethiol

Compound Details

mVOC Specific Details

3-methylbutan-1-ol

Compound Details

mVOC Specific Details

2-methylpropan-1-ol

Compound Details

mVOC Specific Details

Acetylene

Compound Details

mVOC Specific Details

2-methylbuta-1,3-diene

Compound Details

mVOC Specific Details

Butan-2-one

Compound Details

mVOC Specific Details

Undecan-2-one

Compound Details

mVOC Specific Details

Decanal

Compound Details

mVOC Specific Details

Dodecane

Compound Details

mVOC Specific Details

2-methylbutan-1-ol

Compound Details

mVOC Specific Details

Ethyl Acetate

Compound Details

mVOC Specific Details

3-methylbutanoic Acid

Compound Details

mVOC Specific Details

2-methylfuran

Compound Details

mVOC Specific Details

3-methylbutanal

Compound Details

mVOC Specific Details

Results for:
Species: Bacillus amyloliquefaciens IN937a

Signature