Results for:
Species: Bacillus subtilis GB03

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 name3-hydroxybutan-2-one
SMILESCC(C(=O)C)O
InchiInChI=1S/C4H8O2/c1-3(5)4(2)6/h3,5H,1-2H3
FormulaC4H8O2
PubChem ID179
Molweight88.106
LogP-0.14
Atoms14
Bonds13
H-bond Acceptor2
H-bond Donor1
Chemical ClassificationKetones 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
PressureReference
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
1D-NMR-Links

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaCollimonas Fungivorans Ter331n/aGarbeva et al., 2013
BacteriaCollimonas Pratensis Ter91n/aGarbeva et al., 2013
BacteriaBacillus Amyloliquefaciens IN937atriggers induced systemic resistance (ISR) in ArabidopsisnaRyu et al., 2004
BacteriaBacillus Subtilis 168triggers induced systemic resistance (ISR) in ArabidopsisnaRyu et al., 2004
BacteriaBacillus Subtilis GB03triggers induced systemic resistance (ISR) in ArabidopsisnaRyu et al., 2004
BacteriaEscherichia Coli O157:H8China Center of Industrial culture Collection, China General Microbiological Culture Collection CenterChen et Al. 2017
BacteriaLactobacillus Rhamnosus LSL 216nanaPogačić et al., 2016
BacteriaListeria Monocytogenes ATCC 19111China Center of Industrial culture Collection, China General Microbiological Culture Collection CenterChen et Al. 2016
BacteriaPaenibacillus Polymyxa Sb3-1collection TU GrazRybakova et al. 2017
BacteriaSerratia Spp. B2675n/aBruce et al., 2004
BacteriaSerratia Spp. B675n/aBruce et al., 2004
BacteriaShigella Flexneri CGCMCC 1.1868China Center of Industrial culture Collection, China General Microbiological Culture Collection CenterChen et Al. 2016
BacteriaStaphylococcus Aureusn/aPreti et. al., 2009
BacteriaStaphylococcus Aureus ATCC 6538China Center of Industrial culture Collection, China General Microbiological Culture Collection CenterChen et Al. 2016
BacteriaStaphylococcus EpidermidisDSMZVerhulst et al. 2010
BacteriaStaphylococcus Sciurinafrom the gut flora of pea aphid Acyrthosiphon pisum honeydewLeroy et al., 2011
FungiLaccaria Bicolorn/aMueller et al., 2013
FungiPaxillus Involutus MAJn/aMueller et al., 2013
FungiPaxillus Involutus NAUn/aMueller et al., 2013
FungiPleurotus Eryngii Var. TuoliensisnanaUsami et al., 2014
FungiStropharia Rugosoannulatan/aMueller et al., 2013
FungiTrichoderma Viriden/aMueller et al., 2013
FungiTuber BorchiinanaSplivallo and Ebeler 2015
FungiTuber IndicumT. melanosporum, T. borchii were collected from northern Italy (Piedmont) and T. indicum from Yunnan and Sichuan Provinces (China). Splivallo et al., 2007b
FungiTuber Melanosporumn/aAgricultural Centre of Castilla and León Community (Monasterio de la Santa Espina, Valladolid, Spain) and Navaleno (Soria, Spain).Diaz et al., 2003
BacteriaBacillus Cereus B-569n/aBlom et al., 2011
BacteriaBurkholderia Graminis LMG 18924n/aBlom et al., 2011
BacteriaBurkholderia Tropica LMG 22274n/aBlom et al., 2011
BacteriaChromobacterium Violaceum CV0n/aBlom et al., 2011
BacteriaEnterobacter AgglomeransRobacker and Lauzon 2002
BacteriaLimnobacter Thiooxidans LMG 19593n/aBlom et al., 2011
BacteriaPandoraea Norimbergensis LMG 18379n/aBlom et al., 2011
BacteriaPseudomonas Chlororaphisn/aBlom et al., 2011
BacteriaSerratia Entomophilia A1MO2n/aBlom et al., 2011
BacteriaSerratia Marcescens MG1n/aBlom et al., 2011
BacteriaSerratia Plymuthica HRO-C48n/aBlom et al., 2011
BacteriaSerratia Plymuthica IC14n/aBlom et al., 2011
BacteriaSerratia Proteamaculans B5an/aBlom et al., 2011
BacteriaStenotrophomonas Rhizophilla Ep10-p69n/aBlom et al., 2011
FungiCandida Shehataecacti, fruits, insects, natural habitatsNout and Bartelt 1998
BacteriaAzospirillum Brasilense Cdpromotion of performance of Chlorella sorokiniana Shihculture collection DSMZ 1843Amavizca et al. 2017
BacteriaBacillus Amyloliquefaciens IN937aInduce growth promotion (leaf surface area), systemic resistance (ISR) and regulate auxin homeostasis in Arabidopsis thaliana.Ryu et al., 2003
BacteriaBacillus Amyloliquefaciens UCMB5113nanaAsari et al., 2016
BacteriaBacillus Pumilus ES4promotion of performance of Chlorella sorokiniana ShihAmavizca et al. 2017
BacteriaBacillus Spp.It is an attractant to Anastrepha ludens (Diptera).Schulz and Dickschat, 2007
BacteriaBacillus Subtilis GB03Induce growth promotion (leaf surface area), systemic resistance (ISR) and regulate auxin homeostasis in Arabidopsis thaliana.Ryu et al., 2003
BacteriaClostridium Sp.n/aStotzky and Schenk, 1976
BacteriaCoagulase-negative Staphylococcin/aHettinga et al., 2008
BacteriaEnterobacter Spp.It is an attractant to Anastrepha ludens (Diptera).Schulz and Dickschat, 2007
BacteriaEscherichia Coli DH5apromotion of performance of Chlorella sorokiniana ShihAmavizca et al. 2017
BacteriaKlebsiella Sp.It is an attractant to Anastrepha ludens (Diptera).Schulz and Dickschat, 2007
BacteriaLactobacillus Casei NCIB 8010n/aTracey and Britz, 1989
BacteriaLactobacillus Plantarum NCIB 6376n/aTracey and Britz, 1989
BacteriaLactococcus Lactis DSM 20202n/aTracey and Britz, 1989
BacteriaLeuconostoc Cremoris DSM 20346n/aTracey and Britz, 1989
BacteriaLeuconostoc Dextranicum DSM 20484n/aTracey and Britz, 1989
BacteriaLeuconostoc Mesenteroides DSM 20343n/aTracey and Britz, 1989
BacteriaLeuconostoc Oenos B66n/aTracey and Britz, 1989
BacteriaLeuconostoc Oenos 19n/aTracey and Britz, 1989
BacteriaLeuconostoc Oenos 30n/aTracey and Britz, 1989
BacteriaLeuconostoc Oenos 36n/aTracey and Britz, 1989
BacteriaLeuconostoc Oenos 37Dn/aTracey and Britz, 1989
BacteriaLeuconostoc Oenos DSM 20255n/aTracey and Britz, 1989
BacteriaLeuconostoc Oenos DSM 20257n/aTracey and Britz, 1989
BacteriaLeuconostoc Paramesenteroides DSM 20288n/aTracey and Britz, 1989
BacteriaPaenibacillus Polymyxa E681n/aLee et al., 2012
BacteriaPediococcus Damnosus DSM 20331n/aTracey and Britz, 1989
BacteriaSerratia Sp.It is an attractant to Anastrepha ludens (Diptera).Schulz and Dickschat, 2007
BacteriaStaphylococcus Aureusn/aHettinga et al., 2008
BacteriaStaphylococcus Epidermidis DSM 3269clinical isolate,catheterLemfack et al. 2016
BacteriaStaphylococcus Haemolyticus CCM 2729clinical isolate,human skinLemfack et al. 2016
BacteriaStaphylococcus Saccharolyticus B5709clinical isolateLemfack et al. 2016
BacteriaStaphylococcus Schleiferi DSMZ 4807clinical isolateLemfack et al. 2016
BacteriaStaphylococcus Schleiferi H34clinical isolateLemfack et al. 2016
BacteriaStaphylococcus Sp.It is an attractant to Anastrepha ludens (Diptera).Schulz and Dickschat, 2007
BacteriaStaphylococcus Warneri CCM 2730clinical isolate,human skinLemfack et al. 2016
BacteriaStreptococcus Dysgalactiaemilk of cowsHettinga et al 2010
BacteriaStreptococcus Uberisn/aHettinga et al., 2008
BacteriaStreptomyces Spp.It is an attractant to Anastrepha ludens (Diptera).Schulz and Dickschat, 2007
Fungi Dickschat et al. 2011
FungiBoletus Variegatusn/aStotzky and Schenk, 1976
FungiSaccharomyces Cerevisiaegrape vineBecher et al. 2012
FungiTrichoderma Viriden/aHung et al., 2013
FungiVerticillium Longisporumcollection TU GrazRybakova et al. 2017
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaCollimonas Fungivorans Ter331sand supplemented with artificial root exudatesHeadspace trapping/GC-MS
BacteriaCollimonas Pratensis Ter91sand supplemented with artificial root exudatesHeadspace trapping/GC-MS
BacteriaBacillus Amyloliquefaciens IN937aMurashige and Skoog mediumcapillary GC;GC/MSYes
BacteriaBacillus Subtilis 168Murashige and Skoog mediumcapillary GC;GC/MSYes
BacteriaBacillus Subtilis GB03Murashige and Skoog mediumcapillary GC;GC/MSYes
BacteriaEscherichia Coli O157:H8Trypticase Soy Broth (TSB)HS-SPME/'GC-MSno
BacteriaLactobacillus Rhamnosus LSL 216curd-based broth mediumGC/MSYes
BacteriaListeria Monocytogenes ATCC 19111Trypticase Soy Broth (TSB)HS-SPME/'GC-MSno
BacteriaPaenibacillus Polymyxa Sb3-1GC-MS / SPMEno
BacteriaSerratia Spp. B2675n/an/a
BacteriaSerratia Spp. B675n/an/a
BacteriaShigella Flexneri CGCMCC 1.1868Trypticase Soy Broth (TSB)HS-SPME/'GC-MSno
BacteriaStaphylococcus AureusBlood agar/chocolate blood agaHS-SPME/GC-MS
BacteriaStaphylococcus Aureus ATCC 6538Trypticase Soy Broth (TSB)HS-SPME/'GC-MSno
BacteriaStaphylococcus EpidermidisCLSA, charcoal, GC-MSno
BacteriaStaphylococcus Sciuri867 liquid mediumSPME-GC/MS
FungiLaccaria BicolorMelin-Nor krans synthetic medium (modified)Headspace trapping ( using stir bar sorptive extraction )/ GC-MS
FungiPaxillus Involutus MAJMelin-Nor krans synthetic medium (modified)Headspace trapping ( using stir bar sorptive extraction )/ GC-MS
FungiPaxillus Involutus NAUMelin-Nor krans synthetic medium (modified)Headspace trapping ( using stir bar sorptive extraction )/ GC-MS
FungiPleurotus Eryngii Var. TuoliensisnaGC/MS, GC-O, AEDANo
FungiStropharia RugosoannulataMelin-Nor krans synthetic medium (modified)Headspace trapping ( using stir bar sorptive extraction )/ GC-MS
FungiTrichoderma VirideMelin-Nor krans synthetic medium (modified)Headspace trapping ( using stir bar sorptive extraction )/ GC-MS
FungiTuber BorchiinaSPME-GC/MS/O); GC-RYes
FungiTuber IndicumYes
FungiTuber Melanosporumn/aHeadspace solid-phase microextraction (HS-SPME) combined with GC-MS
BacteriaBacillus Cereus B-569MR-VP and MS Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Graminis LMG 18924MSHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Tropica LMG 22274MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaChromobacterium Violaceum CV0MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaEnterobacter Agglomeransno
BacteriaLimnobacter Thiooxidans LMG 19593 MR-VP and MSHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaPandoraea Norimbergensis LMG 18379MSHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaPseudomonas Chlororaphis MR-VP and MSHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaSerratia Entomophilia A1MO2 MR-VP and MSHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaSerratia Marcescens MG1LB, MR-VP and MSHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaSerratia Plymuthica HRO-C48MR-VP and MSHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaSerratia Plymuthica IC14MR-VP and MSHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaSerratia Proteamaculans B5aLB, MR-VP and MSHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaStenotrophomonas Rhizophilla Ep10-p69 MR-VP and LBHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
FungiCandida Shehataeyeast malt agarSPME, GC-MSyes
BacteriaAzospirillum Brasilense CdTSASPME-GCno
BacteriaBacillus Amyloliquefaciens IN937an/an/a
BacteriaBacillus Amyloliquefaciens UCMB5113M9AGC/MSNo
BacteriaBacillus Pumilus ES4TSASPME-GCno
BacteriaBacillus Spp.n/an/a
BacteriaBacillus Subtilis GB03n/an/a
BacteriaClostridium Sp.n/an/a
BacteriaCoagulase-negative StaphylococciMilkHS-SPME/GC-MS
BacteriaEnterobacter Spp.n/an/a
BacteriaEscherichia Coli DH5aTSASPME-GCno
BacteriaKlebsiella Sp.n/an/a
BacteriaLactobacillus Casei NCIB 8010n/an/a
BacteriaLactobacillus Plantarum NCIB 6376n/an/a
BacteriaLactococcus Lactis DSM 20202n/an/a
BacteriaLeuconostoc Cremoris DSM 20346n/an/a
BacteriaLeuconostoc Dextranicum DSM 20484n/an/a
BacteriaLeuconostoc Mesenteroides DSM 20343n/an/a
BacteriaLeuconostoc Oenos B66n/an/a
BacteriaLeuconostoc Oenos 19n/an/a
BacteriaLeuconostoc Oenos 30n/an/a
BacteriaLeuconostoc Oenos 36n/an/a
BacteriaLeuconostoc Oenos 37Dn/an/a
BacteriaLeuconostoc Oenos DSM 20255n/an/a
BacteriaLeuconostoc Oenos DSM 20257n/an/a
BacteriaLeuconostoc Paramesenteroides DSM 20288n/an/a
BacteriaPaenibacillus Polymyxa E681Tryptic soy agarSPME coupled with GC-MS
BacteriaPediococcus Damnosus DSM 20331n/an/a
BacteriaSerratia Sp.n/an/a
BacteriaStaphylococcus AureusMilkHS-SPME/GC-MS
BacteriaStaphylococcus Epidermidis DSM 3269brain heart infusion mediumPorapak / GC/MSno
BacteriaStaphylococcus Haemolyticus CCM 2729brain heart infusion mediumPorapak / GC/MSno
BacteriaStaphylococcus Saccharolyticus B5709brain heart infusion mediumPorapak / GC/MSno
BacteriaStaphylococcus Schleiferi DSMZ 4807brain heart infusion mediumPorapak / GC/MSno
BacteriaStaphylococcus Schleiferi H34brain heart infusion mediumPorapak / GC/MSno
BacteriaStaphylococcus Sp.n/an/a
BacteriaStaphylococcus Warneri CCM 2730brain heart infusion mediumPorapak / GC/MSno
BacteriaStreptococcus DysgalactiaeGCMS DSQno
BacteriaStreptococcus UberisMilkHS-SPME/GC-MS
BacteriaStreptomyces Spp.n/an/a
Fungi no
FungiBoletus Variegatusn/an/a
FungiSaccharomyces Cerevisiaesynthetic minimal mediumGC-MS, EIyes
FungiTrichoderma VirideMalt extract agar Headspace volatiles collected with colomn/TD-GC-MS
FungiVerticillium Longisporumpotato dextrose agar (PDA), Czapek Dox liquid cultureGC-MS / SPMEno


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
2941-EP2269975A2
2941-EP2269977A2
2941-EP2269986A1
2941-EP2269988A2
2941-EP2269989A1
2941-EP2269990A1
2941-EP2269992A1
2941-EP2269993A1
2941-EP2269994A1
2941-EP2269995A1
2941-EP2269997A2
2941-EP2269999A1
2941-EP2270000A1
2941-EP2270004A1
2941-EP2270006A1
2941-EP2270009A1
2941-EP2270010A1
2941-EP2270011A1
2941-EP2270012A1
2941-EP2270013A1
2941-EP2270014A1
2941-EP2270015A1
2941-EP2270016A1
2941-EP2270113A1
2941-EP2270114A1
2941-EP2272517A1
2941-EP2272537A2
2941-EP2272813A2
2941-EP2272817A1
2941-EP2272822A1
2941-EP2272825A2
2941-EP2272827A1
2941-EP2272830A1
2941-EP2272832A1
2941-EP2272835A1
2941-EP2272837A1
2941-EP2272839A1
2941-EP2272840A1
2941-EP2272843A1
2941-EP2272844A1
2941-EP2272845A2
2941-EP2272848A1
2941-EP2272849A1
2941-EP2272935A1
2941-EP2272972A1
2941-EP2272973A1
2941-EP2274983A1
2941-EP2275102A1
2941-EP2275105A1
2941-EP2275395A2
2941-EP2275401A1
2941-EP2275404A1
2941-EP2275407A1
2941-EP2275410A1
2941-EP2275411A2
2941-EP2275412A1
2941-EP2275413A1
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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
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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 namepropan-2-one
SMILESCC(=O)C
InchiInChI=1S/C3H6O/c1-3(2)4/h1-2H3
FormulaCH3COCH3
PubChem ID180
Molweight58.08
LogP0.11
Atoms10
Bonds9
H-bond Acceptor1
H-bond Donor0
Chemical ClassificationKetones

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
PressureReference
231 mm Hg at 25 deg CAlarie Y et al; Toxicol Appl Pharmacol 134: 92-99 (1995)
MS-Links
1D-NMR-Links

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaBacillus Megaterium USB2103lyses red blood cellsrhizosphere of bean plants, southern ItalyGiorgio et al., 2015
BacteriaSerratia Spp. B2675n/aBruce et al., 2004
BacteriaSerratia Spp. B675n/aBruce et al., 2004
FungiPhomopsis Sp.naendophyte of Odontoglossum sp.Singh et al., 2011
FungiSaccharomyces Cerevisiae Y1001n/aBruce et al., 2004
FungiTrichodema Pseudokoningiin/aWheatley et al., 1997
FungiTrichodema Viriden/aWheatley et al., 1997
FungiTuber Aestivumn/aAgricultural Centre of Castilla and León Community (Monasterio de la Santa Espina, Valladolid, Spain) and Navaleno (Soria, Spain).Diaz et al., 2003
FungiTuber Melanosporumn/aAgricultural Centre of Castilla and León Community (Monasterio de la Santa Espina, Valladolid, Spain) and Navaleno (Soria, Spain).Diaz et al., 2003
BacteriaAzospirillum Brasilense Cdpromotion of performance of Chlorella sorokiniana Shihculture collection DSMZ 1843Amavizca et al. 2017
BacteriaBacillus Amyloliquefaciens IN937an/aLee et al., 2012
BacteriaBacillus Subtilis GB03n/aLee et al., 2012
BacteriaEscherichia Colin/aBunge et al., 2008
BacteriaPaenibacillus Polymyxa E681n/aLee et al., 2012
BacteriaRalstonia SolanacearumnanaSpraker et al., 2014
BacteriaSaccharomonospora Rectivirgula DSM 43113nasoil Wilkins, 1996
BacteriaShigella Flexnerin/aBunge et al., 2008
BacteriaStreptomyces Diastatochromogenes ETH 18822n/aSchoeller et al., 2002
BacteriaStreptomyces Albidoflavus AMI 246n/aSchoeller et al., 2002
BacteriaStreptomyces Albus IFO 13014n/aSchoeller et al., 2002
BacteriaStreptomyces Albus Subsp. Pathocidicus IFO 13812n/aSchoeller et al., 2002
BacteriaStreptomyces Antibioticus CBS 659.68n/aSchoeller et al., 2002
BacteriaStreptomyces Antibioticus ETH 22014n/aSchoeller et al., 2002
BacteriaStreptomyces Aureofaciens ETH 28832n/aSchoeller et al., 2002
BacteriaStreptomyces Coelicolor DSM 40233n/aSchoeller et al., 2002
BacteriaStreptomyces Diastatochromogenes ETH 18822n/aSchoeller et al., 2002
BacteriaStreptomyces Diastatochromogenes IFO 13814n/aSchoeller et al., 2002
BacteriaStreptomyces Griseus ATCC 23345n/aSchoeller et al., 2002
BacteriaStreptomyces Griseus IFO 13849n/aSchoeller et al., 2002
BacteriaStreptomyces Hirsutus ATCC 19773n/aSchoeller et al., 2002
BacteriaStreptomyces Hirsutus ETH 1666n/aSchoeller et al., 2002
BacteriaStreptomyces Hygroscopicus ATCC 27438n/aSchoeller et al., 2002
BacteriaStreptomyces Hygroscopicus IFO 13255n/aSchoeller et al., 2002
BacteriaStreptomyces Murinus DSM 40091n/aSchoeller et al., 2002
BacteriaStreptomyces Murinus NRRL 8171n/aSchoeller et al., 2002
BacteriaStreptomyces Olivaceus ETH 6445n/aSchoeller et al., 2002
BacteriaStreptomyces Olivaceus ETH 7437n/aSchoeller et al., 2002
BacteriaStreptomyces Rishiriensis AMI 224n/aSchoeller et al., 2002
BacteriaStreptomyces Spp. AMI 240n/aSchoeller et al., 2002
BacteriaStreptomyces Spp. AMI 243n/aSchoeller et al., 2002
BacteriaStreptomyces Thermoviolaceus CBS 111.62n/aSchoeller et al., 2002
BacteriaThermoactinomyces Vulgaris DSM 43016nasoilWilkins, 1996
FungiCandida Tropicalisn/aBunge et al., 2008
FungiCeratocystis Sp.Inhibited growth of fungi. Has no effect on bacteria.Stotzky and Schenk, 1976
FungiPenicillium Commune Pittnain dry-cured meat products, cheeseSunesson et al., 1995
FungiPhialophora Fastigiata ConantnanaSunesson et al., 1995
FungiThielaviopsis BasicolaInhibited growth of fungi. Has no effect on bacteria.Stotzky and Schenk, 1976
FungiTrichoderma Sp.Inhibited growth of fungi. Has no effect on bacteria.Stotzky and Schenk, 1976
FungiTrichoderma VirideHung et al., 2013
FungiTuber SimoneaNoneNone March et al., 2006
FungiTuber Aestivumn/aAyme Truffe of Grignan, 26230 France March et al., 2006
FungiTuber Brumalen/aAyme Truffe of Grignan, 26230 France March et al., 2006
FungiTuber Melanosporumn/aAyme Truffe of Grignan, 26230 France March et al., 2006
FungiTuber Mesentericumn/aAyme Truffe of Grignan, 26230 France March et al., 2006
FungiTuber MiesentericumNoneNone March et al., 2006
FungiTuber Rufumn/aAyme Truffe of Grignan, 26230 France March et al., 2006
FungiTuber Simonean/aAyme Truffe of Grignan, 26230 France March et al., 2006
Fungi Penicillium CamembertiLarsen 2002
Fungi Penicillium CaseifulvumLarsen 2002
BacteriaBacillus Simplexn/aGu et al., 2007
BacteriaBacillus Subtilisn/aGu et al., 2007
BacteriaBacillus Weihenstephanensisn/aGu et al., 2007
BacteriaMicrobacterium Oxydansn/aGu et al., 2007
BacteriaSerratia Marcescensn/aGu et al., 2007
BacteriaStaphylococcus Sciurinafrom the gut flora of pea aphid Acyrthosiphon pisum honeydewLeroy et al., 2011
BacteriaStenotrophomonas Maltophilian/aGu et al., 2007
BacteriaStreptomyces Lateritiusn/aGu et al., 2007
FungiTuber Aestivumn/aFortywoodland of the Basilicata regionMauriello et al., 2004
FungiTuber Oligospermumn/aFortywoodland of the Basilicata regionMauriello et al., 2004
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaBacillus Megaterium USB2103King's B AgarSPME-GC/MSNo
BacteriaSerratia Spp. B2675n/an/a
BacteriaSerratia Spp. B675n/an/a
FungiPhomopsis Sp.PDA mediumSPME-GC/MSYes
FungiSaccharomyces Cerevisiae Y1001n/an/a
FungiTrichodema PseudokoningiiMalt extract/Low mediumGC/MS
FungiTrichodema VirideMalt extract/Low mediumGC/MS
FungiTuber Aestivumn/aHeadspace solid-phase microextraction (HS-SPME) combined with GC-MS
FungiTuber Melanosporumn/aHeadspace solid-phase microextraction (HS-SPME) combined with GC-MS
BacteriaAzospirillum Brasilense CdTSASPME-GCno
BacteriaBacillus Amyloliquefaciens IN937aTryptic soy agarSPME coupled with GC-MS
BacteriaBacillus Subtilis GB03Tryptic soy agarSPME coupled with GC-MS
BacteriaEscherichia Colin/an/a
BacteriaPaenibacillus Polymyxa E681Tryptic soy agarSPME coupled with GC-MS
BacteriaRalstonia SolanacearumCasamino Acid Peptone Glucose agarSPME-GC/MSNo
BacteriaSaccharomonospora Rectivirgula DSM 43113Nutrient agar CM3GC/MS
BacteriaShigella Flexnerin/an/a
BacteriaStreptomyces Diastatochromogenes ETH 18822Emmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MS
BacteriaStreptomyces Albidoflavus AMI 246n/an/a
BacteriaStreptomyces Albus IFO 13014n/an/a
BacteriaStreptomyces Albus Subsp. Pathocidicus IFO 13812n/an/a
BacteriaStreptomyces Antibioticus CBS 659.68n/an/a
BacteriaStreptomyces Antibioticus ETH 22014n/an/a
BacteriaStreptomyces Aureofaciens ETH 28832n/an/a
BacteriaStreptomyces Coelicolor DSM 40233n/an/a
BacteriaStreptomyces Diastatochromogenes ETH 18822n/an/a
BacteriaStreptomyces Diastatochromogenes IFO 13814n/an/a
BacteriaStreptomyces Griseus ATCC 23345n/an/a
BacteriaStreptomyces Griseus IFO 13849n/an/a
BacteriaStreptomyces Hirsutus ATCC 19773n/an/a
BacteriaStreptomyces Hirsutus ETH 1666n/an/a
BacteriaStreptomyces Hygroscopicus ATCC 27438n/an/a
BacteriaStreptomyces Hygroscopicus IFO 13255n/an/a
BacteriaStreptomyces Murinus DSM 40091n/an/a
BacteriaStreptomyces Murinus NRRL 8171n/an/a
BacteriaStreptomyces Olivaceus ETH 6445n/an/a
BacteriaStreptomyces Olivaceus ETH 7437n/an/a
BacteriaStreptomyces Rishiriensis AMI 224n/an/a
BacteriaStreptomyces Spp. AMI 240n/an/a
BacteriaStreptomyces Spp. AMI 243n/an/a
BacteriaStreptomyces Thermoviolaceus CBS 111.62n/an/a
BacteriaThermoactinomyces Vulgaris DSM 43016Nutrient agar CM3GC/MS
FungiCandida Tropicalisn/an/a
FungiCeratocystis Sp.n/an/a
FungiPenicillium Commune PittDG18GC/MS
FungiPhialophora Fastigiata ConantDG18GC/MS
FungiThielaviopsis Basicolan/an/a
FungiTrichoderma Sp.n/an/a
FungiTrichoderma VirideMalt extract agar Headspace volatiles collected with colomn/TD-GC-MSYes
FungiTuber SimoneaNonePressure balanced head-space sampling and GC/TOF-MSNo
FungiTuber Aestivumn/aPressure balanced head-space sampling and GC/TOF-MS
FungiTuber Brumalen/aPressure balanced head-space sampling and GC/TOF-MS
FungiTuber Melanosporumn/aPressure balanced head-space sampling and GC/TOF-MS
FungiTuber Mesentericumn/aPressure balanced head-space sampling and GC/TOF-MS
FungiTuber MiesentericumNonePressure balanced head-space sampling and GC/TOF-MSNo
FungiTuber Rufumn/aPressure balanced head-space sampling and GC/TOF-MS
FungiTuber Simonean/aPressure balanced head-space sampling and GC/TOF-MS
Fungi Penicillium Camembertino
Fungi Penicillium Caseifulvumno
BacteriaBacillus Simplexn/an/a
BacteriaBacillus Subtilisn/an/a
BacteriaBacillus Weihenstephanensisn/an/a
BacteriaMicrobacterium Oxydansn/an/a
BacteriaSerratia Marcescensn/an/a
BacteriaStaphylococcus Sciuri863 liquid mediumSPME-GC/MS
BacteriaStenotrophomonas Maltophilian/an/a
BacteriaStreptomyces Lateritiusn/an/a
FungiTuber Aestivumn/amicroextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)
FungiTuber Oligospermumn/amicroextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)


Benzaldehyde

Mass-Spectra

Compound Details

Synonymous names
Phenylmethanal benzenecarboxaldehyde
Benzenecarboxaldehyde
Phenylformaldehyde
PENTADEOTERO BENZALDEHYDE
benzanoaldehyde
Benzenecarbonal
Benzenemethylal
Benzylaldehyde
Phenylmethanal
Phenylmethanone
benzaidehyde
benzaldehvde
benzaldehyde
Benzene carboxaldehyde
Benzyaldehyde
Benzadehyde
benzaldehyd
Benzaldehyde Natural
Benzene carbaldehyde
Natural Benzaldehyde
Aromatic aldehyde
HUMNYLRZRPPJDN-UHFFFAOYSA-N
Benzaldehyde FFC
Benzaldehyde, analytical standard
Benzene methylal
Benzoic aldehyde
Benzoyl hydride
Almond artificial essential oil
Bitter almond
Artificial almond oil
Benzoic acid aldehyde
HBX
Artificial bitter almond oil
bitter almond oil synthetic
(phenyl)methanone
Artificial essential oil of almond
Ben zoyl hydride
Artifical essential oil of almond
2vj1
Benzaldehyde (natural)
Ethereal oil of bitter almonds
SCHEMBL573
Synthetic oil of bitter almond
AC1L18SM
AC1Q6PV7
Benzaldehyde [USAN]
Benzaldehyde, pharmaceutical secondary standard; traceable to USP
Bitter almond oil, synthetic
Oil Of bitter almond
Benzaldehyde (NF)
NATURAL RSTD CASSIA OIL DIST FLAVOR
WLN: VHR
Benzaldehyde, European Pharmacopoeia (EP) Reference Standard
KSC176K2J
ACMC-1C91Y
CHEMBL15972
LS-27
NSC7917
UN1990
B2379
BDBM60953
Benzaldehyde, United States Pharmacopeia (USP) Reference Standard
CTK0H6524
HMDB06115
HSDB 388
nchembio814-comp15
TA269SD04T
BIDD:ER0249
LS41490
RP18863
C00193
C00261
CCRIS 2376
D02314
DSSTox_CID_134
UNII-TA269SD04T
ZINC895145
AK109012
BENZALDEHYDE REACTION PRODUCTS WITH HEPTANAL DISTN. LIGHTS
DTXSID8039241
NA 1989
NSC 7917
NSC-7917
OR035988
OR192667
PL039416
A800226
Benzaldehyde, AR, >=99%
Benzaldehyde, LR, >=99%
CHEBI:17169
NCI-C56133
AJ-24149
ANW-14310
DSSTox_GSID_39241
SC-19173
BDBM50139371
Caswell No. 076
DSSTox_RID_79432
MFCD00003299
MFCD00801585
ZINC00895145
AI3-09931
Benzaldehyde, purified by redistillation, >=99.5%
Benzaldehyde, ReagentPlus(R), >=99%
DB-023673
KB-250682
LT00939687
ST24030100
TC-103055
AKOS000119172
EPA Pesticide Chemical Code 008601
ghl.PD_Mitscher_leg0.170
I01-1667
I14-7330
FEMA No. 2127
FT-0622622
Benzaldehyde, >=98%, FG, FCC
Benzaldehyde, for synthesis, 95.0%
I14-90980
Benzaldehyde, 98% 250g
Benzaldehyde, SAJ special grade, >=98.0%
Tox21_113069
Tox21_113244
Tox21_200634
100-52-7
Ald3-H_000012
Benzaldehyde, Vetec(TM) reagent grade, 98%
F1294-0144
MCULE-7744113682
NCGC00091819-01
NCGC00091819-02
NCGC00091819-03
NCGC00258188-01
Benzaldehyde, natural, >=98%, FCC, FG
CAS-100-52-7
EINECS 202-860-4
55279-75-9
SR-01000944375
Ald3.1-H_000160
Ald3.1-H_000479
Ald3.1-H_000798
5044-EP2269979A1
5044-EP2269990A1
5044-EP2272491A1
5044-EP2272827A1
5044-EP2275404A1
5044-EP2275411A2
5044-EP2275412A1
5044-EP2277858A1
5044-EP2277865A1
5044-EP2277878A1
5044-EP2281818A1
5044-EP2284157A1
5044-EP2286915A2
5044-EP2287152A2
5044-EP2287159A1
5044-EP2289868A1
5044-EP2292593A2
5044-EP2295402A2
5044-EP2295410A1
5044-EP2295441A2
5044-EP2298767A1
5044-EP2298776A1
5044-EP2301534A1
5044-EP2301536A1
5044-EP2301538A1
5044-EP2305625A1
5044-EP2305629A1
5044-EP2305662A1
5044-EP2305679A1
5044-EP2305687A1
5044-EP2305769A2
5044-EP2305808A1
5044-EP2308562A2
5044-EP2311451A1
5044-EP2311455A1
5044-EP2311806A2
5044-EP2311840A1
5044-EP2314295A1
5044-EP2314586A1
5044-EP2314587A1
5044-EP2314593A1
5044-EP2316450A1
5044-EP2316832A1
5044-EP2316833A1
5044-EP2371831A1
5044-EP2374454A1
5044-EP2374783A1
5044-EP2377841A1
5044-EP2380871A1
Benzaldehyde, purum, >=98.0% (GC)
53585-EP2305651A1
53585-EP2308854A1
Benzaldehyde [UN1990] [Class 9]
Benzaldehyde on polystyrene, 0.8-1.5 mmol/g
125826-EP2287158A1
125826-EP2295422A2
SR-01000944375-1
Benzaldehyde [UN1990] [Class 9]
Benzaldehyde, puriss. p.a., >=99.0% (GC)
InChI=1/C7H6O/c8-6-7-4-2-1-3-5-7/h1-6
IUPAC namebenzaldehyde
SMILESC1=CC=C(C=C1)C=O
InchiInChI=1S/C7H6O/c8-6-7-4-2-1-3-5-7/h1-6H
FormulaC7H6O
PubChem ID240
Molweight106.124
LogP1.69
Atoms14
Bonds14
H-bond Acceptor1
H-bond Donor0
Chemical ClassificationBenzenoids Aldehydes Aldehyde

mVOC Specific Details

Volatilization
The Henry's Law constant for benzaldehyde is 2.67X10-5 atm-cu m/mole(1). This Henry's Law constant indicates that benzaldehyde 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 1.5 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 14 days(SRC). Benzaldehyde's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). Benzaldehyde is expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 1.27 mm Hg at 25 deg C(3).
Literature: (1) Betterton EA, Hoffmann MR; Environ Sci Technol 22: 1415-8 (1988) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (3) Ambrose D et al; J Chem Therm 7: 1143-57 (1975)
Soil Adsorption
Using a structure estimation method based on molecular connectivity indices(1), the Koc of benzaldehyde can be estimated to be 11(SRC). According to a classification scheme(2), this estimated Koc value suggests that benzaldehyde 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 30, 2016: http://www2.epa.gov/tsca-screening-tools/ (2) Swann RL et al; Res Rev 85: 17-28 (1983)
Vapor Pressure
PressureReference
1.27 mm Hg at 25 deg CAmbrose D et al; J Chem Therm 7: 1143-57 (1975)
MS-Links
1D-NMR-Links

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaAlcaligenes FaecalisInhibition of Mycelium growth of Paecilomyces lilacinus and Pochonia chlamydosporia.Zou et al., 2007
BacteriaArthrobacter NitroguajacoliusInhibition of Mycelium growth of Paecilomyces lilacinus and Pochonia chlamydosporia.Zou et al., 2007
BacteriaBacillus Amyloliquefaciens FZB42Agriculture University of Nanjing, ChinaTahir et al. 2026
BacteriaBacillus SimplexReduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.Gu et al., 2007
BacteriaBacillus Spp.Inhibition of Mycelium growth of Paecilomyces lilacinus and Pochonia chlamydosporia.Zou et al., 2007
BacteriaBacillus SubtilisReduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.Gu et al., 2007
BacteriaBacillus Subtilis GB03n/aLee et al., 2012
BacteriaBacillus WeihenstephanensisReduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.Gu et al., 2007
BacteriaBranhamella CatatthalisclinicPreti., 2009
BacteriaBurkholderia Sp. AD24bacterial interationsrhizosphere and bulk soil of Carex arenariaTyc et al. 2017
BacteriaChryseobacterium Sp. AD48nanaTyc et al., 2015
BacteriaCitrobacter FreundiiAmerican Type Culture Collection Robacker and Bartelt 1997
BacteriaCytophaga-Flavobacterium-Bacteroides Group Strain ARK 10223n/aDickschat et al., 2005_3
BacteriaCytophaga-Flavobacterium-Bacteroides Group Strain ARK 10063n/aDickschat et al., 2005_3
BacteriaCytophaga-Flavobacterium-Bacteroides Group Strain ARK 10146n/aDickschat et al., 2005_3
BacteriaCytophaga-Flavobacterium-Bacteroides Group Strain ARK 10267n/aDickschat et al., 2005_3
BacteriaHaemophilus InfluenzaeclinicPreti., 2009
BacteriaJanthinobacterium Sp. AD80nanaTyc et al., 2015
BacteriaKlebsiella PneumoniaeAmerican Type Culture Collection Robacker and Bartelt 1997
BacteriaLactobacillus Casei NCIB 8010n/aTracey and Britz, 1989
BacteriaLactobacillus Helveticus CIRM449nayoghurtPogačić et al., 2016
BacteriaLactobacillus Plantarumn/aSchulz and Dickschat, 2007
BacteriaLactobacillus Plantarum NCIB 6376n/aTracey and Britz, 1989
BacteriaLactococcus Lactis DSM 20202n/aTracey and Britz, 1989
BacteriaLeuconostoc Cremoris DSM 20346n/aTracey and Britz, 1989
BacteriaLeuconostoc Dextranicum DSM 20484n/aTracey and Britz, 1989
BacteriaLeuconostoc Mesenteroides DSM 20343n/aTracey and Britz, 1989
BacteriaLeuconostoc Oenos B66n/aTracey and Britz, 1989
BacteriaLeuconostoc Oenos 19n/aTracey and Britz, 1989
BacteriaLeuconostoc Oenos 30n/aTracey and Britz, 1989
BacteriaLeuconostoc Oenos 36n/aTracey and Britz, 1989
BacteriaLeuconostoc Oenos 37Dn/aTracey and Britz, 1989
BacteriaLeuconostoc Oenos 7Bn/aTracey and Britz, 1989
BacteriaLeuconostoc Oenos DSM 20252n/aTracey and Britz, 1989
BacteriaLeuconostoc Oenos DSM 20255n/aTracey and Britz, 1989
BacteriaLeuconostoc Oenos DSM 20257n/aTracey and Britz, 1989
BacteriaLeuconostoc Oenos Lc5xn/aTracey and Britz, 1989
BacteriaLeuconostoc Paramesenteroides DSM 20288n/aTracey and Britz, 1989
BacteriaLysobacter GummosusInhibition of Mycelium growth of Paecilomyces lilacinus and Pochonia chlamydosporia.Zou et al., 2007
BacteriaMicrobacterium OxydansReduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.Gu et al., 2007
BacteriaOctadecabacter Sp. ARK10255bn/aDickschat et al., 2005_3
BacteriaPaenibacillus Sp. AD87bacterial interationsrhizosphere and bulk soil of Carex arenariaTyc et al. 2017
BacteriaPediococcus Damnosus DSM 20331n/aTracey and Britz, 1989
BacteriaPedobacter Sp. V48narhizosphere of Marram grass in sandy dune soils, NetherlandsGarbeva et al., 2014
BacteriaPseudomonas Aurantiacan/aFernando et al., 2005
BacteriaPseudomonas Chlororaphisn/aFernando et al., 2005
BacteriaPseudomonas Corrugaten/aFernando et al., 2005
BacteriaPseudomonas Fluorescensn/aFernando et al., 2005
BacteriaPseudomonas Fluorescens ALEB7Bpromotes volatile oil accumulation, activating plant defensefrom geo-authentic Atractylodes lanceaZhou et al., 2016
BacteriaPseudomonas Jessenii S34naphyllosphere of field-grown potato plantsHunziker et al., 2015
BacteriaPseudomonas Syringae S22naphyllosphere of field-grown potato plantsHunziker et al., 2015
BacteriaPseudomonas Veronii R02narhizosphere of field-grown potato plantsHunziker et al., 2015
BacteriaSerratia MarcescensReduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.Gu et al., 2007
BacteriaSporosarcina GinsengisoliInhibition of Mycelium growth of Paecilomyces lilacinus and Pochonia chlamydosporia.Zou et al., 2007
BacteriaStenotrophomonas MaltophiliaInhibition of Mycelium growth of Paecilomyces lilacinus and Pochonia chlamydosporia.Zou et al., 2007
BacteriaStigmatella Aurantiaca DW4/3-1n/aDickschat et al., 2005_5
BacteriaStigmatella Aurantiaca Sg A15n/aDickschat et al., 2005_5
BacteriaStreptococcus PneumoniaeclinicPreti., 2009
BacteriaStreptomyces LateritiusReduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.Gu et al., 2007
BacteriaThermomonospora Fusca DSM 43792nasoilWilkins, 1996
BacteriaTsukamurella Sp. AD106nanaTyc et al., 2015
FungiAscocoryne Sarcoides NRRL 50072n/aMallette et al. 2012
Fungi Aspergillus Sp.Takeuchi et al. 2013
FungiBjerkandera Adusta CBS 595.78n/aLapadatescu et al., 2000
Fungi Botrytis Sp.Kikuchi et al 1983
Fungi Fomes FomentariusFäldt et al. 1999
FungiFomitopsis PinicolanaGermanyRösecke et al., 2000
FungiFusarium Graminearum 15AcDONn/aBusko et al., 2014
FungiFusarium Graminearum 15AcDON 1001tan/aBusko et al., 2014
FungiFusarium Graminearum 15AcDON ZFR 29n/aBusko et al., 2014
FungiFusarium Graminearum 15AcDON_4n/aBusko et al., 2014
FungiFusarium Graminearum 15AcDON_5n/aBusko et al., 2014
FungiFusarium Graminearum 15AcDON_6n/aBusko et al., 2014
FungiFusarium Graminearum 15AcDON_7n/aBusko et al., 2014
FungiFusarium Graminearum 15AcDON_8n/aBusko et al., 2014
FungiFusarium Graminearum 15AcDON_9n/aBusko et al., 2014
FungiFusarium Graminearum 3AcDON 1002tn/aBusko et al., 2014
FungiFusarium Graminearum 3AcDON 11791n/aBusko et al., 2014
FungiFusarium Graminearum 3AcDON 1509n/aBusko et al., 2014
FungiFusarium Graminearum 3AcDON 8046n/aBusko et al., 2014
FungiFusarium Graminearum 3AcDON NRRL38369n/aBusko et al., 2014
FungiFusarium Graminearum 3AcDON NRRL6394n/aBusko et al., 2014
FungiFusarium Graminearum 3AcDON ZFR 15n/aBusko et al., 2014
FungiFusarium Graminearum 3AcDON ZFR 37n/aBusko et al., 2014
FungiFusarium Graminearum 3AcDON ZFR 51n/aBusko et al., 2014
FungiFusarium Graminearum NIVn/aBusko et al., 2014
FungiFusarium Graminearum NIV ZFR 119n/aBusko et al., 2014
FungiFusarium Graminearum NIV ZFR 23n/aBusko et al., 2014
FungiFusarium Graminearum NIV ZFR 48n/aBusko et al., 2014
FungiFusarium Graminearum NIV_5n/aBusko et al., 2014
FungiFusarium Graminearum NIV_6n/aBusko et al., 2014
FungiFusarium Graminearum NIV_7n/aBusko et al., 2014
FungiFusarium Graminearum NIV_8n/aBusko et al., 2014
FungiFusarium Graminearum NIV_9n/aBusko et al., 2014
Fungi Fusarium Spp.Takeuchi et al. 2013
Fungi Penicillium SppTakeuchi et al. 2012
FungiPiptoporus BetulinusnaSachsenwald near HamburgRösecke et al., 2000
FungiPleurotus CystidiosusnanaUsami et al., 2014
FungiPleurotus Eryngii Var. TuoliensisnanaUsami et al., 2014
Fungi Pleurotus OstreatusBeltran-Garcia et al. 1997
FungiPolyporus Tuberaster K2606Kawabe et al. 1994
FungiTrametes Suaveolensnanear Zachersmühle, Göppingen, southern GermanyRösecke et al., 2000
FungiTrichodema Viriden/aWheatley et al., 1997
FungiTuber Aestivumn/aFortywoodland of the Basilicata regionMauriello et al., 2004
FungiTuber Excavatumn/aFortywoodland of the Basilicata regionMauriello et al., 2004
FungiTuber Melanosporumn/aAgricultural Centre of Castilla and León Community (Monasterio de la Santa Espina, Valladolid, Spain) and Navaleno (Soria, Spain).Diaz et al., 2003
FungiTuber Mesentericumn/aFortywoodland of the Basilicata regionMauriello et al., 2004
FungiTuber Panniferumn/aFortywoodland of the Basilicata regionMauriello et al., 2004
Fungi Bjerkandera AdustaSpinnler at al. 1997
FungiTuber IndicumNoneT. melanosporum, T. borchii were collected from northern Italy (Piedmont) and T. indicum from Yunnan and Sichuan Provinces (China). Splivallo et al., 2007b
FungiTuber MelanosporumNoneT. melanosporum, T. borchii were collected from northern Italy (Piedmont) and T. indicum from Yunnan and Sichuan Provinces (China). Splivallo et al., 2007b
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaAlcaligenes Faecalisn/an/a
BacteriaArthrobacter Nitroguajacoliusn/an/a
BacteriaBacillus Amyloliquefaciens FZB42LBSPME-GC-MSno
BacteriaBacillus Simplexn/an/a
BacteriaBacillus Spp.n/an/a
BacteriaBacillus Subtilisn/an/a
BacteriaBacillus Subtilis GB03Tryptic soy agarSPME coupled with GC-MS
BacteriaBacillus Weihenstephanensisn/an/a
BacteriaBranhamella CatatthalisBlood agar/chocolate blood agaHS-SPME/GC-MS no
BacteriaBurkholderia Sp. AD24TSBAGC-Q-TOFno
BacteriaChryseobacterium Sp. AD48Tryptic soy broth agarGC/MS-Q-TOFNo
BacteriaCitrobacter Freundiitryptic soy broth SPME, GC-MSyes
BacteriaCytophaga-Flavobacterium-Bacteroides Group Strain ARK 10223n/an/a
BacteriaCytophaga-Flavobacterium-Bacteroides Group Strain ARK 10063n/an/a
BacteriaCytophaga-Flavobacterium-Bacteroides Group Strain ARK 10146n/an/a
BacteriaCytophaga-Flavobacterium-Bacteroides Group Strain ARK 10267n/an/a
BacteriaHaemophilus InfluenzaeBlood agar/chocolate blood agaHS-SPME/GC-MS no
BacteriaJanthinobacterium Sp. AD80Tryptic soy broth agarGC/MS-Q-TOFNo
BacteriaKlebsiella Pneumoniaetryptic soy broth SPME, GC-MSyes
BacteriaLactobacillus Casei NCIB 8010n/an/a
BacteriaLactobacillus Helveticus CIRM449curd-based broth mediumGC/MSYes
BacteriaLactobacillus Plantarumn/an/a
BacteriaLactobacillus Plantarum NCIB 6376n/an/a
BacteriaLactococcus Lactis DSM 20202n/an/a
BacteriaLeuconostoc Cremoris DSM 20346n/an/a
BacteriaLeuconostoc Dextranicum DSM 20484n/an/a
BacteriaLeuconostoc Mesenteroides DSM 20343n/an/a
BacteriaLeuconostoc Oenos B66n/an/a
BacteriaLeuconostoc Oenos 19n/an/a
BacteriaLeuconostoc Oenos 30n/an/a
BacteriaLeuconostoc Oenos 36n/an/a
BacteriaLeuconostoc Oenos 37Dn/an/a
BacteriaLeuconostoc Oenos 7Bn/an/a
BacteriaLeuconostoc Oenos DSM 20252n/an/a
BacteriaLeuconostoc Oenos DSM 20255n/an/a
BacteriaLeuconostoc Oenos DSM 20257n/an/a
BacteriaLeuconostoc Oenos Lc5xn/an/a
BacteriaLeuconostoc Paramesenteroides DSM 20288n/an/a
BacteriaLysobacter Gummosusn/an/a
BacteriaMicrobacterium Oxydansn/an/a
BacteriaOctadecabacter Sp. ARK10255bn/an/a
BacteriaPaenibacillus Sp. AD87TSBAGC-Q-TOFno
BacteriaPediococcus Damnosus DSM 20331n/an/a
BacteriaPedobacter Sp. V48sand containing artificial root exudatesGC/MSNo
BacteriaPseudomonas Aurantiacan/an/a
BacteriaPseudomonas Chlororaphisn/an/a
BacteriaPseudomonas Corrugaten/an/a
BacteriaPseudomonas Fluorescensn/an/a
BacteriaPseudomonas Fluorescens ALEB7BMS rooting agarGC/MS + comparison to NIST
BacteriaPseudomonas Jessenii S34LB mediumGC/MSYes
BacteriaPseudomonas Syringae S22LB mediumGC/MSYes
BacteriaPseudomonas Veronii R02LB mediumGC/MSYes
BacteriaSerratia Marcescensn/an/a
BacteriaSporosarcina Ginsengisolin/an/a
BacteriaStenotrophomonas Maltophilian/an/a
BacteriaStigmatella Aurantiaca DW4/3-1n/an/a
BacteriaStigmatella Aurantiaca Sg A15n/an/a
BacteriaStreptococcus PneumoniaeBlood agar/chocolate blood agaHS-SPME/GC-MS no
BacteriaStreptomyces Lateritiusn/an/a
BacteriaThermomonospora Fusca DSM 43792Nutrient agar CM3GC/MS
BacteriaTsukamurella Sp. AD106Tryptic soy broth agarGC/MS-Q-TOFNo
FungiAscocoryne Sarcoides NRRL 50072Minimal mediumPTR-MS and SPME GC-MS
Fungi Aspergillus Sp.no
FungiBjerkandera Adusta CBS 595.78Minimal media plus glucose and L-phenylalanineExtraction with dichloromethane or with ethyl acetate, concentration under N2 stream /GC-MS.
Fungi Botrytis Sp.no
Fungi Fomes Fomentariusno
FungiFomitopsis PinicolanaGC/MSNo
FungiFusarium Graminearum 15AcDONyeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 15AcDON 1001tayeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 15AcDON ZFR 29yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 15AcDON_4yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 15AcDON_5yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 15AcDON_6yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 15AcDON_7yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 15AcDON_8yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 15AcDON_9yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 3AcDON 1002tyeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 3AcDON 11791yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 3AcDON 1509yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 3AcDON 8046yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 3AcDON NRRL38369yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 3AcDON NRRL6394yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 3AcDON ZFR 15yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 3AcDON ZFR 37yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 3AcDON ZFR 51yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum NIVyeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum NIV ZFR 119yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum NIV ZFR 23yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum NIV ZFR 48yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum NIV_5yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum NIV_6yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum NIV_7yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum NIV_8yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum NIV_9yeast extract sucrose agarSPME/GC-MS
Fungi Fusarium Spp.no
Fungi Penicillium Sppno
FungiPiptoporus BetulinusnaGC/MSNo
FungiPleurotus CystidiosusnaGC/MS, GC-O, AEDANo
FungiPleurotus Eryngii Var. TuoliensisnaGC/MS, GC-O, AEDANo
Fungi Pleurotus Ostreatusno
FungiPolyporus Tuberaster K2606PGYGC-MSno
FungiTrametes SuaveolensnaGC/MSNo
FungiTrichodema VirideMalt extractGC/MS
FungiTuber Aestivumn/amicroextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)
FungiTuber Excavatumn/amicroextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)
FungiTuber Melanosporumn/an/a
FungiTuber Mesentericumn/amicroextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)
FungiTuber Panniferumn/amicroextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)
Fungi Bjerkandera Adustano
FungiTuber IndicumNoneNoneYes
FungiTuber MelanosporumNoneNoneYes


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 namebutane-2,3-diol
SMILESCC(C(C)O)O
InchiInChI=1S/C4H10O2/c1-3(5)4(2)6/h3-6H,1-2H3
FormulaC4H10O2
PubChem ID262
Molweight90.122
LogP-0.38
Atoms16
Bonds15
H-bond Acceptor2
H-bond Donor2
Chemical ClassificationAlcohols

mVOC Specific Details

Boiling Point
DegreeReference
182 deg C at 1 atmRiddick, 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
PressureReference
0.243 mm Hg at 25 deg CNIST; 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
1D-NMR-Links

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaBacillus Amyloliquefaciens IN937aInduce growth promotion (leaf surface area), systemic resistance (ISR) and regulate auxin homeostasis in Arabidopsis thaliana.Ryu et al., 2003
BacteriaBacillus Subtilis GB03Induce growth promotion (leaf surface area), systemic resistance (ISR) and regulate auxin homeostasis in Arabidopsis thaliana.Ryu et al., 2003
BacteriaAzospirillum Brasilense Cdpromotion of performance of Chlorella sorokiniana Shihculture collection DSMZ 1843Amavizca et al. 2017
BacteriaBacillus Amyloliquefaciens IN937an/aLee et al., 2012
BacteriaBacillus Pumilus ES4promotion of performance of Chlorella sorokiniana ShihAmavizca et al. 2017
BacteriaBacillus Subtilis 168triggers induced systemic resistance (ISR) in ArabidopsisnaRyu et al., 2004
BacteriaBacillus Subtilis GB03n/aLee et al., 2012
BacteriaBurkholderia Thailandensis LMG 20219n/aBlom et al., 2011
BacteriaChromobacterium Violaceum CV0n/aBlom et al., 2011
BacteriaClostridium Sp.n/aStotzky and Schenk, 1976
BacteriaEscherichia Coli DH5apromotion of performance of Chlorella sorokiniana ShihAmavizca et al. 2017
BacteriaPaenibacillus Polymyxa E681n/aLee et al., 2012
BacteriaSerratia Proteamaculans B5an/aBlom et al., 2011
BacteriaStaphylococcus Saccharolyticus B5709clinical isolateLemfack et al. 2016
BacteriaStaphylococcus Warneri CCM 2730clinical isolate,human skinLemfack et al. 2016
BacteriaStenotrophomonas Rhizophilla Ep10-p69n/aBlom et al., 2011
FungiSaccharomyces Cerevisiaegrape vineBecher et al. 2012
FungiTuber Aestivumn/aFortywoodland of the Basilicata regionMauriello et al., 2004
FungiTuber Borchiin/aSplivallo et al., 2007
FungiTuber Melanosporumn/aSplivallo et al., 2007
FungiTuber Mesentericumn/aFortywoodland of the Basilicata regionMauriello et al., 2004
Fungi TuberSplivllo et al. 2007
BacteriaStreptomyces Spp.n/aSchulz and Dickschat, 2007
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaBacillus Amyloliquefaciens IN937an/an/a
BacteriaBacillus Subtilis GB03n/an/a
BacteriaAzospirillum Brasilense CdTSASPME-GCno
BacteriaBacillus Amyloliquefaciens IN937aTryptic soy agarSPME coupled with GC-MS
BacteriaBacillus Pumilus ES4TSASPME-GCno
BacteriaBacillus Subtilis 168Murashige and Skoog mediumcapillary GC;GC/MSYes
BacteriaBacillus Subtilis GB03Tryptic soy agarSPME coupled with GC-MS
BacteriaBurkholderia Thailandensis LMG 20219AngleHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaChromobacterium Violaceum CV0MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaClostridium Sp.n/an/a
BacteriaEscherichia Coli DH5aTSASPME-GCno
BacteriaPaenibacillus Polymyxa E681Tryptic soy agarSPME coupled with GC-MS
BacteriaSerratia Proteamaculans B5aMR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaStaphylococcus Saccharolyticus B5709brain heart infusion mediumPorapak / GC/MSno
BacteriaStaphylococcus Warneri CCM 2730brain heart infusion mediumPorapak / GC/MSno
BacteriaStenotrophomonas Rhizophilla Ep10-p69MS Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
FungiSaccharomyces Cerevisiaesynthetic minimal mediumGC-MS, EIyes
FungiTuber Aestivumn/amicroextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)
FungiTuber Borchiin/an/a
FungiTuber Melanosporumn/an/a
FungiTuber Mesentericumn/amicroextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)
Fungi Tuberno
BacteriaStreptomyces Spp.n/an/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 namebutan-1-ol
SMILESCCCCO
InchiInChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3
FormulaCH3CH2CH2CH2OH
PubChem ID263
Molweight74.123
LogP0.81
Atoms15
Bonds14
H-bond Acceptor1
H-bond Donor1
Chemical ClassificationAlcohols

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
PressureReference
7.0 mm Hg at 25 deg CDaubert, 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
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaBacillus Amyloliquefaciens IN937an/aLee et al., 2012
BacteriaBacillus Pumilus 43P2BRLobaria pulmonaria lichen thalli, AustriaCernava et al. 2015
BacteriaBacillus Subtilis GB03n/aLee et al., 2012
BacteriaEscherichia Colin/aBunge et al., 2008
BacteriaKlebsiella Pneumoniae ATCC 13883Rees et al. 2017
BacteriaLeuconostoc Citreum CIRM1455nagoat cheese wheyPogačić et al., 2016
BacteriaPaenibacillus Polymyxa E681n/aLee et al., 2012
BacteriaPaenibacillus Polymyxa Sb3-1collection TU GrazRybakova et al. 2017
BacteriaRalstonia SolanacearumnanaSpraker et al., 2014
BacteriaSalmonella Enterican/aBunge et al., 2008
BacteriaShigella Flexnerin/aBunge et al., 2008
BacteriaStaphylococcus EpidermidisDSMZVerhulst et al. 2010
BacteriaStreptomyces Albidoflavus AMI 246n/aSchoeller et al., 2002
BacteriaStreptomyces Albus IFO 13014n/aSchoeller et al., 2002
BacteriaStreptomyces Antibioticus ETH 22014n/aSchoeller et al., 2002
BacteriaStreptomyces Aureofaciens ETH 13387n/aSchoeller et al., 2002
BacteriaStreptomyces Coelicolor ATCC 21666n/aSchoeller et al., 2002
BacteriaStreptomyces Coelicolor DSM 40233n/aSchoeller et al., 2002
BacteriaStreptomyces Diastatochromogenes IFO 13814n/aSchoeller et al., 2002
BacteriaStreptomyces Griseus ATCC 23345n/aSchoeller et al., 2002
BacteriaStreptomyces Griseus IFO 13849n/aSchoeller et al., 2002
BacteriaStreptomyces Hirsutus ATCC 19773n/aSchoeller et al., 2002
BacteriaStreptomyces Hirsutus ETH 1666n/aSchoeller et al., 2002
BacteriaStreptomyces Hygroscopicus ATCC 27438n/aSchoeller et al., 2002
BacteriaStreptomyces Murinus DSM 40091n/aSchoeller et al., 2002
BacteriaStreptomyces Murinus NRRL 8171n/aSchoeller et al., 2002
BacteriaStreptomyces Olivaceus ETH 6445n/aSchoeller et al., 2002
BacteriaStreptomyces Olivaceus ETH 7437n/aSchoeller et al., 2002
BacteriaStreptomyces Rishiriensis AMI 224n/aSchoeller et al., 2002
BacteriaStreptomyces Spp. AMI 240n/aSchoeller et al., 2002
BacteriaStreptomyces Spp. AMI 243n/aSchoeller et al., 2002
BacteriaStreptomyces Thermoviolaceus CBS 111.62n/aSchoeller et al., 2002
Fungi Ascocoryne SpGriffin et al. 2011
FungiAspergillus FlavusnanaSpraker et al., 2014
FungiCandida Tropicalisn/aBunge et al., 2008
Fungi Fusarium CulmorumSavel’eva et al 2015
Fungi Polysporus SulfureusHolighaus et al. 2014
FungiSaccharomyces Cerevisiaegrape vineBecher et al. 2012
FungiTrichodema Pseudokoningiin/aWheatley et al., 1997
FungiTrichodema Viriden/aWheatley et al., 1997
FungiTrichoderma VirideHung et al., 2013
FungiTuber SimoneaNoneNone March et al., 2006
FungiTuber Aestivumn/aAyme Truffe of Grignan, 26230 France March et al., 2006
FungiTuber Brumalen/aAyme Truffe of Grignan, 26230 France March et al., 2006
FungiTuber Melanosporumn/aAyme Truffe of Grignan, 26230 France March et al., 2006
FungiTuber Mesentericumn/aAyme Truffe of Grignan, 26230 France March et al., 2006
FungiTuber MiesentericumNoneNone March et al., 2006
FungiTuber Rufumn/aAyme Truffe of Grignan, 26230 France March et al., 2006
FungiTuber Simonean/aAyme Truffe of Grignan, 26230 France March et al., 2006
FungiVerticillium Longisporumcollection TU GrazRybakova et al. 2017
FungiTrichoderma Pseudokoningii (T64)n/anot shownWheatley et al., 1997
FungiPleurotus Eryngii Var. TuoliensisnanaUsami et al., 2014
BacteriaPseudomonas Chlororaphis 449naRhizosphere of maize, Kiev region, UkrainePopova et al., 2014
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaBacillus Amyloliquefaciens IN937aTryptic soy agarSPME coupled with GC-MS
BacteriaBacillus Pumilus 43P2BRR2AGC/MS SPME
BacteriaBacillus Subtilis GB03Tryptic soy agarSPME coupled with GC-MS
BacteriaEscherichia Colin/an/a
BacteriaKlebsiella Pneumoniae ATCC 13883LBSPME / GCxGC-TOFMSno
BacteriaLeuconostoc Citreum CIRM1455curd-based broth mediumGC/MSYes
BacteriaPaenibacillus Polymyxa E681Tryptic soy agarSPME coupled with GC-MS
BacteriaPaenibacillus Polymyxa Sb3-1GC-MS / SPMEno
BacteriaRalstonia SolanacearumCasamino Acid Peptone Glucose agarSPME-GC/MSNo
BacteriaSalmonella Enterican/an/a
BacteriaShigella Flexnerin/an/a
BacteriaStaphylococcus EpidermidisCLSA, charcoal, GC-MSno
BacteriaStreptomyces Albidoflavus AMI 246n/an/a
BacteriaStreptomyces Albus IFO 13014n/an/a
BacteriaStreptomyces Antibioticus ETH 22014n/an/a
BacteriaStreptomyces Aureofaciens ETH 13387n/an/a
BacteriaStreptomyces Coelicolor ATCC 21666n/an/a
BacteriaStreptomyces Coelicolor DSM 40233n/an/a
BacteriaStreptomyces Diastatochromogenes IFO 13814n/an/a
BacteriaStreptomyces Griseus ATCC 23345n/an/a
BacteriaStreptomyces Griseus IFO 13849n/an/a
BacteriaStreptomyces Hirsutus ATCC 19773n/an/a
BacteriaStreptomyces Hirsutus ETH 1666n/an/a
BacteriaStreptomyces Hygroscopicus ATCC 27438n/an/a
BacteriaStreptomyces Murinus DSM 40091n/an/a
BacteriaStreptomyces Murinus NRRL 8171n/an/a
BacteriaStreptomyces Olivaceus ETH 6445n/an/a
BacteriaStreptomyces Olivaceus ETH 7437n/an/a
BacteriaStreptomyces Rishiriensis AMI 224n/an/a
BacteriaStreptomyces Spp. AMI 240n/an/a
BacteriaStreptomyces Spp. AMI 243n/an/a
BacteriaStreptomyces Thermoviolaceus CBS 111.62n/an/a
Fungi Ascocoryne Spno
FungiAspergillus Flavusglucose minimal mediumSPME-GC/MSNo
FungiCandida Tropicalisn/an/a
Fungi Fusarium Culmorumno
Fungi Polysporus Sulfureusno
FungiSaccharomyces Cerevisiaesynthetic minimal mediumGC-MS, EIyes
FungiTrichodema PseudokoningiiLow mediumGC/MS
FungiTrichodema VirideLow mediumGC/MS
FungiTrichoderma VirideMalt extract agar Headspace volatiles collected with colomn/TD-GC-MSYes
FungiTuber SimoneaNonePressure balanced head-space sampling and GC/TOF-MSNo
FungiTuber Aestivumn/aPressure balanced head-space sampling and GC/TOF-MS
FungiTuber Brumalen/aPressure balanced head-space sampling and GC/TOF-MS
FungiTuber Melanosporumn/aPressure balanced head-space sampling and GC/TOF-MS
FungiTuber Mesentericumn/aPressure balanced head-space sampling and GC/TOF-MS
FungiTuber MiesentericumNonePressure balanced head-space sampling and GC/TOF-MSNo
FungiTuber Rufumn/aPressure balanced head-space sampling and GC/TOF-MS
FungiTuber Simonean/aPressure balanced head-space sampling and GC/TOF-MS
FungiVerticillium Longisporumpotato dextrose agar (PDA), Czapek Dox liquid cultureGC-MS / SPMEno
FungiTrichoderma Pseudokoningii (T64)minimal agarVOCS 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 25°C for 48h.
FungiPleurotus Eryngii Var. TuoliensisnaGC/MS, GC-O, AEDANo
BacteriaPseudomonas Chlororaphis 449LB mediumSPME-GC/MSNo


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 namebutane-2,3-dione
SMILESCC(=O)C(=O)C
InchiInChI=1S/C4H6O2/c1-3(5)4(2)6/h1-2H3
FormulaC4H6O2
PubChem ID650
Molweight86.09
LogP0.4
Atoms12
Bonds11
H-bond Acceptor2
H-bond Donor0
Chemical ClassificationKetones

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
PressureReference
56.8 mm Hg at 25 deg CBoublik, T., Fried, V., and Hala, E., The Vapour Pressures of Pure Substances. Second Revised Edition. Amsterdam: Elsevier, 1984.
MS-Links
1D-NMR-Links

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaStaphylococcus EpidermidisDSMZVerhulst et al. 2010
BacteriaCoagulase-negative Staphylococcin/aHettinga et al., 2008
BacteriaEscherichia ColiNational collection of type cultures (NCTC) UKTait et al., 2014
BacteriaStaphylococcus AureusNational collection of type cultures (NCTC) UKTait et al., 2014
BacteriaStreptococcus Dysgalactiaen/aHettinga et al., 2008
BacteriaStreptococcus Uberisn/aHettinga et al., 2008
BacteriaKlebsiella Pneumoniae ATCC 13883Rees et al. 2016
BacteriaBacillus Amyloliquefaciens IN937an/aLee et al., 2012
BacteriaBacillus Amyloliquefaciens UCMB5113nanaAsari et al., 2016
BacteriaBacillus Subtilis GB03n/aLee et al., 2012
BacteriaEscherichia Colin/aHettinga et al., 2008
BacteriaKlebsiella Pneumoniae ATCC 13883Rees et al. 2017
BacteriaLactobacillus Rhamnosus LSL 222can be used to modify or intensify the flavour of industrial cheeses or fermented milks or to preserve the peculiar flavour of traditional dairy productsPogačić et al., 2015
BacteriaPaenibacillus Polymyxa E681n/aLee et al., 2012
BacteriaPaenibacillus Polymyxa Sb3-1collection TU GrazRybakova et al. 2017
BacteriaStaphylococcus Aureusn/aHettinga et al., 2008
BacteriaStaphylococcus Sciurinafrom the gut flora of pea aphid Acyrthosiphon pisum honeydewLeroy et al., 2011
FungiTuber Aestivumn/aT. melanosporum was from the cultivated truffle zones in the province and T. aestivum from the natural truffle zones in the same regionCullere et al., 2010
FungiTuber Melanosporumn/aT. melanosporum was from the cultivated truffle zones in the province and T. aestivum from the natural truffle zones in the same regionCullere et al., 2010
BacteriaLactobacillus Rhamnosus LSL 222nanaPogačić et al., 2016
FungiTuber BorchiiAroma active compound in Tuber melanosporum and Tuber aestivum syn Tuber uncinatumnaSplivallo and Ebeler 2015
BacteriaStaphylococcus Sp.n/aSchulz and Dickschat, 2007
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaStaphylococcus EpidermidisCLSA, charcoal, GC-MSno
BacteriaCoagulase-negative StaphylococciMilkHS-SPME/GC-MS
BacteriaEscherichia Colimilk samplesGC-MS(BPX-5)no
BacteriaStaphylococcus Aureusmilk samplesGC-MS(BPX-5)no
BacteriaStreptococcus DysgalactiaeMilkHS-SPME/GC-MS
BacteriaStreptococcus UberisMilkHS-SPME/GC-MS
BacteriaKlebsiella Pneumoniae ATCC 13883LB GCxGC-TOF-MSno
BacteriaBacillus Amyloliquefaciens IN937aTryptic soy agarSPME coupled with GC-MS
BacteriaBacillus Amyloliquefaciens UCMB5113M9AGC/MSNo
BacteriaBacillus Subtilis GB03Tryptic soy agarSPME coupled with GC-MS
BacteriaEscherichia ColiMilkHS-SPME/GC-MS
BacteriaKlebsiella Pneumoniae ATCC 13883LBSPME / GCxGC-TOFMSno
BacteriaLactobacillus Rhamnosus LSL 222Man Rogosa Sharpe broth (MRS)Tenaxâ„¢-trap/GC-MS
BacteriaPaenibacillus Polymyxa E681Tryptic soy agarSPME coupled with GC-MS
BacteriaPaenibacillus Polymyxa Sb3-1GC-MS / SPMEno
BacteriaStaphylococcus AureusMilkHS-SPME/GC-MS
BacteriaStaphylococcus Sciuri864 liquid mediumSPME-GC/MS
FungiTuber Aestivumn/aGas chromatography-olfactometry (GC-O)
FungiTuber Melanosporumn/aGas chromatography-olfactometry (GC-O)
BacteriaLactobacillus Rhamnosus LSL 222curd-based broth mediumGC/MSYes
FungiTuber BorchiinaSPME-GC/MS/O); GC-RYes
BacteriaStaphylococcus Sp.n/an/a


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
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139-EP2298740A1
139-EP2298741A1
139-EP2298742A1
139-EP2298743A1
139-EP2298744A2
139-EP2298745A1
139-EP2298746A1
139-EP2298747A1
139-EP2298748A2
139-EP2298749A1
139-EP2298750A1
139-EP2298751A2
139-EP2298752A1
139-EP2298753A1
139-EP2298754A1
139-EP2298755A1
139-EP2298756A1
139-EP2298757A2
139-EP2298758A1
139-EP2298759A1
139-EP2298760A1
139-EP2298761A1
139-EP2298763A1
139-EP2298764A1
139-EP2298765A1
139-EP2298766A1
139-EP2298767A1
139-EP2298768A1
139-EP2298769A1
139-EP2298770A1
139-EP2298771A2
139-EP2298772A1
139-EP2298773A1
139-EP2298774A1
139-EP2298775A1
139-EP2298776A1
139-EP2298778A1
139-EP2298779A1
139-EP2298783A1
139-EP2298828A1
139-EP2299509A1
139-EP2299510A1
139-EP2301533A1
139-EP2301534A1
139-EP2301536A1
139-EP2301538A1
139-EP2301540A1
139-EP2301544A1
139-EP2301627A1
139-EP2301909A1
139-EP2301911A1
139-EP2301912A2
139-EP2301913A1
139-EP2301914A1
139-EP2301916A2
139-EP2301919A1
139-EP2301920A1
139-EP2301921A1
139-EP2301922A1
139-EP2301923A1
139-EP2301925A1
139-EP2301928A1
139-EP2301929A1
139-EP2301931A1
139-EP2301933A1
139-EP2301934A1
139-EP2301935A1
139-EP2301936A1
139-EP2301937A1
139-EP2301938A1
139-EP2301939A1
139-EP2301940A1
139-EP2301941A1
139-EP2301983A1
139-EP2302003A1
139-EP2305033A1
139-EP2305219A1
139-EP2305243A1
139-EP2305250A1
139-EP2305254A1
139-EP2305257A1
139-EP2305260A1
139-EP2305625A1
139-EP2305627A1
139-EP2305629A1
139-EP2305633A1
139-EP2305637A2
139-EP2305640A2
139-EP2305641A1
139-EP2305642A2
139-EP2305643A1
139-EP2305644A1
139-EP2305647A1
139-EP2305648A1
139-EP2305649A1
139-EP2305651A1
139-EP2305652A2
139-EP2305654A1
139-EP2305655A2
139-EP2305657A2
139-EP2305658A1
139-EP2305659A1
139-EP2305660A1
139-EP2305662A1
139-EP2305663A1
139-EP2305664A1
139-EP2305666A1
139-EP2305667A2
139-EP2305668A1
139-EP2305669A1
139-EP2305671A1
139-EP2305672A1
139-EP2305673A1
139-EP2305674A1
139-EP2305675A1
139-EP2305676A1
139-EP2305677A1
139-EP2305678A1
139-EP2305679A1
139-EP2305680A2
139-EP2305681A1
139-EP2305682A1
139-EP2305683A1
139-EP2305684A1
139-EP2305685A1
139-EP2305686A1
139-EP2305687A1
139-EP2305688A1
139-EP2305695A2
139-EP2305696A2
139-EP2305697A2
139-EP2305698A2
139-EP2305769A2
139-EP2305808A1
139-EP2305825A1
139-EP2308471A1
139-EP2308479A2
139-EP2308492A1
139-EP2308509A1
139-EP2308510A1
139-EP2308562A2
139-EP2308812A2
139-EP2308828A2
139-EP2308832A1
139-EP2308833A2
139-EP2308838A1
139-EP2308839A1
139-EP2308840A1
139-EP2308841A2
139-EP2308842A1
139-EP2308848A1
139-EP2308849A1
139-EP2308850A1
139-EP2308851A1
139-EP2308852A1
139-EP2308853A1
139-EP2308854A1
139-EP2308855A1
139-EP2308857A1
139-EP2308858A1
139-EP2308861A1
139-EP2308863A1
139-EP2308864A1
139-EP2308865A1
139-EP2308866A1
139-EP2308867A2
139-EP2308868A1
139-EP2308869A1
139-EP2308870A2
139-EP2308871A1
139-EP2308872A1
139-EP2308873A1
139-EP2308874A1
139-EP2308875A1
139-EP2308876A1
139-EP2308877A1
139-EP2308878A2
139-EP2308879A1
139-EP2308880A1
139-EP2308882A1
139-EP2308883A1
139-EP2308926A1
139-EP2309505A1
139-EP2309564A1
139-EP2309584A1
139-EP2311451A1
139-EP2311453A1
139-EP2311455A1
139-EP2311464A1
139-EP2311494A1
139-EP2311796A1
139-EP2311797A1
139-EP2311798A1
139-EP2311799A1
139-EP2311801A1
139-EP2311802A1
139-EP2311803A1
139-EP2311805A1
139-EP2311806A2
139-EP2311807A1
139-EP2311808A1
139-EP2311810A1
139-EP2311811A1
139-EP2311812A1
139-EP2311814A1
139-EP2311815A1
139-EP2311816A1
139-EP2311817A1
139-EP2311818A1
139-EP2311820A1
139-EP2311821A1
139-EP2311822A1
139-EP2311823A1
139-EP2311824A1
139-EP2311825A1
139-EP2311826A2
139-EP2311827A1
139-EP2311828A1
139-EP2311829A1
139-EP2311830A1
139-EP2311831A1
139-EP2311832A1
139-EP2311833A1
139-EP2311834A1
139-EP2311835A1
139-EP2311836A1
139-EP2311837A1
139-EP2311838A1
139-EP2311839A1
139-EP2311840A1
139-EP2311842A2
139-EP2311850A1
139-EP2314295A1
139-EP2314298A1
139-EP2314558A1
139-EP2314571A2
139-EP2314575A1
139-EP2314576A1
139-EP2314577A1
139-EP2314578A1
139-EP2314579A1
139-EP2314581A1
139-EP2314582A1
139-EP2314583A1
139-EP2314584A1
139-EP2314585A1
139-EP2314586A1
139-EP2314587A1
139-EP2314588A1
139-EP2314589A1
139-EP2314590A1
139-EP2314591A1
139-EP2314593A1
139-EP2315303A1
139-EP2315502A1
139-EP2316450A1
139-EP2316452A1
139-EP2316457A1
139-EP2316458A1
139-EP2316459A1
139-EP2316470A2
139-EP2316825A1
139-EP2316826A1
139-EP2316827A1
139-EP2316828A1
139-EP2316829A1
139-EP2316830A2
139-EP2316831A1
139-EP2316832A1
139-EP2316833A1
139-EP2316835A1
139-EP2316836A1
139-EP2316837A1
139-EP2316905A1
139-EP2316906A2
139-EP2316937A1
139-EP2371797A1
139-EP2371798A1
139-EP2371800A1
139-EP2371806A1
139-EP2371807A1
139-EP2371810A1
139-EP2371811A2
139-EP2371813A1
139-EP2371814A1
139-EP2371823A1
139-EP2371831A1
139-EP2372017A1
139-EP2372804A1
139-EP2374454A1
139-EP2374538A1
139-EP2374780A1
139-EP2374781A1
139-EP2374783A1
139-EP2374788A1
139-EP2374790A1
139-EP2374791A1
139-EP2374792A1
139-EP2374895A1
139-EP2377510A1
139-EP2377841A1
139-EP2377845A1
139-EP2377847A1
139-EP2378585A1
139-EP2380568A1
139-EP2380872A1
139-EP2380873A1
139-EP2380874A2
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
1037-EP2275411A2
1037-EP2277565A2
1037-EP2277566A2
1037-EP2277567A1
1037-EP2277568A2
1037-EP2277569A2
1037-EP2277570A2
1037-EP2277862A2
1037-EP2277866A1
1037-EP2277867A2
1037-EP2280003A2
1037-EP2280008A2
1037-EP2280010A2
1037-EP2281563A1
1037-EP2284160A1
1037-EP2284169A1
1037-EP2284172A1
1037-EP2287152A2
1037-EP2287160A1
1037-EP2287161A1
1037-EP2287162A1
1037-EP2289868A1
1037-EP2289893A1
1037-EP2292227A2
1037-EP2292280A1
1037-EP2295055A2
1037-EP2295402A2
1037-EP2295408A1
1037-EP2295410A1
1037-EP2295416A2
1037-EP2295437A1
1037-EP2295439A1
1037-EP2298734A2
1037-EP2298735A1
1037-EP2298748A2
1037-EP2298770A1
1037-EP2298775A1
1037-EP2301939A1
1037-EP2302382A2
1037-EP2302383A2
1037-EP2305243A1
1037-EP2305254A1
1037-EP2305679A1
1037-EP2305684A1
1037-EP2305689A1
1037-EP2308479A2
1037-EP2308861A1
1037-EP2308872A1
1037-EP2308873A1
1037-EP2308875A1
1037-EP2311453A1
1037-EP2311809A1
1037-EP2311814A1
1037-EP2311821A1
1037-EP2311824A1
1037-EP2311831A1
1037-EP2311832A1
1037-EP2311833A1
1037-EP2311837A1
1037-EP2311840A1
1037-EP2311842A2
1037-EP2314584A1
1037-EP2316459A1
1037-EP2316470A2
1037-EP2316829A1
1037-EP2316831A1
1037-EP2316832A1
1037-EP2316833A1
1037-EP2316834A1
1037-EP2316835A1
1037-EP2316836A1
1037-EP2374454A1
4260-EP2269977A2
4260-EP2269988A2
4260-EP2269996A1
4260-EP2270000A1
4260-EP2270001A1
4260-EP2270002A1
4260-EP2270003A1
4260-EP2270006A1
4260-EP2270008A1
4260-EP2270010A1
4260-EP2270011A1
4260-EP2270012A1
4260-EP2270013A1
4260-EP2270015A1
4260-EP2270018A1
4260-EP2272510A1
4260-EP2272825A2
4260-EP2272826A1
4260-EP2272839A1
4260-EP2272840A1
4260-EP2272848A1
4260-EP2275102A1
4260-EP2275412A1
4260-EP2275413A1
4260-EP2277848A1
4260-EP2277867A2
4260-EP2277874A1
4260-EP2277875A2
4260-EP2277877A1
4260-EP2279741A2
4260-EP2280003A2
4260-EP2280006A1
4260-EP2280008A2
4260-EP2280010A2
4260-EP2281563A1
4260-EP2281812A1
4260-EP2281813A1
4260-EP2281819A1
4260-EP2281822A1
4260-EP2281861A2
4260-EP2284157A1
4260-EP2284174A1
4260-EP2286811A1
4260-EP2287156A1
4260-EP2287159A1
4260-EP2287165A2
4260-EP2287166A2
4260-EP2287167A1
4260-EP2289509A2
4260-EP2289881A1
4260-EP2289883A1
4260-EP2289893A1
4260-EP2289894A2
4260-EP2292589A1
4260-EP2292593A2
4260-EP2292612A2
4260-EP2292617A1
4260-EP2292620A2
4260-EP2292628A2
4260-EP2295055A2
4260-EP2295401A2
4260-EP2295402A2
4260-EP2295409A1
4260-EP2295411A1
4260-EP2295412A1
4260-EP2295413A1
4260-EP2295416A2
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 nameethanol
SMILESCCO
InchiInChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3
FormulaCH3CH2OH
PubChem ID702
Molweight46.069
LogP-0.16
Atoms9
Bonds8
H-bond Acceptor1
H-bond Donor1
Chemical ClassificationAlcohols

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
PressureReference
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
1D-NMR-Links

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
FungiTuber Aestivumn/aProf. Mattia Bentivenga (Università di Perugia, Perugia, Italy) and in the fortywoodland of the Basilicata regionMauriello et al., 2004
FungiTuber Borchiin/aProf. Mattia Bentivenga (Università di Perugia, Perugia, Italy) and in the fortywoodland of the Basilicata regionMauriello et al., 2004
FungiTuber Brumalen/aProf. Mattia Bentivenga (Università di Perugia, Perugia, Italy) and in the fortywoodland of the Basilicata regionMauriello et al., 2004
FungiTuber Excavatumn/aProf. Mattia Bentivenga (Università di Perugia, Perugia, Italy) and in the fortywoodland of the Basilicata regionMauriello et al., 2004
FungiTuber Melanosporumn/aProf. Mattia Bentivenga (Università di Perugia, Perugia, Italy) and in the fortywoodland of the Basilicata regionMauriello et al., 2004
BacteriaArthrobacter Agilis UMCV2narhizosphere of maize plantsVelázquez-Becerra et al.,2011
BacteriaBacillus Amyloliquefaciens IN937an/aLee et al., 2012
BacteriaBacillus Subtilis GB03n/aLee et al., 2012
BacteriaClostridium Sp.n/aStotzky and Schenk, 1976
BacteriaEnterobacter Cloacaen/aArnold and Senter, 1998
BacteriaEscherichia Colin/aBunge et al., 2008
BacteriaKlebsiella Pneumoniaen/aArnold and Senter, 1998
BacteriaL Isteria Monocytogenesn/aArnold and Senter, 1998
BacteriaLactobacillus Fermentum LSL 205nanaPogačić et al., 2016
BacteriaPaenibacillus Polymyxa E681n/aLee et al., 2012
BacteriaPseudomonas Simiae AUnarhizosphere of a soybean field in the province of Rajasthan, IndiaVaishnav et al., 2016
BacteriaSalmonella Enterican/aBunge et al., 2008
BacteriaSalmonella Enteritidisn/aArnold and Senter, 1998
BacteriaSerratia Spp. B2675n/aBruce et al., 2004
BacteriaSerratia Spp. B675n/aBruce et al., 2004
BacteriaShigella Flexnerin/aBunge et al., 2008
BacteriaStaphylococcus Aureusn/aJia et al., 2010
BacteriaThermoactinomyces Vulgaris DSM 43016nasoilWilkins, 1996
FungiAerobasidium PullulansInhibited growth of fungi( Aspergillus niger). Has no effect on bacteria. Stimulation of rhizomorph production of Armillaria mellea.Stotzky and Schenk, 1976
FungiAscocoryne Sarcoides NRRL 50072n/aMallette et al. 2012
FungiAspergillus Fumigatus Strain FGSC A1163Heddergott et al. 2014
FungiBoletus VariegatusInhibited growth of fungi( Aspergillus niger). Has no effect on bacteria. Stimulation of rhizomorph production of Armillaria mellea.Stotzky and Schenk, 1976
FungiCandida Shehataecacti, fruits, insects, natural habitatsNout and Bartelt 1998
FungiCandida Tropicalisn/aBunge et al., 2008
Fungi Ceratocystis FagacearumLin and Phelan 1992
FungiCeratocystis Sp.Inhibited growth of fungi( Aspergillus niger). Has no effect on bacteria. Stimulation of rhizomorph production of Armillaria mellea.Stotzky and Schenk, 1976
FungiFomes Sp.Inhibited growth of fungi( Aspergillus niger). Has no effect on bacteria. Stimulation of rhizomorph production of Armillaria mellea.Stotzky and Schenk, 1976
FungiFusarium SpPierce et al. 1991
FungiMuscodor Albus CZ-620n/aCorcuff et al., 2011
FungiMuscodor Crispansn/aMitchell et al., 2010
FungiNeurospora Sitophila ATCC 46892n/aPastore et al.,1994
FungiNeurospora Sp.n/aPastore et al., 1994
FungiOgataea Pininamycangia of Dendroctonus brevicomisDavis et al., 2011
FungiPenicillium Aurantiogriseumn/aBoerjesson et al., 1990
Fungi Penicillium CamembertiLarsen 1998
Fungi Penicillium CaseifulvumLarsen 1998
FungiPenicillium CorymbiferumPierce et al. 1991
FungiPhoma Sp.n/aStrobel et al., 2014
FungiSaccharomyces CerevisiaeInhibited growth of fungi( Aspergillus niger). Has no effect on bacteria. Stimulation of rhizomorph production of Armillaria mellea.Stotzky and Schenk, 1976
FungiSaccharomyces Cerevisiae CR1control citrus black spot disease fermentation processesToffano et al. 2017
FungiSaccharomyces Cerevisiae Y1001n/aBruce et al., 2004
FungiScolulariopsis BrevicaulisPierce et al. 1991
FungiThielaviopsis BasicolaInhibited growth of fungi( Aspergillus niger). Has no effect on bacteria. Stimulation of rhizomorph production of Armillaria mellea.Stotzky and Schenk, 1976
FungiTrichodema Pseudokoningiin/aWheatley et al., 1997
FungiTrichodema Viriden/aWheatley et al., 1997
FungiTrichoderma Sp.Inhibited growth of fungi( Aspergillus niger). Has no effect on bacteria. Stimulation of rhizomorph production of Armillaria mellea.Stotzky and Schenk, 1976
FungiTrichoderma Viriden/aHung et al., 2013
FungiTuber SimoneaNoneNone March et al., 2006
FungiTuber Aestivumn/aAyme Truffe of Grignan, 26230 France March et al., 2006
FungiTuber Brumalen/aAyme Truffe of Grignan, 26230 France March et al., 2006
FungiTuber Melanosporumn/aAyme Truffe of Grignan, 26230 France March et al., 2006
FungiTuber Mesentericumn/aAyme Truffe of Grignan, 26230 France March et al., 2006
FungiTuber MiesentericumNoneNone March et al., 2006
FungiTuber Rufumn/aAyme Truffe of Grignan, 26230 France March et al., 2006
FungiTuber Simonean/aAyme Truffe of Grignan, 26230 France March et al., 2006
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
FungiTuber Aestivumn/amicroextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)
FungiTuber Borchiin/amicroextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)
FungiTuber Brumalen/amicroextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)
FungiTuber Excavatumn/amicroextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)
FungiTuber Melanosporumn/amicroextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)
BacteriaArthrobacter Agilis UMCV2LB mediumSPME-GC/MSNo
BacteriaBacillus Amyloliquefaciens IN937aTryptic soy agarSPME coupled with GC-MS
BacteriaBacillus Subtilis GB03Tryptic soy agarSPME coupled with GC-MS
BacteriaClostridium Sp.n/an/a
BacteriaEnterobacter CloacaeHS-SPME/GC-MS
BacteriaEscherichia Colin/an/a
BacteriaKlebsiella PneumoniaeTS brothHS-SPME/GC-MS
BacteriaL Isteria MonocytogenesHS-SPME/GC-MS
BacteriaLactobacillus Fermentum LSL 205curd-based broth mediumGC/MSYes
BacteriaPaenibacillus Polymyxa E681Tryptic soy agarSPME coupled with GC-MS
BacteriaPseudomonas Simiae AUNutrient broth; King's B agarGC/MSNo
BacteriaSalmonella Enterican/an/a
BacteriaSalmonella EnteritidisHS-SPME/GC-MS
BacteriaSerratia Spp. B2675n/an/a
BacteriaSerratia Spp. B675n/an/a
BacteriaShigella Flexnerin/an/a
BacteriaStaphylococcus AureusMueller Hinton brothHS-SPME/GC-MS
BacteriaThermoactinomyces Vulgaris DSM 43016Nutrient agar CM3GC/MS
FungiAerobasidium Pullulansn/an/a
FungiAscocoryne Sarcoides NRRL 50072Minimal mediumPTR-MS and SPME GC-MS
FungiAspergillus Fumigatus Strain FGSC A1163Brian`s broth, AMM, RPMI 1657SPME / GC-MS
FungiBoletus Variegatusn/an/a
FungiCandida Shehataeyeast malt agarSPME, GC-MSyes
FungiCandida Tropicalisn/an/a
Fungi Ceratocystis Fagacearumno
FungiCeratocystis Sp.n/an/a
FungiFomes Sp.n/an/a
FungiFusarium SpGC-FIDyes
FungiMuscodor Albus CZ-620n/aHeadspace sampler/GC-MS
FungiMuscodor Crispanspotato dextrose agarSPME-GC-MS
FungiNeurospora Sitophila ATCC 46892Malt extractHeadspace/gas chromatography
FungiNeurospora Sp.potato dextrose agardynamic headspace/gas chromatography
FungiOgataea PiniMEAGC/MS
FungiPenicillium Aurantiogriseumn/an/a
Fungi Penicillium Camembertino
Fungi Penicillium Caseifulvumno
FungiPenicillium CorymbiferumGC-FIDyes
FungiPhoma Sp.n/aSolid phase microextraction (SPME)
FungiSaccharomyces Cerevisiaen/an/a
FungiSaccharomyces Cerevisiae CR1YEPDAGC/MSno
FungiSaccharomyces Cerevisiae Y1001n/an/a
FungiScolulariopsis BrevicaulisGC-FIDyes
FungiThielaviopsis Basicolan/an/a
FungiTrichodema PseudokoningiiMalt extract/Low mediumGC/MS
FungiTrichodema VirideMalt extract/Low mediumGC/MS
FungiTrichoderma Sp.n/an/a
FungiTrichoderma VirideMalt extract agar Headspace volatiles collected with colomn/TD-GC-MS
FungiTuber SimoneaNonePressure balanced head-space sampling and GC/TOF-MSNo
FungiTuber Aestivumn/aPressure balanced head-space sampling and GC/TOF-MS
FungiTuber Brumalen/aPressure balanced head-space sampling and GC/TOF-MS
FungiTuber Melanosporumn/aPressure balanced head-space sampling and GC/TOF-MS
FungiTuber Mesentericumn/aPressure balanced head-space sampling and GC/TOF-MS
FungiTuber MiesentericumNonePressure balanced head-space sampling and GC/TOF-MSNo
FungiTuber Rufumn/aPressure balanced head-space sampling and GC/TOF-MS
FungiTuber Simonean/aPressure 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 namemethanethiol
SMILESCS
InchiInChI=1S/CH4S/c1-2/h2H,1H3
FormulaCH4S
PubChem ID878
Molweight48.1
LogP0.84
Atoms6
Bonds5
H-bond Acceptor0
H-bond Donor1
Chemical ClassificationThiols 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
PressureReference
1,510 mm Hg at 25 deg CDaubert, 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
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaAlcaligenes Faecalisn/aSchulz and Dickschat, 2007
BacteriaAlpha Proteobacteria Groupn/aSchulz and Dickschat, 2007
BacteriaBacillus Amyloliquefaciens IN937an/aLee et al., 2012
BacteriaBacillus Subtilis GB03n/aLee et al., 2012
BacteriaBrevibacterium Linensn/aSchulz and Dickschat, 2007
BacteriaCitrobacter Freundiin/aSchulz and Dickschat, 2007
BacteriaDesulfovibrio Acrylicusn/aSchulz and Dickschat, 2007
BacteriaEscherichia Colin/aBunge et al., 2008
BacteriaFusobacterium Nucleatumn/aSchulz and Dickschat, 2007
BacteriaGamma Proteobacterian/aSchulz and Dickschat, 2007
BacteriaKlebsiella Pneumoniae ATCC 13883Rees et al. 2017
BacteriaLactobacillus Brevisn/aSchulz and Dickschat, 2007
BacteriaLactobacillus Hilgardiin/aSchulz and Dickschat, 2007
BacteriaLactobacillus Lactisn/aSchulz and Dickschat, 2007
BacteriaLactobacillus Plantarumn/aSchulz and Dickschat, 2007
BacteriaLactobacillus Sp.n/aSchulz and Dickschat, 2007
BacteriaLactococcus Sp.n/aSchulz and Dickschat, 2007
BacteriaOenococcus Oenin/aSchulz and Dickschat, 2007
BacteriaPaenibacillus Polymyxa E681n/aLee et al., 2012
BacteriaParasporobacterium Paucivoransn/aSchulz and Dickschat, 2007
BacteriaPorphyromonas Gingivalisn/aSchulz and Dickschat, 2007
BacteriaPseudomonas Putida KT 2442nanaSchoeller et al., 1997
BacteriaPseudomonas Putida USB2105narhizosphere of bean plants, southern ItalyGiorgio et al., 2015
BacteriaPseudomonas Tolaasii NCPPB 2192nanaCantore et al., 2015
BacteriaPseudomonas Tolaasii USB1nanaCantore et al., 2015
BacteriaPseudomonas Tolaasii USB66nanaCantore et al., 2015
BacteriaRalstonia SolanacearumnanaSpraker et al., 2014
BacteriaSalmonella Enterican/aBunge et al., 2008
BacteriaShigella Flexnerin/aBunge et al., 2008
BacteriaTreponema Denticolan/aSchulz and Dickschat, 2007
FungiCandida Tropicalisn/aBunge et al., 2008
FungiTuber Magnatumn/aItalian geographical areas (Piedmont, Marche, Emilia Romagna, Border region area between Emilia Romagna and Marche)Gioacchini et al., 2008
BacteriaKlebsiella Pneumoniae ATCC 13883Rees et al. 2016
BacteriaStreptococcus PneumoniaeclinicPreti., 2009
FungiSchizophyllum Communen/aStotzky and Schenk, 1976
BacteriaPseudomonas Perolens ATCC 10757nasterile fish muscle (Sebastes melanops)Miller et al., 1973
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaAlcaligenes Faecalisn/an/a
BacteriaAlpha Proteobacteria Groupn/an/a
BacteriaBacillus Amyloliquefaciens IN937aTryptic soy agarSPME coupled with GC-MS
BacteriaBacillus Subtilis GB03Tryptic soy agarSPME coupled with GC-MS
BacteriaBrevibacterium Linensn/an/a
BacteriaCitrobacter Freundiin/an/a
BacteriaDesulfovibrio Acrylicusn/an/a
BacteriaEscherichia Colin/an/a
BacteriaFusobacterium Nucleatumn/an/a
BacteriaGamma Proteobacterian/an/a
BacteriaKlebsiella Pneumoniae ATCC 13883LBSPME / GCxGC-TOFMSno
BacteriaLactobacillus Brevisn/an/a
BacteriaLactobacillus Hilgardiin/an/a
BacteriaLactobacillus Lactisn/an/a
BacteriaLactobacillus Plantarumn/an/a
BacteriaLactobacillus Sp.n/an/a
BacteriaLactococcus Sp.n/an/a
BacteriaOenococcus Oenin/an/a
BacteriaPaenibacillus Polymyxa E681Tryptic soy agarSPME coupled with GC-MS
BacteriaParasporobacterium Paucivoransn/an/a
BacteriaPorphyromonas Gingivalisn/an/a
BacteriaPseudomonas Putida KT 2442AB medium + 1% citrate or 0,02% citrate or 1% glucose +1% casaminoacid GC-FID,GC/MS
BacteriaPseudomonas Putida USB2105King's B AgarSPME-GC/MSNo
BacteriaPseudomonas Tolaasii NCPPB 2192KBSPME-GC
BacteriaPseudomonas Tolaasii USB1KBSPME-GC
BacteriaPseudomonas Tolaasii USB66KBSPME-GC
BacteriaRalstonia SolanacearumCasamino Acid Peptone Glucose agarSPME-GC/MSNo
BacteriaSalmonella Enterican/an/a
BacteriaShigella Flexnerin/an/a
BacteriaTreponema Denticolan/an/a
FungiCandida Tropicalisn/an/a
FungiTuber Magnatumn/amicroextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)
BacteriaKlebsiella Pneumoniae ATCC 13883LB GCxGC-TOF-MSno
BacteriaStreptococcus PneumoniaeBlood agar/chocolate blood agaHS-SPME/GC-MS no
FungiSchizophyllum Communen/an/a
BacteriaPseudomonas Perolens ATCC 10757Trypticase 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 name3-methylbutan-1-ol
SMILESCC(C)CCO
InchiInChI=1S/C5H12O/c1-5(2)3-4-6/h5-6H,3-4H2,1-2H3
Formula(CH3)2CHCH2CH2OH
PubChem ID31260
Molweight88.15
LogP1.09
Atoms18
Bonds17
H-bond Acceptor1
H-bond Donor1
Chemical ClassificationAlcohols 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
PressureReference
2.37 mm Hg @ 25 deg CRiddick, 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
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaBacillus Amyloliquefaciens IN937an/aLee et al., 2012
BacteriaBacillus Subtilis GB03n/aLee et al., 2012
BacteriaChryseobacterium Sp. AD48nanaTyc et al., 2015
BacteriaLegionella Pneumophilacould serve as potential biomarkers to distinguish between viruses and bacteriaQader et al., 2015
BacteriaPaenibacillus Polymyxa E681n/aLee et al., 2012
FungiAscocoryne Sarcoides NRRL 50072n/aMallette et al. 2012
FungiMuscodor Albus CZ-620n/aCorcuff et al., 2011
FungiMuscodor Albus CZ-621rye grainsCorcuff et al., 2011
FungiMuscodor CrispansWild pineapple plant, Ananas ananassoidesMitchell et al., 2010
FungiPhoma Sp.n/aStrobel et al., 2014
FungiPhomopsis Sp.naendophyte of Odontoglossum sp.Singh et al., 2011
FungiTrichoderma Atroviriden/aCrutcher et al., 2013
FungiTrichoderma Virensn/aCrutcher et al., 2013
BacteriaArthrobacter Agilis UMCV2narhizosphere of maize plantsVelázquez-Becerra et al.,2011
FungiAspergillus Flavusn/aStotzky and Schenk, 1976
FungiBoletus Variegatusn/aStotzky and Schenk, 1976
FungiNeurospora Sitophila ATCC 46892n/aPastore et al.,1994
FungiNeurospora Sp.n/aPastore et al.,1994
BacteriaBacillus Cereus B-569n/aBlom et al., 2011
BacteriaBurkholderia Andropogonis LMG 2129n/aBlom et al., 2011
BacteriaBurkholderia Anthina LMG 20980n/aBlom et al., 2011
BacteriaBurkholderia Caledonica LMG 19076n/aBlom et al., 2011
BacteriaBurkholderia Caryophylli LMG 2155n/aBlom et al., 2011
BacteriaBurkholderia Cepacia LMG 1222n/aBlom et al., 2011
BacteriaBurkholderia Cepacia LMG 1222 358RhizosphereBlom et al., 2011
BacteriaBurkholderia Fungorum LMG 16225n/aBlom et al., 2011
BacteriaBurkholderia Gladioli LMG 2216n/aBlom et al., 2011
BacteriaBurkholderia Glathei LMG 14190n/aBlom et al., 2011
BacteriaBurkholderia Glumae LMG 2196n/aBlom et al., 2011
BacteriaBurkholderia Graminis LMG 18924n/aBlom et al., 2011
BacteriaBurkholderia Hospita LMG 20598n/aBlom et al., 2011
BacteriaBurkholderia Kururiensis LMG 19447n/aBlom et al., 2011
BacteriaBurkholderia Lata LMG 22485n/aBlom et al., 2011
BacteriaBurkholderia Lata LMG 6993n/aBlom et al., 2011
BacteriaBurkholderia Phenazinium LMG 2247n/aBlom et al., 2011
BacteriaBurkholderia Phenoliruptrix LMG 22037n/aBlom et al., 2011
BacteriaBurkholderia Phytofirmans LMG 22487n/aBlom et al., 2011
BacteriaBurkholderia Pyrrocinia LMG 21822n/aBlom et al., 2011
BacteriaBurkholderia Sacchari LMG 19450n/aBlom et al., 2011
BacteriaBurkholderia Sordidicola LMG 22029n/aBlom et al., 2011
BacteriaBurkholderia Terricola LMG 20594n/aBlom et al., 2011
BacteriaBurkholderia Thailandensis LMG 20219n/aBlom et al., 2011
BacteriaBurkholderia Tropica LMG 22274n/aBlom et al., 2011
BacteriaBurkholderia Xenovorans LMG 21463n/aBlom et al., 2011
BacteriaCellulomonas Udan/aBlom et al., 2011
BacteriaChromobacterium Violaceum CV0n/aBlom et al., 2011
BacteriaCitrobacter FreundiiAmerican Type Culture Collection Robacker and Bartelt 1997
BacteriaCupriavidus Necator LMG 1199n/aBlom et al., 2011
BacteriaEnterobacter AgglomeransAmherst collectionEpsky et al. 1998
BacteriaEnterobacter Cloacaen/aArnold and Senter, 1998
BacteriaEnterobacter Cloacae SM 639naubiquitary,intestinalSchoeller et al., 1997
BacteriaEscherichia Colin/aTait et al., 2014
BacteriaEscherichia Coli ATCC15547American Type Culture Collection (ATCC), Rockville, MD or wild strains identified at the University of Kentucky Dept. of Animal Sciences Food Microbiology LaboratoryElgaali et al. 2002
BacteriaEscherichia Coli OP50n/aBlom et al., 2011
BacteriaHaemophilus Influenzaehumans, respiratory infectionsAbd El Qader et al. 2015
BacteriaKlebsiella Pneumoniaen/aTait et al., 2014
BacteriaKlebsiella Pneumoniae ATCC 13883Rees et al. 2017
BacteriaL Isteria Monocytogenesn/aArnold and Senter, 1998
BacteriaLactobacillus Caseifermented milkGallegos et al. 2017
BacteriaLactobacillus Lactis Subsp. CremorisSpanish strain collection CECTGallegos et al. 2017
BacteriaLactobacillus Lactis Subsp. LactisSpanish strain collection CECTGallegos et al. 2017
BacteriaLactobacillus Paracasei Subsp ParacaseiSpanish strain collection CECTGallegos et al. 2017
BacteriaLegionella Pneumophilahumans, respiratory infectionsAbd El Qader et al. 2015
BacteriaLimnobacter Thiooxidans LMG 19593n/aBlom et al., 2011
BacteriaMoraxella Catarrhalishumans, respiratory infectionsAbd El Qader et al. 2015
BacteriaMycobacterium Bovisn/aMCNerney et al., 2013
BacteriaPandoraea Norimbergensis LMG 18379n/aBlom et al., 2011
BacteriaPseudomonas Aeruginosan/aArnold and Senter, 1998
BacteriaPseudomonas Chlororaphisn/aBlom et al., 2011
BacteriaPseudomonas Fluorescens WCS 417rn/aBlom et al., 2011
BacteriaPseudomonas Perolens ATCC 10757nasterile fish muscle (Sebastes melanops)Miller et al., 1973
BacteriaPseudomonas Putida ISOfn/aBlom et al., 2011
BacteriaSalmonella Enteritidisn/aArnold and Senter, 1998
BacteriaSerratia Entomophilia A1MO2n/aBlom et al., 2011
BacteriaSerratia Marcescens MG1n/aBlom et al., 2011
BacteriaSerratia Plymuthica HRO-C48n/aBlom et al., 2011
BacteriaSerratia Plymuthica IC14n/aBlom et al., 2011
BacteriaSerratia Proteamaculans 42Mn/aErcolini et al., 2009
BacteriaSerratia Proteamaculans B5an/aBlom et al., 2011
BacteriaStaphylococcus Aureusn/aTait et al., 2014
BacteriaStaphylococcus EpidermidisDSMZVerhulst et al. 2010
BacteriaStaphylococcus Sciurinafrom the gut flora of pea aphid Acyrthosiphon pisum honeydewLeroy et al., 2011
BacteriaStenotrophomonas Rhizophilla Ep10-p69n/aBlom et al., 2011
BacteriaStreptomyces Albidoflavus AMI 246n/aSchoeller et al., 2002
BacteriaStreptomyces Albus Subsp. Pathocidicus IFO 13812n/aSchoeller et al., 2002
BacteriaStreptomyces Antibioticus CBS 659.68n/aSchoeller et al., 2002
BacteriaStreptomyces Antibioticus ETH 22014n/aSchoeller et al., 2002
BacteriaStreptomyces Aureofaciens ETH 13387n/aSchoeller et al., 2002
BacteriaStreptomyces Aureofaciens ETH 28832n/aSchoeller et al., 2002
BacteriaStreptomyces Coelicolor ATCC 21666n/aSchoeller et al., 2002
BacteriaStreptomyces Coelicolor DSM 40233n/aSchoeller et al., 2002
BacteriaStreptomyces Diastatochromogenes ETH 18822n/aSchoeller et al., 2002
BacteriaStreptomyces Diastatochromogenes IFO 13814n/aSchoeller et al., 2002
BacteriaStreptomyces Griseus ATCC 23345n/aSchoeller et al., 2002
BacteriaStreptomyces Griseus IFO 13849n/aSchoeller et al., 2002
BacteriaStreptomyces Hirsutus ATCC 19773n/aSchoeller et al., 2002
BacteriaStreptomyces Hirsutus ETH 1666n/aSchoeller et al., 2002
BacteriaStreptomyces Hygroscopicus ATCC 27438n/aSchoeller et al., 2002
BacteriaStreptomyces Hygroscopicus IFO 13255n/aSchoeller et al., 2002
BacteriaStreptomyces Murinus DSM 40091n/aSchoeller et al., 2002
BacteriaStreptomyces Murinus NRRL 8171n/aSchoeller et al., 2002
BacteriaStreptomyces Olivaceus ETH 6445n/aSchoeller et al., 2002
BacteriaStreptomyces Olivaceus ETH 7437n/aSchoeller et al., 2002
BacteriaStreptomyces Rishiriensis AMI 224n/aSchoeller et al., 2002
BacteriaStreptomyces Spp. AMI 240n/aSchoeller et al., 2002
BacteriaStreptomyces Thermoviolaceus CBS 111.62n/aSchoeller et al., 2002
BacteriaThermomonospora Fusca DSM 43792nasoilWilkins, 1996
FungiArmillaria Mellean/aMueller et al., 2013
FungiAspergillus Candiduscompost Fischer et al. 2052
FungiAspergillus Fumigatuscompost Fischer et al. 2052
FungiAspergillus Fumigatus Strain FGSC A1163Heddergott et al. 2014
FungiAspergillus Ornatusn/aMeruva et al., 2004
FungiAspergillus VersicolorSchleibinger et al.,2005
FungiAspergillus Versicolor Tiraboschinadamp indoor environments, food productsSunesson et al., 1995
FungiAspergillus Vesicolorcompost Fischer et al. 2052
FungiAureobasidium Pullulans FN868849attracts waspsisolated from apples (with lepidopteran orchard pests)Davis et al., 2012
FungiCandida Shehataecacti, fruits, insects, natural habitatsNout and Bartelt 1998
FungiChaetomium GlobosumSchleibinger et al.,2005
FungiEmericella Nidulanscompost Fischer et al. 2052
FungiEurotium AmstelodamiSchleibinger et al.,2005
FungiFusarium SpPierce et al. 1991
FungiHansenula Holstiiwhole beetles, beetle guts, loblolly pineBrand et al. 1977
FungiLaccaria Bicolorn/aMueller et al., 2013
FungiMortierella Isabellinamor horizon of a spruce forest soil southeastern SwedenBengtsson et al 1991
FungiPaecilomyces Variotiicompost Fischer et al. 2052
FungiPaecilomyces Variotii Bainnacompost, soils, food productsSunesson et al., 1995
FungiPaxillus Involutus MAJn/aMueller et al., 2013
FungiPaxillus Involutus NAUn/aMueller et al., 2013
FungiPencillium ChrysogenumNoneNoneMeruva et al., 2004
FungiPenicillium Aurantiogriseumn/aBoerjesson et al., 1990
FungiPenicillium BrevicompactumSchleibinger et al.,2005
FungiPenicillium Chrysogenumn/aMeruva et al., 2004
FungiPenicillium Clavigerumcompost Fischer et al. 2052
FungiPenicillium Commune Pittnain dry-cured meat products, cheeseSunesson et al., 1995
FungiPenicillium CorymbiferumPierce et al. 1991
FungiPenicillium Crustosumcompost Fischer et al. 2052
FungiPenicillium Glabrumcompost Fischer et al. 2052
FungiPenicillium Sp.n/aBjurman et al., 1997
FungiPhialophora Fastigiata ConantnanaSunesson et al., 1995
FungiPholiota Squarrosan/aMueller et al., 2013
FungiRhizopus Stolonifern/aMeruva et al., 2004
FungiSaccharomyces Cerevisiaegrape vineBecher et al. 2012
FungiSaccharomyces Cerevisiae CR1control citrus black spot disease fermentation processesToffano et al. 2017
FungiScolulariopsis BrevicaulisPierce et al. 1991
FungiStropharia Rugosoannulatan/aMueller et al., 2013
FungiTrichodema Pseudokoningiin/aWheatley et al., 1997
FungiTrichodema Viriden/aWheatley et al., 1997
FungiTrichoderma Viriden/aMueller et al., 2013
FungiTuber Aestivumn/aT. melanosporum was from the cultivated truffle zones in the province and T. aestivum from the natural truffle zones in the same regionCullere et al., 2010
FungiTuber Borchiin/aSplivallo et al., 2007
FungiTuber Excavatumn/aProf. Mattia Bentivenga (Università di Perugia, Perugia, Italy) and in the fortywoodland of the Basilicata regionMauriello et al., 2004
FungiTuber Indicumn/aSplivallo et al., 2007
FungiTuber Melanosporumn/aT. melanosporum was from the cultivated truffle zones in the province and T. aestivum from the natural truffle zones in the same regionCullere et al., 2010
FungiVerticillium Longisporumn/aMueller et al., 2013
FungiXylaria Sp.phytotoxic on the seed germination, root elongation and seedling respiration of Am. Hypochondriacus and S. lycopersicumHaematoxylon brasiletto, Morelos, MexicoSánchez-Ortiz et al., 2016
FungiAmpelomyces Sp. F-a-3nanaNaznin et al., 2014
FungiPhoma Sp. GS8-3nanaNaznin et al., 2014
FungiGeotrichum Candidumcompost mixed with milky fermented productZirbes et al. 2014
BacteriaActinomycetes Spp.Is an attractant of the Caribbean fruit fly Anastrepha suspensa. Schulz and Dickschat, 2007
BacteriaProteus Hauseri JN092591Nematicidal activitycow dungXU et al., 2015
BacteriaBacillus Amyloliquefaciens UCMB5113nanaAsari et al., 2016
BacteriaLactobacillus Rhamnosus LSL 212nanaPogačić et al., 2016
BacteriaSerratia Odorifera DSM 4582n/aWeise et al., 2014
BacteriaSerratia Proteamaculans 568n/aWeise et al., 2014
FungiPleurotus Eryngii Var. TuoliensisnanaUsami et al., 2014
BacteriaLactobacillus Casei NCIB 8010n/aTracey and Britz, 1989
BacteriaLactobacillus Plantarum NCIB 6376n/aTracey and Britz, 1989
BacteriaLactococcus Lactis DSM 20202n/aTracey and Britz, 1989
BacteriaLeuconostoc Cremoris DSM 20346n/aTracey and Britz, 1989
BacteriaLeuconostoc Dextranicum DSM 20484n/aTracey and Britz, 1989
BacteriaLeuconostoc Mesenteroides DSM 20343n/aTracey and Britz, 1989
BacteriaLeuconostoc Oenos B66n/aTracey and Britz, 1989
BacteriaLeuconostoc Oenos 19n/aTracey and Britz, 1989
BacteriaLeuconostoc Oenos 30n/aTracey and Britz, 1989
BacteriaLeuconostoc Oenos 36n/aTracey and Britz, 1989
BacteriaLeuconostoc Oenos 37Dn/aTracey and Britz, 1989
BacteriaLeuconostoc Oenos 7Bn/aTracey and Britz, 1989
BacteriaLeuconostoc Oenos DSM 20252n/aTracey and Britz, 1989
BacteriaLeuconostoc Oenos DSM 20255n/aTracey and Britz, 1989
BacteriaLeuconostoc Oenos DSM 20257n/aTracey and Britz, 1989
BacteriaLeuconostoc Oenos Lc5xn/aTracey and Britz, 1989
BacteriaLeuconostoc Paramesenteroides DSM 20288n/aTracey and Britz, 1989
BacteriaPediococcus Damnosus DSM 20331n/aTracey and Britz, 1989
BacteriaProteus Vulgaris Sp.nanaSu et al., 2016
BacteriaPseudochrobactrum Asaccharolyticum YMF3·00201nanaSu et al., 2016
BacteriaPseudomonas Putida BP25nablack pepper rootSheoran et al., 2015
BacteriaPseudomonas Putida BP25Rpositive influence of the plant root growth and protection against soil-borne pathogensSheoran et al., 2015
FungiVerticillium Longisporumcollection TU GrazRybakova et al. 2017
BacteriaClostridium Sp.n/aStotzky and Schenk, 1976
BacteriaCoagulase-negative Staphylococcin/aHettinga et al., 2008
BacteriaEscherichia Colimilk of cowsHettinga et al 2010
BacteriaSerratia Proteamaculans 94naspoiled meatPopova et al., 2014
BacteriaStreptococcus Dysgalactiaen/aHettinga et al., 2008
Fungi Chalaropsis ThielaviodesCollins 1961
FungiTrichoderma VirideHung et al., 2013
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaBacillus Amyloliquefaciens IN937aTryptic soy agarSPME coupled with GC-MS
BacteriaBacillus Subtilis GB03Tryptic soy agarSPME coupled with GC-MS
BacteriaChryseobacterium Sp. AD48Tryptic soy broth agarGC/MS-Q-TOFNo
BacteriaLegionella Pneumophilablood cultureSPME/GC-MS No
BacteriaPaenibacillus Polymyxa E681Tryptic soy agarSPME coupled with GC-MS
FungiAscocoryne Sarcoides NRRL 50072Minimal mediumPTR-MS and SPME GC-MS
FungiMuscodor Albus CZ-620n/aHeadspace sampler/GC-MS
FungiMuscodor Albus CZ-621Headspace sampler/GC-MSYes
FungiMuscodor Crispanspotato dextrose agarSPME-GC-MSYes
FungiPhoma Sp.n/aSolid phase microextraction (SPME)
FungiPhomopsis Sp.PDA mediumSPME-GC/MSYes
FungiTrichoderma AtroviridePotato dextrose agarHS-SPME/GC-MS
FungiTrichoderma VirensPotato dextrose agarHS-SPME/GC-MS
BacteriaArthrobacter Agilis UMCV2LB mediumSPME-GC/MSNo
FungiAspergillus Flavusn/an/a
FungiBoletus Variegatusn/an/a
FungiNeurospora Sitophila ATCC 46892Malt extractHeadspace/gas chromatography
FungiNeurospora Sp.Malt extractHeadspace/gas chromatography
BacteriaBacillus Cereus B-569LB and MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Andropogonis LMG 2129LB, MR-VP and MS Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Anthina LMG 20980LB and MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Caledonica LMG 19076LB and MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Caryophylli LMG 2155LB and MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Cepacia LMG 1222LB and MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Cepacia LMG 1222 358LB and MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)Yes
BacteriaBurkholderia Fungorum LMG 16225LB and MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Gladioli LMG 2216LB and MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Glathei LMG 14190MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Glumae LMG 2196LB and MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Graminis LMG 18924LB and MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Hospita LMG 20598LB and MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Kururiensis LMG 19447LB and MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Lata LMG 22485MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Lata LMG 6993LB and MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Phenazinium LMG 2247LB and MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Phenoliruptrix LMG 22037LB, MR-VP, MS and AngleHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Phytofirmans LMG 22487LB and MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Pyrrocinia LMG 21822LB, MR-VP and MS Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Sacchari LMG 19450LB and MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Sordidicola LMG 22029MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Terricola LMG 20594LB and MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Thailandensis LMG 20219LB and MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Tropica LMG 22274LB, MR-VP, MS and AngleHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Xenovorans LMG 21463LB and MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaCellulomonas UdaLB and MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaChromobacterium Violaceum CV0LB and MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaCitrobacter Freundiitryptic soy broth SPME, GC-MSyes
BacteriaCupriavidus Necator LMG 1199LB Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaEnterobacter AgglomeransTSAcapillary GCno
BacteriaEnterobacter CloacaeHS-SPME/GC-MS
BacteriaEnterobacter Cloacae SM 639AB medium + 1% citrateGC-FID,GC/MS
BacteriaEscherichia ColiBHI Broth/ TS Broth/Glucose EF base brothGC-MS /Polar and non-polar GC Column
BacteriaEscherichia Coli ATCC15547TS brothGC-MS Super Qno
BacteriaEscherichia Coli OP50LB and MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaHaemophilus Influenzaeblood culture mediumSPME-GC-MSno
BacteriaKlebsiella PneumoniaeBHI Broth/ TS Broth/Glucose EF base brothGC-MS /Polar and non-polar GC Column
BacteriaKlebsiella Pneumoniae ATCC 13883LBSPME / GCxGC-TOFMSno
BacteriaL Isteria MonocytogenesHS-SPME/GC-MS
BacteriaLactobacillus CaseiMRS agarGC-IMSyes
BacteriaLactobacillus Lactis Subsp. CremorisMRS agarGC-IMSyes
BacteriaLactobacillus Lactis Subsp. LactisMRS agarGC-IMSyes
BacteriaLactobacillus Paracasei Subsp ParacaseiMRS agarGC-IMSyes
BacteriaLegionella Pneumophilablood culture mediumSPME-GC-MSno
BacteriaLimnobacter Thiooxidans LMG 19593LB, MR-VP and MS Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaMoraxella Catarrhalisblood culture mediumSPME-GC-MSno
BacteriaMycobacterium BovisLoewenstein-Jensen mediaHeadspace analyze / SIFT-MS and TD-GC-MS.
BacteriaPandoraea Norimbergensis LMG 18379MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaPseudomonas AeruginosaHS-SPME/GC-MS
BacteriaPseudomonas ChlororaphisLB and MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaPseudomonas Fluorescens WCS 417rLB and MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaPseudomonas Perolens ATCC 10757Trypticase soil agar (BBL)GC/MS
BacteriaPseudomonas Putida ISOfLB and MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaSalmonella EnteritidisHS-SPME/GC-MS
BacteriaSerratia Entomophilia A1MO2LB and MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaSerratia Marcescens MG1LB and MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaSerratia Plymuthica HRO-C48LB, MR-VP and AngleHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaSerratia Plymuthica IC14LB, MR-VP and AngleHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaSerratia Proteamaculans 42Mn/an/a
BacteriaSerratia Proteamaculans B5aLB, MR-VP and AngleHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaStaphylococcus AureusBHI Broth/ TS Broth/Glucose EF base brothGC-MS /Polar and non-polar GC Column
BacteriaStaphylococcus EpidermidisCLSA, charcoal, GC-MSno
BacteriaStaphylococcus Sciuri869 liquid mediumSPME-GC/MS
BacteriaStenotrophomonas Rhizophilla Ep10-p69LB and MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaStreptomyces Albidoflavus AMI 246n/an/a
BacteriaStreptomyces Albus Subsp. Pathocidicus IFO 13812n/an/a
BacteriaStreptomyces Antibioticus CBS 659.68n/an/a
BacteriaStreptomyces Antibioticus ETH 22014n/an/a
BacteriaStreptomyces Aureofaciens ETH 13387n/an/a
BacteriaStreptomyces Aureofaciens ETH 28832n/an/a
BacteriaStreptomyces Coelicolor ATCC 21666n/an/a
BacteriaStreptomyces Coelicolor DSM 40233n/an/a
BacteriaStreptomyces Diastatochromogenes ETH 18822n/an/a
BacteriaStreptomyces Diastatochromogenes IFO 13814n/an/a
BacteriaStreptomyces Griseus ATCC 23345n/an/a
BacteriaStreptomyces Griseus IFO 13849n/an/a
BacteriaStreptomyces Hirsutus ATCC 19773n/an/a
BacteriaStreptomyces Hirsutus ETH 1666n/an/a
BacteriaStreptomyces Hygroscopicus ATCC 27438n/an/a
BacteriaStreptomyces Hygroscopicus IFO 13255n/an/a
BacteriaStreptomyces Murinus DSM 40091n/an/a
BacteriaStreptomyces Murinus NRRL 8171n/an/a
BacteriaStreptomyces Olivaceus ETH 6445n/an/a
BacteriaStreptomyces Olivaceus ETH 7437n/an/a
BacteriaStreptomyces Rishiriensis AMI 224n/an/a
BacteriaStreptomyces Spp. AMI 240n/an/a
BacteriaStreptomyces Thermoviolaceus CBS 111.62n/an/a
BacteriaThermomonospora Fusca DSM 43792Nutrient agar CM3GC/MS
FungiArmillaria MelleaMelin-Nor krans synthetic medium (modified)Headspace trapping ( using stir bar sorptive extraction )/ GC-MS
FungiAspergillus Candidusyest extract sucroseTenax/GC-MSno
FungiAspergillus Fumigatusyest extract sucroseTenax/GC-MSno
FungiAspergillus Fumigatus Strain FGSC A1163Brian`s broth, AMM, RPMI 1658SPME / GC-MS
FungiAspergillus OrnatusPotato dextrose agarClosedloop stripping analysis and GC/TOF-MS.
FungiAspergillus Versicoloringrain wallpaperGC/MS-SIMYes
FungiAspergillus Versicolor TiraboschiDG18GC/MS
FungiAspergillus Vesicoloryest extract sucroseTenax/GC-MSno
FungiAureobasidium Pullulans FN868849Sabouraud Dextrose AgarGC/FIDYes
FungiCandida Shehataeyeast malt agarSPME, GC-MSyes
FungiChaetomium Globosumingrain wallpaperGC/MS-SIMYes
FungiEmericella Nidulansyest extract sucroseTenax/GC-MSno
FungiEurotium Amstelodamiingrain wallpaperGC/MS-SIMYes
FungiFusarium SpGC-FIDyes
FungiHansenula HolstiiPYGGC-MSno
FungiLaccaria BicolorMelin-Nor krans synthetic medium (modified)Headspace trapping ( using stir bar sorptive extraction )/ GC-MS
FungiMortierella Isabellinamalt extact agardiethyl extraction, GC-MSno
FungiPaecilomyces Variotiiyest extract sucroseTenax/GC-MSno
FungiPaecilomyces Variotii BainDG18,MEAGC/MS
FungiPaxillus Involutus MAJMelin-Nor krans synthetic medium (modified)Headspace trapping ( using stir bar sorptive extraction )/ GC-MS
FungiPaxillus Involutus NAUMelin-Nor krans synthetic medium (modified)Headspace trapping ( using stir bar sorptive extraction )/ GC-MS
FungiPencillium ChrysogenumPotato dextrose agarClosedloop stripping analysis and GC/TOF-MS.Yes
FungiPenicillium Aurantiogriseumn/an/a
FungiPenicillium Brevicompactumingrain wallpaperGC/MS-SIMYes
FungiPenicillium ChrysogenumPotato dextrose agarClosedloop stripping analysis and GC/TOF-MS.
FungiPenicillium Clavigerumyest extract sucroseTenax/GC-MSno
FungiPenicillium Commune PittDG18,MEAGC/MS
FungiPenicillium CorymbiferumGC-FIDyes
FungiPenicillium Crustosumyest extract sucroseTenax/GC-MSno
FungiPenicillium Glabrumyest extract sucroseTenax/GC-MSno
FungiPenicillium Sp.n/an/a
FungiPhialophora Fastigiata ConantDG18GC/MS
FungiPholiota SquarrosaMelin-Nor krans synthetic medium (modified)Headspace trapping ( using stir bar sorptive extraction )/ GC-MS
FungiRhizopus StoloniferPotato dextrose agar and tobacco products.Closedloop stripping analysis and GC/TOF-MS.
FungiSaccharomyces Cerevisiaesynthetic minimal mediumGC-MS, EIyes
FungiSaccharomyces Cerevisiae CR1YEPDAGC/MSno
FungiScolulariopsis BrevicaulisGC-FIDyes
FungiStropharia RugosoannulataMelin-Nor krans synthetic medium (modified)Headspace trapping ( using stir bar sorptive extraction )/ GC-MS
FungiTrichodema PseudokoningiiMalt extract/Low mediumGC/MS
FungiTrichodema VirideLow mediumGC/MS
FungiTrichoderma VirideMelin-Nor krans synthetic medium (modified)Headspace trapping ( using stir bar sorptive extraction )/ GC-MS
FungiTuber Aestivumn/aGas chromatography-olfactometry (GC-O)
FungiTuber Borchiin/an/a
FungiTuber Excavatumn/amicroextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)
FungiTuber Indicumn/an/a
FungiTuber Melanosporumn/aGas chromatography-olfactometry (GC-O)
FungiVerticillium LongisporumMelin-Nor krans synthetic medium (modified)Headspace trapping ( using stir bar sorptive extraction )/ GC-MS
FungiXylaria Sp.PDA mediumSPME-GC/MSYes
FungiAmpelomyces Sp. F-a-3naSPME-GC/MSNo
FungiPhoma Sp. GS8-3naSPME-GC/MSNo
FungiGeotrichum Candidummedium 863SPME-GC-MSyes
BacteriaActinomycetes Spp.n/an/a
BacteriaProteus Hauseri JN092591LB liquidSPME-GC/MS
BacteriaBacillus Amyloliquefaciens UCMB5113naGC/MSNo
BacteriaLactobacillus Rhamnosus LSL 212curd-based broth mediumGC/MSYes
BacteriaSerratia Odorifera DSM 4582NBIIHeadspace trapping/ GC-MS
BacteriaSerratia Proteamaculans 568NBIIHeadspace trapping/ GC-MS
FungiPleurotus Eryngii Var. TuoliensisnaGC/MS, GC-O, AEDANo
BacteriaLactobacillus Casei NCIB 8010n/an/a
BacteriaLactobacillus Plantarum NCIB 6376n/an/a
BacteriaLactococcus Lactis DSM 20202n/an/a
BacteriaLeuconostoc Cremoris DSM 20346n/an/a
BacteriaLeuconostoc Dextranicum DSM 20484n/an/a
BacteriaLeuconostoc Mesenteroides DSM 20343n/an/a
BacteriaLeuconostoc Oenos B66n/an/a
BacteriaLeuconostoc Oenos 19n/an/a
BacteriaLeuconostoc Oenos 30n/an/a
BacteriaLeuconostoc Oenos 36n/an/a
BacteriaLeuconostoc Oenos 37Dn/an/a
BacteriaLeuconostoc Oenos 7Bn/an/a
BacteriaLeuconostoc Oenos DSM 20252n/an/a
BacteriaLeuconostoc Oenos DSM 20255n/an/a
BacteriaLeuconostoc Oenos DSM 20257n/an/a
BacteriaLeuconostoc Oenos Lc5xn/an/a
BacteriaLeuconostoc Paramesenteroides DSM 20288n/an/a
BacteriaPediococcus Damnosus DSM 20331n/an/a
BacteriaProteus Vulgaris Sp.LB mediumSPME-GC/MSNo
BacteriaPseudochrobactrum Asaccharolyticum YMF3·00201LB mediumSPME-GC/MSNo
BacteriaPseudomonas Putida BP25Luria Bertani AgarHeadspace GC/MSNo
BacteriaPseudomonas Putida BP25RTSBPropak Q adsorbent trap/GC-MS
FungiVerticillium Longisporumpotato dextrose agar (PDA), Czapek Dox liquid cultureGC-MS / SPMEno
BacteriaClostridium Sp.n/an/a
BacteriaCoagulase-negative StaphylococciMilkHS-SPME/GC-MS
BacteriaEscherichia ColiGCMS DSQno
BacteriaSerratia Proteamaculans 94LB mediumSPME-GC/MSNo
BacteriaStreptococcus DysgalactiaeMilkHS-SPME/GC-MS
Fungi Chalaropsis Thielaviodesno
FungiTrichoderma VirideMalt extract agar Headspace volatiles collected with colomn/TD-GC-MSYes


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 name2-methylpropan-1-ol
SMILESCC(C)CO
InchiInChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3
Formula(CH3)2CHCH2OH
PubChem ID6560
Molweight74.123
LogP0.73
Atoms15
Bonds14
H-bond Acceptor1
H-bond Donor1
Chemical ClassificationAlcohols

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
PressureReference
10.4 mm Hg at 25 deg CDaubert, 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
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaBacillus Amyloliquefaciens IN937an/aLee et al., 2012
BacteriaBacillus Subtilis GB03n/aLee et al., 2012
BacteriaPaenibacillus Polymyxa E681n/aLee et al., 2012
FungiTuber SimoneaNoneNone March et al., 2006
FungiTuber Aestivumn/aAyme Truffe of Grignan, 26230 France March et al., 2006
FungiTuber Brumalen/aAyme Truffe of Grignan, 26230 France March et al., 2006
FungiTuber Melanosporumn/aAyme Truffe of Grignan, 26230 France March et al., 2006
FungiTuber Mesentericumn/aAyme Truffe of Grignan, 26230 France March et al., 2006
FungiTuber MiesentericumNoneNone March et al., 2006
FungiTuber Rufumn/aAyme Truffe of Grignan, 26230 France March et al., 2006
FungiTuber Simonean/aAyme Truffe of Grignan, 26230 France March et al., 2006
FungiAscocoryne Sarcoides NRRL 50072n/aMallette et al. 2012
FungiMuscodor Albus CZ-620n/aCorcuff et al., 2011
FungiMuscodor CrispansWild pineapple plant, Ananas ananassoidesMitchell et al., 2010
FungiPhoma Sp.n/aStrobel et al., 2014
FungiPhomopsis Sp.naendophyte of Odontoglossum sp.Singh et al., 2011
FungiPenicillium Glabrumcompost Fischer et al. 2054
BacteriaEnterobacter Cloacae SM 639naubiquitary,intestinalSchoeller et al., 1997
BacteriaMycobacterium Bovisn/aMCNerney et al., 2014
BacteriaSerratia Spp. B2675n/aBruce et al., 2004
BacteriaSerratia Spp. B675n/aBruce et al., 2004
BacteriaStreptomyces Albidoflavus AMI 246n/aSchoeller et al., 2002
BacteriaStreptomyces Antibioticus CBS 659.68n/aSchoeller et al., 2002
BacteriaStreptomyces Antibioticus ETH 22014n/aSchoeller et al., 2002
BacteriaStreptomyces Aureofaciens ETH 13387n/aSchoeller et al., 2002
BacteriaStreptomyces Aureofaciens ETH 28832n/aSchoeller et al., 2002
BacteriaStreptomyces Coelicolor ATCC 21666n/aSchoeller et al., 2002
BacteriaStreptomyces Coelicolor DSM 40233n/aSchoeller et al., 2002
BacteriaStreptomyces Diastatochromogenes ETH 18822n/aSchoeller et al., 2002
BacteriaStreptomyces Diastatochromogenes IFO 13814n/aSchoeller et al., 2002
BacteriaStreptomyces Griseus ATCC 23345n/aSchoeller et al., 2002
BacteriaStreptomyces Griseus IFO 13849n/aSchoeller et al., 2002
BacteriaStreptomyces Hirsutus ETH 1666n/aSchoeller et al., 2002
BacteriaStreptomyces Murinus NRRL 8171n/aSchoeller et al., 2002
BacteriaStreptomyces Olivaceus ETH 6445n/aSchoeller et al., 2002
BacteriaStreptomyces Olivaceus ETH 7437n/aSchoeller et al., 2002
BacteriaStreptomyces Rishiriensis AMI 224n/aSchoeller et al., 2002
BacteriaStreptomyces Thermoviolaceus CBS 111.62n/aSchoeller et al., 2002
BacteriaThermoactinomyces Vulgaris DSM 43016nasoilWilkins, 1996
BacteriaThermomonospora Fusca DSM 43792nasoilWilkins, 1996
FungiAspergillus Candiduscompost Fischer et al. 2054
FungiAspergillus Versicolor Tiraboschinadamp indoor environments, food productsSunesson et al., 1995
FungiCandida Shehataecacti, fruits, insects, natural habitatsNout and Bartelt 1998
FungiGeotrichium CandidumSchnürer et al. 1999
FungiMortierella Isabellinamor horizon of a spruce forest soil southeastern SwedenBengtsson et al 1991
FungiPaecilomyces Variotiicompost Fischer et al. 2054
FungiPaecilomyces Variotii Bainnacompost, soils, food productsSunesson et al., 1995
FungiPenicillium Aurantiogriseumn/aBoerjesson et al., 1990
FungiPenicillium Commune Pittnain dry-cured meat products, cheeseSunesson et al., 1995
FungiPenicillium RoquefortiSchnürer et al. 1999
FungiPleurotus Eryngii Var. TuoliensisnanaUsami et al., 2014
FungiRhizoctonia Solani AG2-2 IIIBcollection of the Sugar Beet Research Institute, Bergen op Zoom, The NetherlandsCordovez et al. 2017
FungiSaccharomyces Cerevisiaegrape vineBecher et al. 2012
FungiSaccharomyces Cerevisiae Y1001n/aBruce et al., 2004
FungiTrichodema Pseudokoningiin/aWheatley et al., 1997
FungiTrichodema Viriden/aWheatley et al., 1997
FungiTuber Aestivumn/aProf. Mattia Bentivenga (Università di Perugia, Perugia, Italy) and in the fortywoodland of the Basilicata regionMauriello et al., 2004
FungiTuber Borchiin/aProf. MattiaProf. Mattia Bentivenga (Università di Perugia, Perugia, Italy) and in the fortywoodland of the Basilicata region Bentivenga (Università di Perugia, Perugia, Italy) and in the fortywoodland of the Basilicata regionMauriello et al., 2004
FungiTuber Brumalen/aProf. Mattia Bentivenga (Università di Perugia, Perugia, Italy) and in the fortywoodland of the Basilicata regionMauriello et al., 2004
FungiTuber Excavatumn/aProf. Mattia Bentivenga (Università di Perugia, Perugia, Italy) and in the fortywoodland of the Basilicata regionMauriello et al., 2004
FungiTuber Indicumn/aSplivallo et al., 2007
FungiTuber Melanosporumn/aSplivallo et al., 2007
FungiXylaria Sp.phytotoxic on the seed germination, root elongation and seedling respiration of Am. Hypochondriacus and S. lycopersicumHaematoxylon brasiletto, Morelos, MexicoSánchez-Ortiz et al., 2016
FungiGeotrichum Candidumcompost mixed with milky fermented productZirbes et al. 2012
FungiAmpelomyces Sp. F-a-3nanaNaznin et al., 2014
FungiPhoma Sp. GS8-3nanaNaznin et al., 2014
BacteriaActinomycetes Spp.n/aSchulz and Dickschat, 2007
BacteriaLeuconostoc Lactis CIRM1451nacow cheesePogačić et al., 2016
FungiAspergillus Fumigatuscompost Fischer et al. 2054
FungiEmericella Nidulanscompost Fischer et al. 2054
FungiPenicillium Brevicompactumcompost Fischer et al. 2054
FungiPenicillium Clavigerumcompost Fischer et al. 2054
FungiPenicillium Crustosumcompost Fischer et al. 2054
FungiPenicillium Cyclopiumcompost Fischer et al. 2054
BacteriaClostridium Sp.n/aStotzky and Schenk, 1976
BacteriaLactobacillus Casei NCIB 8010n/aTracey and Britz, 1989
BacteriaLactobacillus Plantarum NCIB 6376n/aTracey and Britz, 1989
BacteriaLactococcus Lactis DSM 20202n/aTracey and Britz, 1989
BacteriaLeuconostoc Cremoris DSM 20346n/aTracey and Britz, 1989
BacteriaLeuconostoc Dextranicum DSM 20484n/aTracey and Britz, 1989
BacteriaLeuconostoc Mesenteroides DSM 20343n/aTracey and Britz, 1989
BacteriaLeuconostoc Oenos B66n/aTracey and Britz, 1989
BacteriaLeuconostoc Oenos 19n/aTracey and Britz, 1989
BacteriaLeuconostoc Oenos 30n/aTracey and Britz, 1989
BacteriaLeuconostoc Oenos 36n/aTracey and Britz, 1989
BacteriaLeuconostoc Oenos 37Dn/aTracey and Britz, 1989
BacteriaLeuconostoc Oenos 7Bn/aTracey and Britz, 1989
BacteriaLeuconostoc Oenos DSM 20252n/aTracey and Britz, 1989
BacteriaLeuconostoc Oenos DSM 20255n/aTracey and Britz, 1989
BacteriaLeuconostoc Oenos DSM 20257n/aTracey and Britz, 1989
BacteriaLeuconostoc Oenos Lc5xn/aTracey and Britz, 1989
BacteriaLeuconostoc Paramesenteroides DSM 20288n/aTracey and Britz, 1989
BacteriaPediococcus Damnosus DSM 20331n/aTracey and Britz, 1989
FungiAlternaria Alternata(Fr.)Keissler (DSMZ 62006) Coculture With Fusarium Oxysporum F. Aechmeae(Fr.)Schltdl. (DSMZ 62297)DSMZWeikl et al. 2016
FungiBoletus VariegatusInhibited growth and sporulation of Aspergillus niger.Stotzky and Schenk, 1976
Fungi Chalaropsis ThielaviodesCollins 1960
FungiFomes Sp.Inhibited growth and sporulation of Aspergillus niger.Stotzky and Schenk, 1976
FungiSaccharomyces CerevisiaeInhibited growth and sporulation of Aspergillus niger.Stotzky and Schenk, 1976
FungiVerticillium Longisporumcollection TU GrazRybakova et al. 2017
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaBacillus Amyloliquefaciens IN937aTryptic soy agarSPME coupled with GC-MS
BacteriaBacillus Subtilis GB03Tryptic soy agarSPME coupled with GC-MS
BacteriaPaenibacillus Polymyxa E681Tryptic soy agarSPME coupled with GC-MS
FungiTuber SimoneaNonePressure balanced head-space sampling and GC/TOF-MSNo
FungiTuber Aestivumn/aPressure balanced head-space sampling and GC/TOF-MS
FungiTuber Brumalen/aPressure balanced head-space sampling and GC/TOF-MS
FungiTuber Melanosporumn/aPressure balanced head-space sampling and GC/TOF-MS
FungiTuber Mesentericumn/aPressure balanced head-space sampling and GC/TOF-MS
FungiTuber MiesentericumNonePressure balanced head-space sampling and GC/TOF-MSNo
FungiTuber Rufumn/aPressure balanced head-space sampling and GC/TOF-MS
FungiTuber Simonean/aPressure balanced head-space sampling and GC/TOF-MS
FungiAscocoryne Sarcoides NRRL 50072Minimal mediumPTR-MS and SPME GC-MS
FungiMuscodor Albus CZ-620n/aHeadspace sampler/GC-MS
FungiMuscodor Crispanspotato dextrose agarSPME-GC-MSYes
FungiPhoma Sp.n/aSolid phase microextraction (SPME)
FungiPhomopsis Sp.PDA mediumSPME-GC/MSYes
FungiPenicillium Glabrumyest extract sucroseTenax/GC-MSno
BacteriaEnterobacter Cloacae SM 639AB medium + 1% citrateGC-FID,GC/MS
BacteriaMycobacterium BovisLoewenstein-Jensen mediaHeadspace analyze / SIFT-MS and TD-GC-MS.
BacteriaSerratia Spp. B2675n/an/a
BacteriaSerratia Spp. B675n/an/a
BacteriaStreptomyces Albidoflavus AMI 246Emmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MS
BacteriaStreptomyces Antibioticus CBS 659.68Emmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MS
BacteriaStreptomyces Antibioticus ETH 22014Emmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MS
BacteriaStreptomyces Aureofaciens ETH 13387Emmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MS
BacteriaStreptomyces Aureofaciens ETH 28832Emmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MS
BacteriaStreptomyces Coelicolor ATCC 21666Emmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MS
BacteriaStreptomyces Coelicolor DSM 40233Emmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MS
BacteriaStreptomyces Diastatochromogenes ETH 18822Emmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MS
BacteriaStreptomyces Diastatochromogenes IFO 13814Emmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MS
BacteriaStreptomyces Griseus ATCC 23345Emmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MS
BacteriaStreptomyces Griseus IFO 13849Emmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MS
BacteriaStreptomyces Hirsutus ETH 1666Emmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MS
BacteriaStreptomyces Murinus NRRL 8171Emmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MS
BacteriaStreptomyces Olivaceus ETH 6445Emmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MS
BacteriaStreptomyces Olivaceus ETH 7437Emmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MS
BacteriaStreptomyces Rishiriensis AMI 224Emmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MS
BacteriaStreptomyces Thermoviolaceus CBS 111.62Emmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MS
BacteriaThermoactinomyces Vulgaris DSM 43016Nutrient agar CM3GC/MS
BacteriaThermomonospora Fusca DSM 43792Nutrient agar CM3GC/MS
FungiAspergillus Candidusyest extract sucroseTenax/GC-MSno
FungiAspergillus Versicolor TiraboschiDG18GC/MS
FungiCandida Shehataeyeast malt agarSPME, GC-MSyes
FungiGeotrichium Candidummalt 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-MSno
FungiMortierella Isabellinamalt extact agardiethyl extraction, GC-MSno
FungiPaecilomyces Variotiiyest extract sucroseTenax/GC-MSno
FungiPaecilomyces Variotii BainDG18,MEAGC/MS
FungiPenicillium Aurantiogriseumn/an/a
FungiPenicillium Commune PittDG18GC/MS
FungiPenicillium Roquefortimalt extract agar with 0.5-1.0% acetic acidTenaxGC,Chromosorb,HS-SPME, GC-MSno
FungiPleurotus Eryngii Var. TuoliensisnaGC/MS, GC-O, AEDANo
FungiRhizoctonia Solani AG2-2 IIIBPotato Dextrose Agar1Tenax TA / TDGC-MSyes
FungiSaccharomyces Cerevisiaesynthetic minimal mediumGC-MS, EIyes
FungiSaccharomyces Cerevisiae Y1001n/an/a
FungiTrichodema PseudokoningiiMalt extract/Low mediumGC/MS
FungiTrichodema VirideLow mediumGC/MS
FungiTuber Aestivumn/amicroextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)
FungiTuber Borchiin/amicroextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)
FungiTuber Brumalen/amicroextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)
FungiTuber Excavatumn/amicroextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)
FungiTuber Indicumn/an/a
FungiTuber Melanosporumn/an/a
FungiXylaria Sp.PDA mediumSPME-GC/MSYes
FungiGeotrichum Candidummedium 863SPME-GC-MSyes
FungiAmpelomyces Sp. F-a-3naSPME-GC/MSNo
FungiPhoma Sp. GS8-3naSPME-GC/MSNo
BacteriaActinomycetes Spp.n/an/a
BacteriaLeuconostoc Lactis CIRM1451curd-based broth mediumGC/MSYes
FungiAspergillus Fumigatusyest extract sucroseTenax/GC-MSno
FungiEmericella Nidulansyest extract sucroseTenax/GC-MSno
FungiPenicillium Brevicompactumyest extract sucroseTenax/GC-MSno
FungiPenicillium Clavigerumyest extract sucroseTenax/GC-MSno
FungiPenicillium Crustosumyest extract sucroseTenax/GC-MSno
FungiPenicillium Cyclopiumyest extract sucroseTenax/GC-MSno
BacteriaClostridium Sp.n/an/a
BacteriaLactobacillus Casei NCIB 8010n/an/a
BacteriaLactobacillus Plantarum NCIB 6376n/an/a
BacteriaLactococcus Lactis DSM 20202n/an/a
BacteriaLeuconostoc Cremoris DSM 20346n/an/a
BacteriaLeuconostoc Dextranicum DSM 20484n/an/a
BacteriaLeuconostoc Mesenteroides DSM 20343n/an/a
BacteriaLeuconostoc Oenos B66n/an/a
BacteriaLeuconostoc Oenos 19n/an/a
BacteriaLeuconostoc Oenos 30n/an/a
BacteriaLeuconostoc Oenos 36n/an/a
BacteriaLeuconostoc Oenos 37Dn/an/a
BacteriaLeuconostoc Oenos 7Bn/an/a
BacteriaLeuconostoc Oenos DSM 20252n/an/a
BacteriaLeuconostoc Oenos DSM 20255n/an/a
BacteriaLeuconostoc Oenos DSM 20257n/an/a
BacteriaLeuconostoc Oenos Lc5xn/an/a
BacteriaLeuconostoc Paramesenteroides DSM 20288n/an/a
BacteriaPediococcus Damnosus DSM 20331n/an/a
FungiAlternaria Alternata(Fr.)Keissler (DSMZ 62006) Coculture With Fusarium Oxysporum F. Aechmeae(Fr.)Schltdl. (DSMZ 62297)malt extract agarSBSE-GC-MSno
FungiBoletus Variegatusn/an/a
Fungi Chalaropsis Thielaviodesno
FungiFomes Sp.n/an/a
FungiSaccharomyces Cerevisiaen/an/a
FungiVerticillium Longisporumpotato dextrose agar (PDA), Czapek Dox liquid cultureGC-MS / SPMEno


Chloromethane

Mass-Spectra

Compound Details

Synonymous names
Chloromethylated stryene/divinylbenzene copolymer
Chloromethylated divinylbenzene cross-linked polystyrene
Chloromethylated polystyrene
Chloromethylated styrene-divinylbenzene resin
Monochloromethane
Polystyrene crosslinked with divinylbenzene, chloromethylated
Methylchloride
Chlorocarbon
Chloromethane
Chloromethane solution
Chloromethyne radical
Methylchlorid
Clorometano
NEHMKBQYUWJMIP-UHFFFAOYSA-N
(Chloromethyl)polystyrene
Merrifield inverted exclamation markas peptide resin
METHYL CHLORIDE
methyl-chloride
Artic
Chloor-methaan
MeCl
Metylu chlorek
Chlor-methan
Copolymer of styrene and divinylbenzene, chloromethylated
CH3Cl
Chloromethane on Rasta Resin
Chlorure de methyle
JandaJel™-Cl
AC1O5DVN
Cloruro di metile
Merrifield inverted exclamation mark s peptide resin
Refrigerant R40
StratoSpheres™ PL-CMS resin
Clorometano [Italian]
Methylchlorid [German]
AC1L1MA6
Poly(styrene-co-vinylbenzyl chloride-co-divinylbenzene)
Freon 40
Methane, chloro-
Chloor-methaan [Dutch]
Metylu chlorek [Polish]
UN1063
Chlor-methan [German]
CTK2H7703
HSDB 883
R 40
R-40
CHEMBL117545
Chlorure de methyle [French]
Cloruro di metile [Italian]
A6R43525YO
C19446
CCRIS 1124
Chloromethane, >=99.5%
RCRA waste number U045
DTXSID0021541
LS-1633
OR000106
OR336863
UN 1063
CHEBI:36014
UNII-A6R43525YO
Caswell No. 557
Chloromethane 1.0 M in diethyl ether
MFCD00000872
AI3-01707
LT02467777
Chloromethane 1M, in tert-butyl methyl ether, anhydrous
EPA Pesticide Chemical Code 053202
RCRA waste no. U045
FT-0628715
Methyl chloride, or Refrigerant gas R 40
74-87-3
Chloromethane solution, 1.0 M in diethyl ether
Chloromethane solution, 200 mug/mL in methanol, analytical standard
InChI=1/CH3Cl/c1-2/h1H
Merrifield's peptide resin, 50-100 mesh
2108-20-5
Merrifield's peptide resin, 200-400 mesh
EINECS 200-817-4
Chloromethane on Rasta Resin, 50-100 mesh
Chloromethane solution, 1.0 M in tert-butyl methyl ether, anhydrous
MolPort-001-759-971
(Chloromethyl)polystyrene, extent of labeling: ~1.1 mmol/g Cl loading
(Chloromethyl)polystyrene, extent of labeling: ~1.7 mmol/g Cl loading
(Chloromethyl)polystyrene, porous, extent of labeling: ~5.5 mmol/g Cl loading
Methyl chloride, or Refrigerant gas R 40 [UN1063] [Flammable gas]
Methyl chloride, or Refrigerant gas R 40 [UN1063] [Flammable gas]
StratoSpheres(TM) PL-CMS resin, 30-40 mesh, extent of labeling: 1.0 mmol/g loading, 1 % cross-linked
StratoSpheres(TM) PL-CMS resin, 30-40 mesh, extent of labeling: 2.0 mmol/g loading, 1 % cross-linked
StratoSpheres(TM) PL-CMS resin, 50-100 mesh, extent of labeling: 2.0 mmol/g loading, 1 % cross-linked
StratoSpheres(TM) PL-CMS resin, 50-100 mesh, extent of labeling: 4.0 mmol/g loading, 1 % cross-linked
StratoSpheres(TM) PL-CMS resin, 100-200 mesh, extent of labeling: 1.0 mmol/g loading, 1 % cross-linked
StratoSpheres(TM) PL-CMS resin, 100-200 mesh, extent of labeling: 2.0 mmol/g loading, 1 % cross-linked
StratoSpheres(TM) PL-CMS resin, 200-400 mesh, extent of labeling: 1.0 mmol/g loading, 1 % cross-linked
Merrifield's peptide resin, 70-90 mesh, extent of labeling: 1.0-1.5 mmol/g Cl- loading, 1 % cross-linked
Merrifield's peptide resin, 70-90 mesh, extent of labeling: 1.5-2.0 mmol/g Cl- loading, 1 % cross-linked
Merrifield's peptide resin, 50-100 mesh, extent of labeling: 2.5-4.0 mmol/g Cl- loading, 1 % cross-linked with divinylbenzene
Merrifield's peptide resin, 100-200 mesh, extent of labeling: 3.5-4.5 mmol/g Cl- loading, 1 % cross-linked
Merrifield's peptide resin, 200-400 mesh, extent of labeling: 1.0-1.5 mmol/g Cl- loading, 2 % cross-linked
Merrifield's peptide resin, 200-400 mesh, extent of labeling: 1.5-2.0 mmol/g Cl- loading, 1 % cross-linked
Merrifield's peptide resin, 200-400 mesh, extent of labeling: 2.0-2.5 mmol/g Cl- loading, 2 % cross-linked
Merrifield's peptide resin, 200-400 mesh, extent of labeling: 3.0-3.5 mmol/g Cl- loading, 1 % cross-linked
Merrifield's peptide resin, 200-400 mesh, extent of labeling: 3.5-4.5 mmol/g Cl- loading, 1 % cross-linked
JandaJel(TM)-Cl, 100-200 mesh, extent of labeling: 0.8-1.2 mmol/g Cl loading, 2 % cross-linked
JandaJel(TM)-Cl, 50-100 mesh, extent of labeling: 0.45-0.70 mmol/g Cl loading, 2 % cross-linked
JandaJel(TM)-Cl, 200-400 mesh, extent of labeling: 0.45-0.70 mmol/g Cl loading, 2 % cross-linked
IUPAC namechloromethane
SMILESCCl
InchiInChI=1S/CH3Cl/c1-2/h1H3
FormulaCH3Cl
PubChem ID6327
Molweight50.49
LogP0.84
Atoms5
Bonds4
H-bond Acceptor0
H-bond Donor0
Chemical ClassificationChlorides halogenated compounds

mVOC Specific Details

Volatilization
The Henry's Law constant for methyl chloride is 8.82X10-3 atm-cu m/mole(1). This Henry's Law constant indicates that methyl chloride is expected to volatilize rapidly 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 2.1 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 2.8 days(SRC). Methyl chloride's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). Methyl chloride is expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 4,300 mm Hg at 25 deg C(3).
Literature: (1) Gossett JM; Environ Sci Technol 21: 202-8 (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. Design Inst Phys Prop Data, Amer Inst Chem Eng. NY,NY: Hemisphere Pub. Corp 4 Vol (1989)
Literature: #The volatilization half-life for 1 ppm methyl chloride from a stirred beaker 6.5 cm deep is 27.6 min(1) which converts to a half-life at a 1 m depth of 7.1 hr(SRC). According to a mathematical model, the cumulative volatilization loss of methyl chloride during the first year after placement 1 m beneath the ground, assuming no water evaporation, is 66.9% and 22.3% for sandy and clay soil, respectively(2). When the buried methyl chloride is subject to 0.1 cm/day of steady upward water flow (water evaporation) the cumulative loss at the end of a year is 77.0% for sandy soil and 42.7% for clay soil(SRC).
Literature: (1) Dilling WL; Environ Sci Technol (1977) (2) Jury WA et al; Water Resources Res 26: 13-20 (1990)
Soil Adsorption
Using a structure estimation method based on molecular connectivity indices(1), the Koc for methyl chloride can be estimated to be 13(SRC). According to a classification scheme(2), this estimated Koc value suggests that methyl chloride 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 Jan 19, 2016: http://www2.epa.gov/tsca-screening-tools (2) Swann RL et al; Res Rev 85: 17-28 (1983)
Vapor Pressure
PressureReference
4300 mm Hg at 25 deg CDaubert, T.E., R.P. Danner. Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, D.C.: Taylor and Francis, 1989.

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaBacillus Subtilis GB03n/aLee et al., 2012
FungiFomes Sp.n/aStotzky and Schenk, 1976
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaBacillus Subtilis GB03Tryptic soy agarSPME coupled with GC-MS
FungiFomes Sp.n/an/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 name2-methylbuta-1,3-diene
SMILESCC(=C)C=C
InchiInChI=1S/C5H8/c1-4-5(2)3/h4H,1-2H2,3H3
FormulaC5H8
PubChem ID6557
Molweight68.119
LogP1.88
Atoms13
Bonds12
H-bond Acceptor0
H-bond Donor0
Chemical ClassificationAlkenes

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
PressureReference
550 mm Hg at 25 deg CZwolinski 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
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaPedobacter Sp. V48narhizosphere of Marram grass in sandy dune soils, NetherlandsGarbeva et al., 2014
BacteriaBurkholderia Sp. AD24bacterial interationsrhizosphere and bulk soil of Carex arenariaTyc et al. 2017
BacteriaPaenibacillus Sp. AD87bacterial interationsrhizosphere and bulk soil of Carex arenariaTyc et al. 2017
FungiTuber Borchiin/aFortywoodland of the Basilicata regionMauriello et al., 2004
FungiTuber Mesentericumn/aFortywoodland of the Basilicata regionMauriello et al., 2004
BacteriaAMI 386protection against heat stress, stabilizes cell membranes in response to heat stressbreathing zone of a waste collection workerWilkins, 1996
BacteriaBacillus Amyloliquefaciens IN937an/aLee et al., 2012
BacteriaBacillus Spp.n/aSchulz and Dickschat, 2007
BacteriaBacillus Subtilis GB03n/aLee et al., 2012
BacteriaEnterobacter Cloacae SM 639protection against heat stress, stabilizes cell membranes in response to heat stressubiquitary,intestinalSchoeller et al., 1997
BacteriaPaenibacillus Polymyxa E681n/aLee et al., 2012
BacteriaPseudomonas Aeruginosa ATCC 10145protection against heat stress, stabilizes cell membranes in response to heat stresssoil, water, skin floraSchoeller et al., 1997
BacteriaPseudomonas Fluorescens R2Fprotection against heat stress, stabilizes cell membranes in response to heat stresssoil, water, plantsSchoeller et al., 1997
BacteriaPseudomonas Putida KT 2442protection against heat stress, stabilizes cell membranes in response to heat stressnaSchoeller et al., 1997
BacteriaPseudonocardia Sp.n/aSchulz and Dickschat, 2007
BacteriaPseudonocardia Thermophila DSM 43832protection against heat stress, stabilizes cell membranes in response to heat stresssoilWilkins, 1996
BacteriaSaccharomonospora Rectivirgula DSM 43113protection against heat stress, stabilizes cell membranes in response to heat stresssoilWilkins, 1996
BacteriaSaccharomonospora Sp.n/aSchulz and Dickschat, 2007
BacteriaSaccharomonospora Viridis DSM 43017protection against heat stress, stabilizes cell membranes in response to heat stresssoilWilkins, 1996
BacteriaSerratia Liquefaciens SM 1302protection against heat stress, stabilizes cell membranes in response to heat stresssoil, water, plants; digestive tracts of rodents, insects, fish, humansSchoeller et al., 1997
BacteriaStreptomyces Albidoflavus AMI 246n/aSchoeller et al., 2002
BacteriaStreptomyces Antibioticus CBS 659.68n/aSchoeller et al., 2002
BacteriaStreptomyces Antibioticus ETH 22014n/aSchoeller et al., 2002
BacteriaStreptomyces Aureofaciens ETH 13387n/aSchoeller et al., 2002
BacteriaStreptomyces Aureofaciens ETH 28832n/aSchoeller et al., 2002
BacteriaStreptomyces Coelicolor ATCC 21666n/aSchoeller et al., 2002
BacteriaStreptomyces Coelicolor DSM 40233n/aSchoeller et al., 2002
BacteriaStreptomyces Diastatochromogenes ETH 18822n/aSchoeller et al., 2002
BacteriaStreptomyces Diastatochromogenes IFO 13814n/aSchoeller et al., 2002
BacteriaStreptomyces Griseus ATCC 23345n/aSchoeller et al., 2002
BacteriaStreptomyces Griseus IFO 13849n/aSchoeller et al., 2002
BacteriaStreptomyces Griseus Subsp. Griseus DSM 40236protection against heat stress, stabilizes cell membranes in response to heat stresssoilWilkins, 1996
BacteriaStreptomyces Hirsutus ATCC 19773n/aSchoeller et al., 2002
BacteriaStreptomyces Hirsutus ETH 1666n/aSchoeller et al., 2002
BacteriaStreptomyces Hygroscopicus ATCC 27438n/aSchoeller et al., 2002
BacteriaStreptomyces Hygroscopicus IFO 13255n/aSchoeller et al., 2002
BacteriaStreptomyces Murinus DSM 40091n/aSchoeller et al., 2002
BacteriaStreptomyces Murinus NRRL 8171n/aSchoeller et al., 2002
BacteriaStreptomyces Rishiriensis AMI 224n/aSchoeller et al., 2002
BacteriaStreptomyces Spp.n/aSchulz and Dickschat, 2007
BacteriaStreptomyces Spp. AMI 240n/aSchoeller et al., 2002
BacteriaStreptomyces Spp. AMI 243n/aSchoeller et al., 2002
BacteriaStreptomyces Thermoviolaceus CBS 111.62n/aSchoeller et al., 2002
BacteriaStreptomyces Thermoviolaceus IFO 12382n/aSchoeller et al., 2002
BacteriaThermoactinomyces Spp.n/aSchulz and Dickschat, 2007
BacteriaThermoactinomyces Vulgaris DSM 43016protection against heat stress, stabilizes cell membranes in response to heat stresssoilWilkins, 1996
BacteriaThermomonospora Fusca DSM 43792protection against heat stress, stabilizes cell membranes in response to heat stresssoilWilkins, 1996
BacteriaThermomonospora Sp.n/aSchulz and Dickschat, 2007
FungiAspergillus Fumigatus Strain FGSC A1163Heddergott et al. 2014
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaPedobacter Sp. V48sand containing artificial root exudatesGC/MSNo
BacteriaBurkholderia Sp. AD24TSBAGC-Q-TOFno
BacteriaPaenibacillus Sp. AD87TSBAGC-Q-TOFno
FungiTuber Borchiin/amicroextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)
FungiTuber Mesentericumn/amicroextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)
BacteriaAMI 386Nutrient agar CM3 + 50mg/l actidioneGC/MS
BacteriaBacillus Amyloliquefaciens IN937aTryptic soy agarSPME coupled with GC-MS
BacteriaBacillus Spp.n/an/a
BacteriaBacillus Subtilis GB03Tryptic soy agarSPME coupled with GC-MS
BacteriaEnterobacter Cloacae SM 639AB medium + 1% citrateGC-FID,GC/MS
BacteriaPaenibacillus Polymyxa E681Tryptic soy agarSPME coupled with GC-MS
BacteriaPseudomonas Aeruginosa ATCC 10145AB medium + 1% citrateGC-FID,GC/MS
BacteriaPseudomonas Fluorescens R2FAB medium + 1% citrateGC-FID,GC/MS
BacteriaPseudomonas Putida KT 2442AB medium + 1% citrate or 0,02% citrate or 1% glucose +1% casaminoacid GC-FID,GC/MS
BacteriaPseudonocardia Sp.n/an/a
BacteriaPseudonocardia Thermophila DSM 43832Nutrient agar CM3GC/MS
BacteriaSaccharomonospora Rectivirgula DSM 43113Nutrient agar CM3GC/MS
BacteriaSaccharomonospora Sp.n/an/a
BacteriaSaccharomonospora Viridis DSM 43017Nutrient agar CM3GC/MS
BacteriaSerratia Liquefaciens SM 1302AB medium + 1% citrateGC-FID,GC/MS
BacteriaStreptomyces Albidoflavus AMI 246Emmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MS
BacteriaStreptomyces Antibioticus CBS 659.68Emmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MS
BacteriaStreptomyces Antibioticus ETH 22014Emmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MS
BacteriaStreptomyces Aureofaciens ETH 13387Emmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MS
BacteriaStreptomyces Aureofaciens ETH 28832Emmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MS
BacteriaStreptomyces Coelicolor ATCC 21666Emmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MS
BacteriaStreptomyces Coelicolor DSM 40233Emmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MS
BacteriaStreptomyces Diastatochromogenes ETH 18822Emmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MS
BacteriaStreptomyces Diastatochromogenes IFO 13814Emmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MS
BacteriaStreptomyces Griseus ATCC 23345Emmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MS
BacteriaStreptomyces Griseus IFO 13849Emmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MS
BacteriaStreptomyces Griseus Subsp. Griseus DSM 40236Nutrient agar CM3GC/MS
BacteriaStreptomyces Hirsutus ATCC 19773Emmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MS
BacteriaStreptomyces Hirsutus ETH 1666Emmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MS
BacteriaStreptomyces Hygroscopicus ATCC 27438Emmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MS
BacteriaStreptomyces Hygroscopicus IFO 13255Emmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MS
BacteriaStreptomyces Murinus DSM 40091Emmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MS
BacteriaStreptomyces Murinus NRRL 8171Emmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MS
BacteriaStreptomyces Rishiriensis AMI 224Emmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MS
BacteriaStreptomyces Spp.n/an/a
BacteriaStreptomyces Spp. AMI 240Emmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MS
BacteriaStreptomyces Spp. AMI 243Emmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MS
BacteriaStreptomyces Thermoviolaceus CBS 111.62Emmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MS
BacteriaStreptomyces Thermoviolaceus IFO 12382Emmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MS
BacteriaThermoactinomyces Spp.n/an/a
BacteriaThermoactinomyces Vulgaris DSM 43016Nutrient agar CM3GC/MS
BacteriaThermomonospora Fusca DSM 43792Nutrient agar CM3GC/MS
BacteriaThermomonospora Sp.n/an/a
FungiAspergillus Fumigatus Strain FGSC A1163Brian`s broth, AMM, RPMI 1640SPME / 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 namebutan-2-one
SMILESCCC(=O)C
InchiInChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3
FormulaCH3COCH2CH3
PubChem ID6569
Molweight72.107
LogP0.81
Atoms13
Bonds12
H-bond Acceptor1
H-bond Donor0
Chemical ClassificationKetones

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
PressureReference
90.6 mm Hg at 25 deg CAlarie Y et al; Toxicol Appl Pharmacol 134: 92-99 (1995)
MS-Links
1D-NMR-Links

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaAMI 386nabreathing zone of a waste collection workerWilkins, 1996
BacteriaBacillus Amyloliquefaciens IN937an/aLee et al., 2012
BacteriaBacillus Cereus YMF3·00019nanaSu et al., 2016
BacteriaBacillus Subtilis GB03n/aLee et al., 2012
BacteriaBrevibacterium Epidermidis YMF3·00155nanaSu et al., 2016
BacteriaCitrobacter FreundiiAmerican Type Culture Collection Robacker and Bartelt 1997
BacteriaCoagulase Negative Staphylococcimilk of cowsHettinga et al 2010
BacteriaEscherichia ColiNational collection of type cultures (NCTC) UKTait et al., 2014
BacteriaKlebsiella PneumoniaeAmerican Type Culture Collection Robacker and Bartelt 1997
BacteriaLactobacillus Caseifermented milkGallegos et al. 2017
BacteriaLactobacillus Lactis Subsp. CremorisSpanish strain collection CECTGallegos et al. 2017
BacteriaLactobacillus Lactis Subsp. LactisSpanish strain collection CECTGallegos et al. 2017
BacteriaLactobacillus Paracasei Subsp ParacaseiSpanish strain collection CECTGallegos et al. 2017
BacteriaLactobacillus Sakei CIRM467TnaSake starterPogačić et al., 2016
BacteriaPaenibacillus Polymyxa E681n/aLee et al., 2012
BacteriaProteus Penneri YMF3·00016nanaSu et al., 2016
BacteriaProteus Vulgaris Sp.nanaSu et al., 2016
BacteriaPseudochrobactrum Asaccharolyticum YMF3·00201nanaSu et al., 2016
BacteriaSaccharomonospora Rectivirgula DSM 43113nasoilWilkins, 1996
BacteriaSaccharomonospora Viridis DSM 43017nasoilWilkins, 1996
BacteriaSalmonella Enterican/aBunge et al., 2008
BacteriaSerratia Spp. B2675n/aBruce et al., 2004
BacteriaSerratia Spp. B675n/aBruce et al., 2004
BacteriaStaphylococcus Aureusmilk of cowsHettinga et al 2010
BacteriaStreptococcus Dysgalactiaemilk of cowsHettinga et al 2010
BacteriaStreptococcus Uberismilk of cowsHettinga et al 2010
BacteriaThermoactinomyces Vulgaris DSM 43016nasoilWilkins, 1996
BacteriaThermomonospora Fusca DSM 43792nasoilWilkins, 1996
FungiCandida Tropicalisn/aBunge et al., 2008
FungiMuscodor Crispansn/aMitchell et al., 2010
FungiPaecilomyces Variotii Bainnacompost, soils, food productsSunesson et al., 1995
FungiPenicillium Commune Pittnain dry-cured meat products, cheeseSunesson et al., 1995
FungiPhialophora Fastigiata ConantnanaSunesson et al., 1995
FungiPhoma Sp.n/aStrobel et al., 2014
FungiSaccharomyces Cerevisiae Y1001n/aBruce et al., 2004
FungiTrichodema Pseudokoningiin/aWheatley et al., 1997
FungiTrichodema Viriden/aWheatley et al., 1997
FungiTuber SimoneaNoneNone March et al., 2006
FungiTuber Aestivumn/aAyme Truffe of Grignan, 26230 France March et al., 2006
FungiTuber Brumalen/aAyme Truffe of Grignan, 26230 France March et al., 2006
FungiTuber Melanosporumn/aAyme Truffe of Grignan, 26230 France March et al., 2006
FungiTuber Mesentericumn/aAyme Truffe of Grignan, 26230 France March et al., 2006
FungiTuber MiesentericumNoneNone March et al., 2006
FungiTuber Rufumn/aAyme Truffe of Grignan, 26230 France March et al., 2006
FungiTuber Simonean/aAyme Truffe of Grignan, 26230 France March et al., 2006
FungiTuber Uncinatumn/aFrance, Italy, Switzerland, the UK, Austria, Romania, and HungarySplivallo et al., 2012
BacteriaAchromobacter Xylosoxidans AF411019Nematicidal activitycow dungXU et al., 2015
BacteriaArthrobacter Nicotianae JQ071518Nematicidal activitycow dungXU et al., 2015
BacteriaMycobacterium Bovisn/aMCNerney et al., 2017
BacteriaWautersiella Falsenii AM238687Nematicidal activitycow dungXU et al., 2015
BacteriaCyanobacteriaAs part of a multicomponent odour it is also an attractant for the freshwater nematode Bursilla monhystera.Schulz and Dickschat, 2007
BacteriaPseudomonas Perolens ATCC 10757nasterile fish muscle (Sebastes melanops)Miller et al., 1973
FungiTuber Aestivumn/aProf. Mattia Bentivenga (Università di Perugia, Perugia, Italy) and in the fortywoodland of the Basilicata regionMauriello et al., 2004
FungiTuber Brumalen/aProf. Mattia Bentivenga (Università di Perugia, Perugia, Italy) and in the fortywoodland of the Basilicata regionMauriello et al., 2004
FungiTuber Melanosporumn/aProf. Mattia Bentivenga (Università di Perugia, Perugia, Italy) and in the fortywoodland of the Basilicata regionMauriello et al., 2004
FungiTuber Mesentericumn/aProf. Mattia Bentivenga (Università di Perugia, Perugia, Italy) and in the fortywoodland of the Basilicata regionMauriello et al., 2004
FungiTuber Panniferumn/aProf. Mattia Bentivenga (Università di Perugia, Perugia, Italy) and in the fortywoodland of the Basilicata regionMauriello et al., 2004
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaAMI 386Nutrient agar CM3 + 50mg/l actidioneGC/MS
BacteriaBacillus Amyloliquefaciens IN937aTryptic soy agarSPME coupled with GC-MS
BacteriaBacillus Cereus YMF3·00019LB mediumSPME-GC/MSNo
BacteriaBacillus Subtilis GB03Tryptic soy agarSPME coupled with GC-MS
BacteriaBrevibacterium Epidermidis YMF3·00155LB mediumSPME-GC/MSNo
BacteriaCitrobacter Freundiitryptic soy broth SPME, GC-MSyes
BacteriaCoagulase Negative StaphylococciGCMS DSQno
BacteriaEscherichia Colimilk samplesGC-MS(BPX-5)no
BacteriaKlebsiella Pneumoniaetryptic soy broth SPME, GC-MSyes
BacteriaLactobacillus CaseiMRS agarGC-IMSyes
BacteriaLactobacillus Lactis Subsp. CremorisMRS agarGC-IMSyes
BacteriaLactobacillus Lactis Subsp. LactisMRS agarGC-IMSyes
BacteriaLactobacillus Paracasei Subsp ParacaseiMRS agarGC-IMSyes
BacteriaLactobacillus Sakei CIRM467Tcurd-based broth mediumGC/MSYes
BacteriaPaenibacillus Polymyxa E681Tryptic soy agarSPME coupled with GC-MS
BacteriaProteus Penneri YMF3·00016LB mediumSPME-GC/MSNo
BacteriaProteus Vulgaris Sp.LB mediumSPME-GC/MSNo
BacteriaPseudochrobactrum Asaccharolyticum YMF3·00201LB mediumSPME-GC/MSNo
BacteriaSaccharomonospora Rectivirgula DSM 43113Nutrient agar CM3GC/MS
BacteriaSaccharomonospora Viridis DSM 43017Nutrient agar CM3GC/MS
BacteriaSalmonella Enterican/an/a
BacteriaSerratia Spp. B2675n/an/a
BacteriaSerratia Spp. B675n/an/a
BacteriaStaphylococcus AureusGCMS DSQno
BacteriaStreptococcus DysgalactiaeGCMS DSQno
BacteriaStreptococcus UberisGCMS DSQno
BacteriaThermoactinomyces Vulgaris DSM 43016Nutrient agar CM3GC/MS
BacteriaThermomonospora Fusca DSM 43792Nutrient agar CM3GC/MS
FungiCandida Tropicalisn/an/a
FungiMuscodor Crispanspotato dextrose agarSPME-GC-MS
FungiPaecilomyces Variotii BainDG18GC/MS
FungiPenicillium Commune PittDG18GC/MS
FungiPhialophora Fastigiata ConantDG18GC/MS
FungiPhoma Sp.n/aSolid phase microextraction (SPME)
FungiSaccharomyces Cerevisiae Y1001n/an/a
FungiTrichodema PseudokoningiiLow mediumGC/MS
FungiTrichodema VirideMalt extract/Low mediumGC/MS
FungiTuber SimoneaNonePressure balanced head-space sampling and GC/TOF-MSNo
FungiTuber Aestivumn/aPressure balanced head-space sampling and GC/TOF-MS
FungiTuber Brumalen/aPressure balanced head-space sampling and GC/TOF-MS
FungiTuber Melanosporumn/aPressure balanced head-space sampling and GC/TOF-MS
FungiTuber Mesentericumn/aPressure balanced head-space sampling and GC/TOF-MS
FungiTuber MiesentericumNonePressure balanced head-space sampling and GC/TOF-MSNo
FungiTuber Rufumn/aPressure balanced head-space sampling and GC/TOF-MS
FungiTuber Simonean/aPressure balanced head-space sampling and GC/TOF-MS
FungiTuber Uncinatumn/aSPME-GC-MS
BacteriaAchromobacter Xylosoxidans AF411019LB liquidSPME-GC/MS
BacteriaArthrobacter Nicotianae JQ071518LB liquidSPME-GC/MS
BacteriaMycobacterium BovisLoewenstein-Jensen mediaHeadspace analyze / SIFT-MS and TD-GC-MS.
BacteriaWautersiella Falsenii AM238687LB liquidSPME-GC/MS
BacteriaCyanobacterian/an/a
BacteriaPseudomonas Perolens ATCC 10757Trypticase soil agar (BBL)GC/MS
FungiTuber Aestivumn/amicroextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)
FungiTuber Brumalen/amicroextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)
FungiTuber Melanosporumn/amicroextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)
FungiTuber Mesentericumn/amicroextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)
FungiTuber Panniferumn/amicroextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)


2-methylbutanal

Mass-Spectra

Compound Details

Synonymous names
Methylethylacetaldehyde
alpha-Methylbutyraldehyde
alpha-Methylbutyric aldehyde
alpha-Methylbutanal
BYGQBDHUGHBGMD-UHFFFAOYSA-N
Methyl ethyl acetaldehyde
2-Methylbutyraldehyde
.alpha.-Methylbutyraldehyde
2-Methylbutyric aldehyde
2-Methylbutyraldehyde, analytical standard
2-METHYLBUTANAL
2-Formylbutane
2-Ethylpropanal
2-methyl butyraldehyde
Acetaldehyde, ethylmethyl-
2-methyl-butyraldehyde
S-2-METHYLBUTANAL
Nat.2-Methyl Butyraldehyde
.alpha.-Methylbutanal
.alpha.-Methylbutyric aldehyde
sec-C4H9CHO
AC1L1OF7
2-Methyl-Butanal
2-Methylbutyraldehyde (natural)
KSC202Q5N
AC1Q2S32
CTK1A2856
2- ethyl propanal
2-Methylbutyraldehyde, 95%
alpha-2-Methyl-n-butanal
WLN: VHY2&1
NSC77077
Butyraldehyde, 2-methyl-
ACMC-209s6n
2-Methyl-1-butanal
C02223
CCRIS 2944
2-methylbutan-1-al
LS-2912
OR010846
OR231043
OR258853
DTXSID2021818
CHEMBL2270060
DSSTox_CID_1818
CHEBI:16182
Butanal, 2-methyl-
ANW-40797
DSSTox_GSID_21818
2-Methylbutyraldehyde, natural, 98%
NSC 77077
KB-25099
NSC-77077
AN-24338
MFCD00006984
DSSTox_RID_76346
2-Methylbutyraldehyde, >=95%, FG
TR-032175
AI3-33276
RTR-032175
DB-057627
AKOS009107038
FEMA No. 2691
BRN 1633540
FT-0613025
I14-49148
96-17-3
Tox21_201242
Tox21_302866
CAS-96-17-3
NCGC00258794-01
NCGC00256324-01
NCGC00249003-01
EINECS 202-485-6
57456-98-1
MolPort-001-786-891
(.+/-.)-2-Methylbutanal
Butanal, 2-methyl-, (2R)-
3-01-00-02813 (Beilstein Handbook Reference)
IUPAC name2-methylbutanal
SMILESCCC(C)C=O
InchiInChI=1S/C5H10O/c1-3-5(2)4-6/h4-5H,3H2,1-2H3
FormulaC5H10O
PubChem ID7284
Molweight86.134
LogP1.31
Atoms16
Bonds15
H-bond Acceptor1
H-bond Donor0
Chemical ClassificationAldehydes

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
FungiTuber Panniferumn/aProf. Mattia Bentivenga (Università di Perugia, Perugia, Italy) and in the fortywoodland of the Basilicata regionMauriello et al., 2004
FungiCeratocystis Sp.n/aStotzky and Schenk, 1976
FungiThielaviopsis Basicolan/aStotzky and Schenk, 1976
BacteriaStaphylococcus EpidermidisDSMZVerhulst et al. 2010
FungiTuber Aestivumn/aAgricultural Centre of Castilla and León Community (Monasterio de la Santa Espina, Valladolid, Spain) and Navaleno (Soria, Spain).Diaz et al., 2003
FungiTuber Melanosporumn/aAgricultural Centre of Castilla and León Community (Monasterio de la Santa Espina, Valladolid, Spain) and Navaleno (Soria, Spain).Diaz et al., 2003
BacteriaCoagulase-negative Staphylococcin/aHettinga et al., 2008
BacteriaLactobacillus Helveticus CIRM449nayoghurtPogačić et al., 2016
BacteriaProteus Spp.nafrom Microbial Type Culture Collection, Chandigarh and Sri Ramachandra University, Chennai, Tamilnadu, IndiaAarthi et al., 2014
BacteriaStaphylococcus Aureusn/aHettinga et al., 2008
BacteriaStaphylococcus Sciurinafrom the gut flora of pea aphid Acyrthosiphon pisum honeydewLeroy et al., 2011
BacteriaStaphylococcus Sp.n/aSchulz and Dickschat, 2007
BacteriaStreptococcus Dysgalactiaen/aHettinga et al., 2008
BacteriaStreptococcus Uberisn/aHettinga et al., 2008
Fungi Aspergillus Sp.Jelen and Grabarkiewicz-Szczesna 2007
FungiFusarium Graminearum 15AcDONn/aBusko et al., 2014
FungiFusarium Graminearum 15AcDON 1001tan/aBusko et al., 2014
FungiFusarium Graminearum 15AcDON ZFR 29n/aBusko et al., 2014
FungiFusarium Graminearum 15AcDON_4n/aBusko et al., 2014
FungiFusarium Graminearum 15AcDON_5n/aBusko et al., 2014
FungiFusarium Graminearum 15AcDON_6n/aBusko et al., 2014
FungiFusarium Graminearum 15AcDON_7n/aBusko et al., 2014
FungiFusarium Graminearum 15AcDON_8n/aBusko et al., 2014
FungiFusarium Graminearum 15AcDON_9n/aBusko et al., 2014
FungiFusarium Graminearum 3AcDON 1002tn/aBusko et al., 2014
FungiFusarium Graminearum 3AcDON 11791n/aBusko et al., 2014
FungiFusarium Graminearum 3AcDON 1509n/aBusko et al., 2014
FungiFusarium Graminearum 3AcDON 8046n/aBusko et al., 2014
FungiFusarium Graminearum 3AcDON NRRL38369n/aBusko et al., 2014
FungiFusarium Graminearum 3AcDON NRRL6394n/aBusko et al., 2014
FungiFusarium Graminearum 3AcDON ZFR 15n/aBusko et al., 2014
FungiFusarium Graminearum 3AcDON ZFR 37n/aBusko et al., 2014
FungiFusarium Graminearum 3AcDON ZFR 51n/aBusko et al., 2014
FungiFusarium Graminearum NIVn/aBusko et al., 2014
FungiFusarium Graminearum NIV ZFR 119n/aBusko et al., 2014
FungiFusarium Graminearum NIV ZFR 23n/aBusko et al., 2014
FungiFusarium Graminearum NIV ZFR 48n/aBusko et al., 2014
FungiFusarium Graminearum NIV_5n/aBusko et al., 2014
FungiFusarium Graminearum NIV_6n/aBusko et al., 2014
FungiFusarium Graminearum NIV_7n/aBusko et al., 2014
FungiFusarium Graminearum NIV_8n/aBusko et al., 2014
FungiFusarium Graminearum NIV_9n/aBusko et al., 2014
Fungi Fusarium Sp.Jelen and Grabarkiewicz-Szczesna 2007
FungiTrichoderma VirideHung et al., 2013
FungiTuber Aestivumn/aProf. Mattia Bentivenga (Università di Perugia, Perugia, Italy) and in the fortywoodland of the Basilicata regionMauriello et al., 2004
FungiTuber Borchiin/aProf. Mattia Bentivenga (Università di Perugia, Perugia, Italy) and in the fortywoodland of the Basilicata regionMauriello et al., 2004
FungiTuber Brumalen/aProf. Mattia Bentivenga (Università di Perugia, Perugia, Italy) and in the fortywoodland of the Basilicata regionMauriello et al., 2004
FungiTuber Magnatumn/aProf. Mattia Bentivenga (Università di Perugia, Perugia, Italy) and in the fortywoodland of the Basilicata regionMauriello et al., 2004
FungiTuber Melanosporumn/aSplivallo et al., 2007
FungiTuber Mesentericumn/aProf. Mattia Bentivenga (Università di Perugia, Perugia, Italy) and in the fortywoodland of the Basilicata regionMauriello et al., 2004
FungiTuber Oligospermumn/aProf. Mattia Bentivenga (Università di Perugia, Perugia, Italy) and in the fortywoodland of the Basilicata regionMauriello et al., 2004
FungiTuber Uncinatumn/aFrance, Italy, Switzerland, the UK, Austria, Romania, and HungarySplivallo et al., 2012
BacteriaEscherichia Colin/aTait et al., 2014
BacteriaKlebsiella Pneumoniaen/aTait et al., 2014
BacteriaStaphylococcus Aureusn/aTait et al., 2014
BacteriaBacillus Subtilis GB03n/aLee et al., 2012
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
FungiTuber Panniferumn/amicroextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)
FungiCeratocystis Sp.n/an/a
FungiThielaviopsis Basicolan/an/a
BacteriaStaphylococcus EpidermidisCLSA, charcoal, GC-MSno
FungiTuber Aestivumn/aHeadspace solid-phase microextraction (HS-SPME) combined with GC-MS
FungiTuber Melanosporumn/aHeadspace solid-phase microextraction (HS-SPME) combined with GC-MS
BacteriaCoagulase-negative StaphylococciMilkHS-SPME/GC-MS
BacteriaLactobacillus Helveticus CIRM449curd-based broth mediumGC/MSYes
BacteriaProteus Spp.LB brothGC/MS, FT-IRNo
BacteriaStaphylococcus AureusMilkHS-SPME/GC-MS
BacteriaStaphylococcus Sciuri866 liquid mediumSPME-GC/MS
BacteriaStaphylococcus Sp.n/an/a
BacteriaStreptococcus DysgalactiaeMilkHS-SPME/GC-MS
BacteriaStreptococcus UberisMilkHS-SPME/GC-MS
Fungi Aspergillus Sp.no
FungiFusarium Graminearum 15AcDONyeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 15AcDON 1001tayeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 15AcDON ZFR 29yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 15AcDON_4yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 15AcDON_5yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 15AcDON_6yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 15AcDON_7yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 15AcDON_8yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 15AcDON_9yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 3AcDON 1002tyeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 3AcDON 11791yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 3AcDON 1509yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 3AcDON 8046yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 3AcDON NRRL38369yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 3AcDON NRRL6394yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 3AcDON ZFR 15yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 3AcDON ZFR 37yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 3AcDON ZFR 51yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum NIVyeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum NIV ZFR 119yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum NIV ZFR 23yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum NIV ZFR 48yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum NIV_5yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum NIV_6yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum NIV_7yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum NIV_8yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum NIV_9yeast extract sucrose agarSPME/GC-MS
Fungi Fusarium Sp.no
FungiTrichoderma VirideMalt extract agar Headspace volatiles collected with colomn/TD-GC-MSYes
FungiTuber Aestivumn/amicroextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)
FungiTuber Borchiin/amicroextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)
FungiTuber Brumalen/amicroextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)
FungiTuber Magnatumn/amicroextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)
FungiTuber Melanosporumn/an/a
FungiTuber Mesentericumn/amicroextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)
FungiTuber Oligospermumn/amicroextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)
FungiTuber Uncinatumn/aSPME-GC-MS
BacteriaEscherichia ColiBHI Broth/ TS Broth/Glucose EF base brothGC-MS /Polar and non-polar GC Column
BacteriaKlebsiella PneumoniaeBHI Broth/ TS Broth/Glucose EF base brothGC-MS /Polar and non-polar GC Column
BacteriaStaphylococcus AureusBHI Broth/ TS Broth/Glucose EF base brothGC-MS /Polar and non-polar GC Column
BacteriaBacillus Subtilis GB03Tryptic soy agarSPME coupled with GC-MS


Cyclohexene

Mass-Spectra

Compound Details

Synonymous names
Benzenetetrahydride
Tetrahydrobenzene
Hexanaphthylene
Benzene tetrahydride
cyclohexen
CYCLOHEXENE
Cykloheksen
Zyklohexen
HGCIXCUEYOPUTN-UHFFFAOYSA-N
cyclohexane N
Cyclohexene, analytical standard
cyclo hexene
cyclo-hexene
1-Cyclohexene
2-cyclohexen
3-Cyclohexenyl radical
4-Cyclohexenyl radical
AC1Q1HIF
AC1L1Q7T
Benzene, tetrahydro-
Cyclohexane-1beta,2alpha-diyl
Cykloheksen [Polish]
ACMC-1BMJ1
Cyclohex-1-ene
(e)-cyclohexene
(Z)-Cyclohexene
KSC177C0F
7450AF
CHEMBL16396
UN2256
WLN: L6UTJ
12L0P8F7GN
CTK0H7102
NSC24835
1,3,4-Tetrahydrobenzene
CCRIS 8739
HSDB 1624
LTBB001107
UNII-12L0P8F7GN
DTXSID9038717
OR034362
OR109656
OR109667
OR279428
OR336968
STL445673
UN 2256
A802251
CHEBI:36404
AN-22626
ANW-16200
BP-31020
CJ-14477
LS-57377
NSC 24835
NSC-24835
TRA0075448
MFCD00001539
ZINC13950911
AI3-03146
RTR-002196
TR-002196
1,2,3,4-Tetrahydrobenzene
3,4,5,6-Tetrahydrobenzene
AKOS000119959
AKOS025243963
J-002481
S14-1475
BRN 0906737
FT-0624200
Cyclohexene, 99% 100ml
110-83-8
F0001-0225
Z1262252892
7493-04-1
Cyclohexene [UN2256] [Flammable liquid]
Cyclohexene, inhibitor-free, ReagentPlus(R), 99%
MCULE-3564016252
CYCLOHEXENE-D10, 98 ATOM % D
EINECS 203-807-8
15650-80-3
33004-06-7
Cyclohexene [UN2256] [Flammable liquid]
MolPort-001-779-794
12198-EP2269990A1
12198-EP2270010A1
12198-EP2272832A1
12198-EP2272972A1
12198-EP2272973A1
12198-EP2275403A1
12198-EP2277872A1
12198-EP2280009A1
12198-EP2281817A1
12198-EP2281818A1
12198-EP2284148A1
12198-EP2284149A1
12198-EP2284165A1
12198-EP2287155A1
12198-EP2292611A1
12198-EP2295429A1
12198-EP2295503A1
12198-EP2298731A1
12198-EP2298732A1
12198-EP2298767A1
12198-EP2301913A1
12198-EP2301914A1
12198-EP2301983A1
12198-EP2302015A1
12198-EP2305627A1
12198-EP2305641A1
12198-EP2305672A1
12198-EP2305683A1
12198-EP2305808A1
12198-EP2305825A1
12198-EP2308510A1
12198-EP2308562A2
12198-EP2308812A2
12198-EP2308839A1
12198-EP2308840A1
12198-EP2308865A1
12198-EP2308877A1
12198-EP2311796A1
12198-EP2311797A1
12198-EP2311798A1
12198-EP2311799A1
12198-EP2311839A1
12198-EP2314583A1
12198-EP2314587A1
12198-EP2314589A1
12198-EP2315303A1
12198-EP2316837A1
12198-EP2316974A1
12198-EP2371811A2
12198-EP2380568A1
77950-EP2272846A1
77950-EP2275408A1
77950-EP2287158A1
77950-EP2308866A1
Cyclohexene, contains 100 ppm BHT as inhibitor, >=99.0%
4-05-00-00218 (Beilstein Handbook Reference)
InChI=1/C6H10/c1-2-4-6-5-3-1/h1-2H,3-6H
IUPAC namecyclohexene
SMILESC1CCC=CC1
InchiInChI=1S/C6H10/c1-2-4-6-5-3-1/h1-2H,3-6H2
FormulaC6H10
PubChem ID8079
Molweight82.146
LogP2.31
Atoms16
Bonds16
H-bond Acceptor0
H-bond Donor0
Chemical ClassificationAlkenes alkanes

mVOC Specific Details

Volatilization
The Henry's Law constant for cyclohexene is 4.55X10-2 atm-cu m/mole at 25 deg C(1). This Henry's Law constant indicates that cyclohexene is expected to volatilize rapidly 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 1 hour(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 4 days(SRC). Cyclohexene's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). Cyclohexene is expected to volatilize from dry soil surfaces(SRC) based upon a an extrapolated vapor pressure of 89 mm Hg(3).
Literature: (1) Hine J, Mookerjee PK; J Org Chem 40: 292-8 (1975) (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 & Thermodynamic Properties of Pure Chemicals NY: Hemisphere Pub Corp (1989)
Soil Adsorption
The Koc of cyclohexene is estimated as 850 (SRC), using a log Kow of 2.86(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that cyclohexene is expected to have low 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. 23 (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
PressureReference
89.0 mm Hg at 25 deg C (est)Daubert, T.E., R.P. Danner. Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, D.C.: Taylor and Francis, 1989.

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaBacillus Subtilis GB03n/aLee et al., 2012
BacteriaBacillus SimplexReduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.Gu et al., 2007
BacteriaBacillus SubtilisReduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.Gu et al., 2007
BacteriaBacillus WeihenstephanensisReduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.Gu et al., 2007
BacteriaMicrobacterium OxydansReduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.Gu et al., 2007
BacteriaSerratia MarcescensReduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.Gu et al., 2007
BacteriaStenotrophomonas MaltophiliaReduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.Gu et al., 2007
BacteriaStreptomyces LateritiusReduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.Gu et al., 2007
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaBacillus Subtilis GB03Tryptic soy agarSPME coupled with GC-MS
BacteriaBacillus Simplexn/an/a
BacteriaBacillus Subtilisn/an/a
BacteriaBacillus Weihenstephanensisn/an/a
BacteriaMicrobacterium Oxydansn/an/a
BacteriaSerratia Marcescensn/an/a
BacteriaStenotrophomonas Maltophilian/an/a
BacteriaStreptomyces Lateritiusn/an/a


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 nameundecan-2-one
SMILESCCCCCCCCCC(=O)C
InchiInChI=1S/C11H22O/c1-3-4-5-6-7-8-9-10-11(2)12/h3-10H2,1-2H3
FormulaC11H22O
PubChem ID8163
Molweight170.296
LogP3.92
Atoms34
Bonds33
H-bond Acceptor1
H-bond Donor0
Chemical ClassificationKetones Ketone

mVOC Specific Details

Boiling Point
DegreeReference
231.5 deg CLide, 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
PressureReference
4.1X10-2 mm HgPerry RH, Green D; Perry's Chemical Handbook. Physical and Chemical data. NY, NY: McGraw-Hill 6th ed (1984)
MS-Links

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaBacillus Amyloliquefaciens IN937atriggers induced systemic resistance (ISR) in ArabidopsisnaRyu et al., 2004
BacteriaBacillus Cereus ATCC 14570American Type Culture Collection (ATCC), Rockville, MD or wild strains identified at the University of Kentucky Dept. of Animal Sciences Food Microbiology LaboratoryElgaali et al. 2002
BacteriaBacillus Polymyxa ATCC 842American Type Culture Collection (ATCC), Rockville, MD or wild strains identified at the University of Kentucky Dept. of Animal Sciences Food Microbiology LaboratoryElgaali et al. 2002
BacteriaBacillus SimplexReduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.Gu et al., 2007
BacteriaBacillus SubtilisReduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.Gu et al., 2007
BacteriaBacillus Subtilis GB03triggers induced systemic resistance (ISR) in ArabidopsisnaRyu et al., 2004
BacteriaBacillus WeihenstephanensisReduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.Gu et al., 2007
BacteriaBurkholderia Ambifaria LMG 17828n/aBurkholderia ambifaria LMG 17828 from root, LMG 19182 from rhizosphereGroenhagen et al., 2013
BacteriaBurkholderia Ambifaria LMG 19182n/aBurkholderia ambifaria LMG 17828 from root, LMG 19182 from rhizosphereGroenhagen et al., 2013
BacteriaBurkholderia Andropogonis LMG 2129n/aBlom et al., 2011
BacteriaBurkholderia Caribensis LMG 18531n/aBlom et al., 2011
BacteriaBurkholderia Caryophylli LMG 2155n/aBlom et al., 2011
BacteriaBurkholderia Cepacia LMG 1222n/aBlom et al., 2011
BacteriaBurkholderia Cepacia LMG 1222 358RhizosphereBlom et al., 2011
BacteriaBurkholderia Fungorum LMG 16225n/aBlom et al., 2011
BacteriaBurkholderia Gladioli LMG 2216n/aBlom et al., 2011
BacteriaBurkholderia Glathei LMG 14190n/aBlom et al., 2011
BacteriaBurkholderia Glumae LMG 2196n/aBlom et al., 2011
BacteriaBurkholderia Graminis LMG 18924n/aBlom et al., 2011
BacteriaBurkholderia Hospita LMG 20598n/aBlom et al., 2011
BacteriaBurkholderia Lata LMG 22485n/aBlom et al., 2011
BacteriaBurkholderia Lata LMG 6993n/aBlom et al., 2011
BacteriaBurkholderia Phenazinium LMG 2247n/aBlom et al., 2011
BacteriaBurkholderia Phenoliruptrix LMG 22037n/aBlom et al., 2011
BacteriaBurkholderia Phytofirmans LMG 22487n/aBlom et al., 2011
BacteriaBurkholderia Pyrrocinia LMG 21822n/aBlom et al., 2011
BacteriaBurkholderia Terricola LMG 20594n/aBlom et al., 2011
BacteriaBurkholderia Tropica LMG 22274n/aBlom et al., 2011
BacteriaBurkholderia Xenovorans LMG 21463n/aBlom et al., 2011
BacteriaChromobacterium Violaceum CV0n/aBlom et al., 2011
BacteriaCitrobacter Freundii ATCC 33128American Type Culture Collection (ATCC), Rockville, MD or wild strains identified at the University of Kentucky Dept. of Animal Sciences Food Microbiology LaboratoryElgaali et al. 2002
BacteriaCorynebacterium Accolens V12028clinical isolateLemfack et al. 2016
BacteriaCorynebacterium Jeikeum V12131clinical isolateLemfack et al. 2016
BacteriaCorynebacterium Jeikeum V12209clinical isolateLemfack et al. 2016
BacteriaCorynebacterium Minutissimum ATCC 23348clinical isolate,trunk of adult femaleLemfack et al. 2016
BacteriaCorynebacterium Striatum RV2clinical isolateLemfack et al. 2016
BacteriaCorynebacterium Striatum V6894clinical isolateLemfack et al. 2016
BacteriaEnterobacter Aerogenes ATCC 13048American Type Culture Collection (ATCC), Rockville, MD or wild strains identified at the University of Kentucky Dept. of Animal Sciences Food Microbiology LaboratoryElgaali et al. 2002
BacteriaEnterobacter Aerogenes KY2American Type Culture Collection (ATCC), Rockville, MD or wild strains identified at the University of Kentucky Dept. of Animal Sciences Food Microbiology LaboratoryElgaali et al. 2002
BacteriaEnterobacter Cloacae ATCC 13047American Type Culture Collection (ATCC), Rockville, MD or wild strains identified at the University of Kentucky Dept. of Animal Sciences Food Microbiology LaboratoryElgaali et al. 2002
BacteriaEnterococcus Durans ATCC 19432American Type Culture Collection (ATCC), Rockville, MD or wild strains identified at the University of Kentucky Dept. of Animal Sciences Food Microbiology LaboratoryElgaali et al. 2002
BacteriaEnterococcus Faecium ATCC 19434American Type Culture Collection (ATCC), Rockville, MD or wild strains identified at the University of Kentucky Dept. of Animal Sciences Food Microbiology LaboratoryElgaali et al. 2002
BacteriaEscherichia Colin/aElgaali et al., 2002
BacteriaEscherichia Coli ATCC 25922American Type Culture Collection (ATCC), Rockville, MD or wild strains identified at the University of Kentucky Dept. of Animal Sciences Food Microbiology LaboratoryElgaali et al. 2002
BacteriaEscherichia Coli O157:H7China Center of Industrial culture Collection, China General Microbiological Culture Collection CenterChen et Al. 2016
BacteriaEscherichia Coli OP50n/aBlom et al., 2011
BacteriaKlebsiella Pneumoniaen/aElgaali et al., 2002
BacteriaLactobacillus Lactis ATCC 11454American Type Culture Collection (ATCC), Rockville, MD or wild strains identified at the University of Kentucky Dept. of Animal Sciences Food Microbiology LaboratoryElgaali et al. 2002
BacteriaLactobacillus Lactis ATCC 11955American Type Culture Collection (ATCC), Rockville, MD or wild strains identified at the University of Kentucky Dept. of Animal Sciences Food Microbiology LaboratoryElgaali et al. 2002
BacteriaLactobacillus Rhamnosus LSL 222nanaPogačić et al., 2016
BacteriaLeuconostoc Mesenteroides ATCC 8086American Type Culture Collection (ATCC), Rockville, MD or wild strains identified at the University of Kentucky Dept. of Animal Sciences Food Microbiology LaboratoryElgaali et al. 2002
BacteriaListeria Monocytogenes ATCC 19115American Type Culture Collection (ATCC), Rockville, MD or wild strains identified at the University of Kentucky Dept. of Animal Sciences Food Microbiology LaboratoryElgaali et al. 2002
BacteriaMicrobacterium OxydansReduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.Gu et al., 2007
BacteriaPandoraea Norimbergensis LMG 18379n/aBlom et al., 2011
BacteriaPseudomonas Aeruginosa PA01nanaBriard et al., 2016
BacteriaPseudomonas Aurantiacan/aFernando et al., 2005
BacteriaPseudomonas Brassicacearum USB2101reduces mycelium growth and sclerotia germination of Sclerotinia sclerotiorum USB-F593; lyses red blood cellsrhizosphere of bean plants, southern ItalyGiorgio et al., 2015
BacteriaPseudomonas Brassicacearum USB2102reduces mycelium growth and sclerotia germination of Sclerotinia sclerotiorum USB-F593; lyses red blood cellsrhizosphere of bean plants, southern ItalyGiorgio et al., 2015
BacteriaPseudomonas Brassicacearum USB2104reduces mycelium growth and sclerotia germination of Sclerotinia sclerotiorum USB-F593; lyses red blood cellsrhizosphere of bean plants, southern ItalyGiorgio et al., 2015
BacteriaPseudomonas Chlororaphisn/aFernando et al., 2005
BacteriaPseudomonas Chlororaphis 450inhibits growth of Synechococcus sp. PCC 7942 and Rhizoctonia solani, kills Caenorhabditis elegansRhizosphere of maize, Kiev region, UkrainePopova et al., 2014
BacteriaPseudomonas Corrugaten/aFernando et al., 2005
BacteriaPseudomonas Fluorescensn/aFernando et al., 2005
BacteriaPseudomonas Fluorescens ATCC 13525American Type Culture Collection (ATCC), Rockville, MD or wild strains identified at the University of Kentucky Dept. of Animal Sciences Food Microbiology LaboratoryElgaali et al. 2002
BacteriaPseudomonas Fluorescens WCS 417rn/aBlom et al., 2011
BacteriaPseudomonas Jessenii S34naphyllosphere of field-grown potato plantsHunziker et al., 2015
BacteriaPseudomonas Putida ISOfn/aBlom et al., 2011
BacteriaPseudomonas Putida USB2105reduces mycelium growth and sclerotia germination of Sclerotinia sclerotiorum USB-F593; lyses red blood cellsrhizosphere of bean plants, southern ItalyGiorgio et al., 2015
BacteriaPseudomonas Tolaasii NCPPB 2192nanaCantore et al., 2015
BacteriaPseudomonas Tolaasii USB66nanaCantore et al., 2015
BacteriaSalmonella Enterica Serovar EnteritidisChina Center of Industrial culture Collection, China General Microbiological Culture Collection CenterChen et Al. 2016
BacteriaSalmonella Paratyphi KYAmerican Type Culture Collection (ATCC), Rockville, MD or wild strains identified at the University of Kentucky Dept. of Animal Sciences Food Microbiology LaboratoryElgaali et al. 2002
BacteriaSchewanella Putrefaciens ATCC 8071American Type Culture Collection (ATCC), Rockville, MD or wild strains identified at the University of Kentucky Dept. of Animal Sciences Food Microbiology LaboratoryElgaali et al. 2002
BacteriaSerratia Entomophilia A1MO2n/aBlom et al., 2011
BacteriaSerratia MarcescensReduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.Gu et al., 2007
BacteriaSerratia Marcescens Db11n/aWeise et al., 2014
BacteriaSerratia Marcescens MG1n/aBlom et al., 2011
BacteriaSerratia Odorifera DSM 4582n/aWeise et al., 2014
BacteriaSerratia Plymuthica 4Rx13n/aWeise et al., 2014
BacteriaSerratia Plymuthica AS9n/aWeise et al., 2014
BacteriaSerratia Plymuthica HRO-C48n/aBlom et al., 2011
BacteriaSerratia Plymuthica IC14n/aBlom et al., 2011
BacteriaSerratia Proteamaculans 568n/aWeise et al., 2014
BacteriaSerratia Proteamaculans B5an/aBlom et al., 2011
BacteriaSerratia Spp. B2675n/aBruce et al., 2004
BacteriaSerratia Spp. B675n/aBruce et al., 2004
BacteriaShigella Flexneri CGCMCC 1.1868China Center of Industrial culture Collection, China General Microbiological Culture Collection CenterChen et Al. 2016
BacteriaShigella SonneiAmerican Type Culture Collection (ATCC), Rockville, MD or wild strains identified at the University of Kentucky Dept. of Animal Sciences Food Microbiology LaboratoryElgaali et al. 2002
BacteriaShigella Sonnei ATCCV 25931American Type Culture Collection (ATCC), Rockville, MD or wild strains identified at the University of Kentucky Dept. of Animal Sciences Food Microbiology LaboratoryElgaali et al. 2002
BacteriaStaphylococcus Epidermidis ATCC 12228Lemfack et al. 2016
BacteriaStaphylococcus Epidermidis ATCC 14990clinical isolate,noseLemfack et al. 2016
BacteriaStaphylococcus Epidermidis DSM 3269clinical isolate,catheterLemfack et al. 2016
BacteriaStaphylococcus Epidermidis RP62Aclinical isolate,catheterLemfack et al. 2016
BacteriaStaphylococcus Haemolyticus CCM 2729clinical isolate,human skinLemfack et al. 2016
BacteriaStaphylococcus Saccharolyticus B5709clinical isolateLemfack et al. 2016
BacteriaStaphylococcus Schleiferi DSMZ 4807clinical isolateLemfack et al. 2016
BacteriaStaphylococcus Schleiferi H34clinical isolateLemfack et al. 2016
BacteriaStaphylococcus Schleiferi V431clinical isolateLemfack et al. 2016
BacteriaStaphylococcus Warneri CCM 2730clinical isolate,human skinLemfack et al. 2016
BacteriaStenotrophomonas MaltophiliaReduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.Gu et al., 2007
BacteriaStenotrophomonas Rhizophilla Ep10-p69n/aBlom et al., 2011
BacteriaStreptococcus Agalactiae ATCC 27541American Type Culture Collection (ATCC), Rockville, MD or wild strains identified at the University of Kentucky Dept. of Animal Sciences Food Microbiology LaboratoryElgaali et al. 2002
BacteriaStreptococcus Thermophilus ATCC 14485American Type Culture Collection (ATCC), Rockville, MD or wild strains identified at the University of Kentucky Dept. of Animal Sciences Food Microbiology LaboratoryElgaali et al. 2002
BacteriaStreptomyces LateritiusReduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.Gu et al., 2007
Fungi Aspergillus Sp.Takeuchi et al. 2015
Fungi Fusarium SolaniTakeuchi et al. 2013
FungiGanoderma Lucidumnasaprophytic on deciduous treesZiegenbein et al., 2006
Fungi Penicillium SppTakeuchi et al. 2016
FungiPleurotus CystidiosusnanaUsami et al., 2014
FungiPleurotus Eryngii Var. TuoliensisnanaUsami et al., 2014
FungiSpongiporus Leucomallellusnasaprophytic mostly on wet, old pinesZiegenbein et al., 2006
FungiTrichoderma Atroviridenawater damaged buildings, BelgiumPolizzi et al., 2012
FungiTrichoderma Atroviride ATCC 74058n/aStoppacher et al., 2010
FungiTrichoderma ReeseiCrutcher et al., 2013
FungiTrichoderma VirensCrutcher et al., 2013
FungiTuber Aestivumn/aAgricultural Centre of Castilla and León Community (Monasterio de la Santa Espina, Valladolid, Spain) and Navaleno (Soria, Spain).Diaz et al., 2003
FungiTuber BorchiiNoneT. melanosporum, T. borchii were collected from northern Italy (Piedmont) and T. indicum from Yunnan and Sichuan Provinces (China). Splivallo et al., 2007b
FungiTuber Melanosporumn/aAgricultural Centre of Castilla and León Community (Monasterio de la Santa Espina, Valladolid, Spain) and Navaleno (Soria, Spain).Diaz et al., 2003
BacteriaSerratia Sp.Might be involved in inhibition of fungal growth.Schulz and Dickschat, 2007
BacteriaStigmatella Aurantiaca DW4/3-1n/aDickschat et al., 2005_5
BacteriaStigmatella Aurantiaca Sg A15n/aDickschat et al., 2005_5
BacteriaWautersiella Falsenii AM238687Nematicidal activitycow dungXU et al., 2015
BacteriaXanthomonas Campestris Pv. Vesicatoria 85-10n/aWeise et al., 2012
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaBacillus Amyloliquefaciens IN937aMurashige and Skoog mediumcapillary GC;GC/MSYes
BacteriaBacillus Cereus ATCC 14570TS brothGC-MS SPMEyes
BacteriaBacillus Polymyxa ATCC 842TS brothGC-MS SPMEyes
BacteriaBacillus Simplexn/an/a
BacteriaBacillus Subtilisn/an/a
BacteriaBacillus Subtilis GB03Murashige and Skoog mediumcapillary GC;GC/MSYes
BacteriaBacillus Weihenstephanensisn/an/a
BacteriaBurkholderia Ambifaria LMG 17828Luria-Bertani medium, Malt Extractn/a
BacteriaBurkholderia Ambifaria LMG 19182Luria-Bertani medium, Malt Extractn/a
BacteriaBurkholderia Andropogonis LMG 2129LB and AngleHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Caribensis LMG 18531LB and AngleHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Caryophylli LMG 2155MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Cepacia LMG 1222MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Cepacia LMG 1222 358MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)Yes
BacteriaBurkholderia Fungorum LMG 16225LB and MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Gladioli LMG 2216LB, MR-VP and MSHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Glathei LMG 14190LB Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Glumae LMG 2196MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Graminis LMG 18924LB and MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Hospita LMG 20598LB and MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Lata LMG 22485AngleHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Lata LMG 6993MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Phenazinium LMG 2247LB and MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Phenoliruptrix LMG 22037LBHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Phytofirmans LMG 22487LB and MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Pyrrocinia LMG 21822LB and MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Terricola LMG 20594LB and MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Tropica LMG 22274LBHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Xenovorans LMG 21463LBHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaChromobacterium Violaceum CV0LB and MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaCitrobacter Freundii ATCC 33128TS brothGC-MS SPMEyes
BacteriaCorynebacterium Accolens V12028brain heart infusion mediumPorapak / GC/MSno
BacteriaCorynebacterium Jeikeum V12131brain heart infusion mediumPorapak / GC/MSno
BacteriaCorynebacterium Jeikeum V12209brain heart infusion mediumPorapak / GC/MSno
BacteriaCorynebacterium Minutissimum ATCC 23348brain heart infusion mediumPorapak / GC/MSno
BacteriaCorynebacterium Striatum RV2brain heart infusion mediumPorapak / GC/MSno
BacteriaCorynebacterium Striatum V6894brain heart infusion mediumPorapak / GC/MSno
BacteriaEnterobacter Aerogenes ATCC 13048TS brothGC-MS SPMEyes
BacteriaEnterobacter Aerogenes KY2TS brothGC-MS SPMEyes
BacteriaEnterobacter Cloacae ATCC 13047TS brothGC-MS SPMEyes
BacteriaEnterococcus Durans ATCC 19432TS brothGC-MS SPMEyes
BacteriaEnterococcus Faecium ATCC 19434TS brothGC-MS SPMEyes
BacteriaEscherichia ColiTS brothHS-SPME/GC-MS
BacteriaEscherichia Coli ATCC 25922TS brothGC-MS SPMEyes
BacteriaEscherichia Coli O157:H7Trypticase Soy Broth (TSB)HS-SPME/'GC-MSno
BacteriaEscherichia Coli OP50MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaKlebsiella PneumoniaeTS brothHS-SPME/GC-MS
BacteriaLactobacillus Lactis ATCC 11454TS brothGC-MS SPMEyes
BacteriaLactobacillus Lactis ATCC 11955TS brothGC-MS SPMEyes
BacteriaLactobacillus Rhamnosus LSL 222curd-based broth mediumGC/MSYes
BacteriaLeuconostoc Mesenteroides ATCC 8086TS brothGC-MS SPMEyes
BacteriaListeria Monocytogenes ATCC 19115TS brothGC-MS SPMEyes
BacteriaMicrobacterium Oxydansn/an/a
BacteriaPandoraea Norimbergensis LMG 18379LB and MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaPseudomonas Aeruginosa PA01minimal medium/ Brian mediumSPME-GC/MSNo
BacteriaPseudomonas Aurantiacan/an/a
BacteriaPseudomonas Brassicacearum USB2101King's B AgarSPME-GC/MSNo
BacteriaPseudomonas Brassicacearum USB2102King's B AgarSPME-GC/MSNo
BacteriaPseudomonas Brassicacearum USB2104King's B AgarSPME-GC/MSNo
BacteriaPseudomonas Chlororaphisn/an/a
BacteriaPseudomonas Chlororaphis 450LB mediumSPME-GC/MSNo
BacteriaPseudomonas Corrugaten/an/a
BacteriaPseudomonas Fluorescensn/an/a
BacteriaPseudomonas Fluorescens ATCC 13525TS brothGC-MS SPMEyes
BacteriaPseudomonas Fluorescens WCS 417rLB and MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaPseudomonas Jessenii S34LB mediumGC/MSYes
BacteriaPseudomonas Putida ISOfLB and MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaPseudomonas Putida USB2105King's B AgarSPME-GC/MSNo
BacteriaPseudomonas Tolaasii NCPPB 2192KBSPME-GC
BacteriaPseudomonas Tolaasii USB66KBSPME-GC
BacteriaSalmonella Enterica Serovar EnteritidisTrypticase Soy Broth (TSB)HS-SPME/'GC-MSno
BacteriaSalmonella Paratyphi KYTS brothGC-MS SPMEyes
BacteriaSchewanella Putrefaciens ATCC 8071TS brothGC-MS SPMEyes
BacteriaSerratia Entomophilia A1MO2LB and MSHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaSerratia Marcescensn/an/a
BacteriaSerratia Marcescens Db11NBIIHeadspace trapping/ GC-MS
BacteriaSerratia Marcescens MG1LB, MS, Angle and MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaSerratia Odorifera DSM 4582NBIIHeadspace trapping/ GC-MS
BacteriaSerratia Plymuthica 4Rx13NBIIHeadspace trapping/ GC-MS
BacteriaSerratia Plymuthica AS9NBIIHeadspace trapping/ GC-MS
BacteriaSerratia Plymuthica HRO-C48LB, MS and MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaSerratia Plymuthica IC14LB, MS, Angle and MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaSerratia Proteamaculans 568NBIIHeadspace trapping/ GC-MS
BacteriaSerratia Proteamaculans B5aLB, MS and MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaSerratia Spp. B2675n/an/a
BacteriaSerratia Spp. B675n/an/a
BacteriaShigella Flexneri CGCMCC 1.1868Trypticase Soy Broth (TSB)HS-SPME/'GC-MSno
BacteriaShigella SonneiTS brothGC-MS Super Qyes
BacteriaShigella Sonnei ATCCV 25931TS brothGC-MS SPMEyes
BacteriaStaphylococcus Epidermidis ATCC 12228brain heart infusion mediumPorapak / GC/MSno
BacteriaStaphylococcus Epidermidis ATCC 14990brain heart infusion mediumPorapak / GC/MSno
BacteriaStaphylococcus Epidermidis DSM 3269brain heart infusion mediumPorapak / GC/MSno
BacteriaStaphylococcus Epidermidis RP62Abrain heart infusion mediumPorapak / GC/MSno
BacteriaStaphylococcus Haemolyticus CCM 2729brain heart infusion mediumPorapak / GC/MSno
BacteriaStaphylococcus Saccharolyticus B5709brain heart infusion mediumPorapak / GC/MSno
BacteriaStaphylococcus Schleiferi DSMZ 4807brain heart infusion mediumPorapak / GC/MSno
BacteriaStaphylococcus Schleiferi H34brain heart infusion mediumPorapak / GC/MSno
BacteriaStaphylococcus Schleiferi V431brain heart infusion mediumPorapak / GC/MSno
BacteriaStaphylococcus Warneri CCM 2730brain heart infusion mediumPorapak / GC/MSno
BacteriaStenotrophomonas Maltophilian/an/a
BacteriaStenotrophomonas Rhizophilla Ep10-p69LBHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaStreptococcus Agalactiae ATCC 27541TS brothGC-MS SPMEyes
BacteriaStreptococcus Thermophilus ATCC 14485TS brothGC-MS SPMEyes
BacteriaStreptomyces Lateritiusn/an/a
Fungi Aspergillus Sp.no
Fungi Fusarium Solanino
FungiGanoderma LucidumnaGC/MSNo
Fungi Penicillium Sppno
FungiPleurotus CystidiosusnaGC/MS, GC-O, AEDANo
FungiPleurotus Eryngii Var. TuoliensisnaGC/MS, GC-O, AEDANo
FungiSpongiporus LeucomallellusnaGC/MSNo
FungiTrichoderma Atroviridemalt extract agar; potato dextrose agar; water agar; yeast extract agar; Czapek agarSPME-GC/MSNo
FungiTrichoderma Atroviride ATCC 74058Potato dextrose agarHS-SPME/GC-MS
FungiTrichoderma ReeseiPotato dextrose agarHS-SPME/GC-MS no
FungiTrichoderma VirensPotato dextrose agarHS-SPME/GC-MS no
FungiTuber Aestivumn/an/a
FungiTuber BorchiiNoneNoneYes
FungiTuber Melanosporumn/an/a
BacteriaSerratia Sp.n/an/a
BacteriaStigmatella Aurantiaca DW4/3-1n/an/a
BacteriaStigmatella Aurantiaca Sg A15n/an/a
BacteriaWautersiella Falsenii AM238687LB liquidSPME-GC/MS
BacteriaXanthomonas Campestris Pv. Vesicatoria 85-10NBIIClosed airflow-system/GC-MS and PTR-MS


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 namedecanal
SMILESCCCCCCCCCC=O
InchiInChI=1S/C10H20O/c1-2-3-4-5-6-7-8-9-10-11/h10H,2-9H2,1H3
FormulaC10H20O
PubChem ID8175
Molweight156.269
LogP3.43
Atoms31
Bonds30
H-bond Acceptor1
H-bond Donor0
Chemical ClassificationAldehydes

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
PressureReference
0.103 mm Hg at 25 deg C/ from experimentally derived coefficientsDaubert, 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
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaBacillus Amyloliquefaciens IN937atriggers induced systemic resistance (ISR) in ArabidopsisnaRyu et al., 2004
BacteriaBacillus SimplexReduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.Gu et al., 2007
BacteriaBacillus SubtilisReduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.Gu et al., 2007
BacteriaBacillus Subtilis 168triggers induced systemic resistance (ISR) in ArabidopsisnaRyu et al., 2004
BacteriaBacillus Subtilis GB03triggers induced systemic resistance (ISR) in ArabidopsisnaRyu et al., 2004
BacteriaBacillus WeihenstephanensisReduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.Gu et al., 2007
BacteriaBiofilms A (Rivularia Sp./Calothrix Parietina Community)n/aHoeckelmann et al., 2004
BacteriaBurkholderia Hospita LMG 20598n/aBlom et al., 2011
BacteriaCalothrix Parietina PCC 6303n/aHoeckelmann et al., 2004
BacteriaCalothrix Sp.n/aHoeckelmann et al., 2004
BacteriaCarnobacterium Divergens 9Pn/aErcolini et al., 2009
BacteriaCollimonas Pratensis TER91narhizosphere of Marram grass in sandy dune soils, NetherlandsGarbeva et al., 2014
BacteriaMicrobacterium OxydansReduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.Gu et al., 2007
BacteriaPaenibacillus Sp. P4narhizosphere of Marram grass in sandy dune soils, NetherlandsGarbeva et al., 2014
BacteriaPedobacter Sp. V48narhizosphere of Marram grass in sandy dune soils, NetherlandsGarbeva et al., 2014
BacteriaPhormidium Sp.n/aHoeckelmann et al., 2004
BacteriaPlectonema Notatumn/aHoeckelmann et al., 2004
BacteriaPlectonema Sp.n/aHoeckelmann et al., 2004
BacteriaPseudomonas Fragi 25Pn/aErcolini et al., 2009
BacteriaRivularia Sp.n/aHoeckelmann et al., 2004
BacteriaSerratia MarcescensReduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.Gu et al., 2007
BacteriaSerratia Plymuthica PRI-2Cnamaize rhizosphere, NetherlandsGarbeva et al., 2014
BacteriaStenotrophomonas MaltophiliaReduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.Gu et al., 2007
BacteriaStreptomyces LateritiusReduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.Gu et al., 2007
BacteriaTolypothrix Distortan/aHoeckelmann et al., 2004
FungiAscocoryne Sarcoides NRRL 50072n/aMallette et al. 2012
FungiCladosporium CladosporiodesHedlund et al 1995
FungiCladosporium HerbarumHedlund et al 1995
FungiFusarium Graminearum 15AcDONn/aBusko et al., 2014
FungiFusarium Graminearum 15AcDON 1001tan/aBusko et al., 2014
FungiFusarium Graminearum 15AcDON ZFR 29n/aBusko et al., 2014
FungiFusarium Graminearum 15AcDON_4n/aBusko et al., 2014
FungiFusarium Graminearum 15AcDON_5n/aBusko et al., 2014
FungiFusarium Graminearum 15AcDON_6n/aBusko et al., 2014
FungiFusarium Graminearum 15AcDON_7n/aBusko et al., 2014
FungiFusarium Graminearum 15AcDON_8n/aBusko et al., 2014
FungiFusarium Graminearum 15AcDON_9n/aBusko et al., 2014
FungiFusarium Graminearum 3AcDON 1002tn/aBusko et al., 2014
FungiFusarium Graminearum 3AcDON 11791n/aBusko et al., 2014
FungiFusarium Graminearum 3AcDON 1509n/aBusko et al., 2014
FungiFusarium Graminearum 3AcDON 8046n/aBusko et al., 2014
FungiFusarium Graminearum 3AcDON NRRL38369n/aBusko et al., 2014
FungiFusarium Graminearum 3AcDON NRRL6394n/aBusko et al., 2014
FungiFusarium Graminearum 3AcDON ZFR 15n/aBusko et al., 2014
FungiFusarium Graminearum 3AcDON ZFR 37n/aBusko et al., 2014
FungiFusarium Graminearum 3AcDON ZFR 51n/aBusko et al., 2014
FungiFusarium Graminearum NIVn/aBusko et al., 2014
FungiFusarium Graminearum NIV 357n/aBusko et al., 2014
FungiFusarium Graminearum NIV ZFR 119n/aBusko et al., 2014
FungiFusarium Graminearum NIV ZFR 23n/aBusko et al., 2014
FungiFusarium Graminearum NIV ZFR 48n/aBusko et al., 2014
FungiFusarium Graminearum NIV_5n/aBusko et al., 2014
FungiFusarium Graminearum NIV_6n/aBusko et al., 2014
FungiFusarium Graminearum NIV_7n/aBusko et al., 2014
FungiFusarium Graminearum NIV_8n/aBusko et al., 2014
FungiMortierella Isabellinamor horizon of a spruce forest soil southeastern SwedenBengtsson et al 1991
FungiPenicillium Paneum (Conidia)n/aChitarra et al., 2004
FungiPenicillium SpinulosumHedlund et al 1995
FungiTrichodema Pseudokoningiin/aWheatley et al., 1997
FungiTrichodema Viriden/aWheatley et al., 1997
FungiTrichoderma VirideHung et al., 2013
FungiTuber Aestivumn/aAgricultural Centre of Castilla and León Community (Monasterio de la Santa Espina, Valladolid, Spain) and Navaleno (Soria, Spain).Diaz et al., 2003
FungiGanoderma Lucidumnasaprophytic on deciduous treesZiegenbein et al., 2006
FungiSpongiporus Leucomallellusnasaprophytic mostly on wet, old pinesZiegenbein et al., 2006
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaBacillus Amyloliquefaciens IN937aMurashige and Skoog mediumcapillary GC;GC/MSYes
BacteriaBacillus Simplexn/an/a
BacteriaBacillus Subtilisn/an/a
BacteriaBacillus Subtilis 168Murashige and Skoog mediumcapillary GC;GC/MSYes
BacteriaBacillus Subtilis GB03Murashige and Skoog mediumcapillary GC;GC/MSYes
BacteriaBacillus Weihenstephanensisn/an/a
BacteriaBiofilms A (Rivularia Sp./Calothrix Parietina Community)n/an/a
BacteriaBurkholderia Hospita LMG 20598MSHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaCalothrix Parietina PCC 6303n/an/a
BacteriaCalothrix Sp.n/an/a
BacteriaCarnobacterium Divergens 9Pn/an/a
BacteriaCollimonas Pratensis TER91sand containing artificial root exudatesGC/MSNo
BacteriaMicrobacterium Oxydansn/an/a
BacteriaPaenibacillus Sp. P4sand containing artificial root exudatesGC/MSNo
BacteriaPedobacter Sp. V48sand containing artificial root exudatesGC/MSNo
BacteriaPhormidium Sp.n/an/a
BacteriaPlectonema Notatumn/an/a
BacteriaPlectonema Sp.n/an/a
BacteriaPseudomonas Fragi 25Pn/an/a
BacteriaRivularia Sp.n/an/a
BacteriaSerratia Marcescensn/an/a
BacteriaSerratia Plymuthica PRI-2Csand containing artificial root exudatesGC/MSNo
BacteriaStenotrophomonas Maltophilian/an/a
BacteriaStreptomyces Lateritiusn/an/a
BacteriaTolypothrix Distortan/an/a
FungiAscocoryne Sarcoides NRRL 50072Minimal mediumPTR-MS and SPME GC-MS
FungiCladosporium CladosporiodesGC-MSno
FungiCladosporium HerbarumGC-MSno
FungiFusarium Graminearum 15AcDONyeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 15AcDON 1001tayeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 15AcDON ZFR 29yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 15AcDON_4yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 15AcDON_5yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 15AcDON_6yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 15AcDON_7yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 15AcDON_8yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 15AcDON_9yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 3AcDON 1002tyeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 3AcDON 11791yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 3AcDON 1509yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 3AcDON 8046yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 3AcDON NRRL38369yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 3AcDON NRRL6394yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 3AcDON ZFR 15yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 3AcDON ZFR 37yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 3AcDON ZFR 51yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum NIVyeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum NIV 357yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum NIV ZFR 119yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum NIV ZFR 23yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum NIV ZFR 48yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum NIV_5yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum NIV_6yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum NIV_7yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum NIV_8yeast extract sucrose agarSPME/GC-MS
FungiMortierella Isabellinamalt extact agardiethyl extraction, GC-MSno
FungiPenicillium Paneum (Conidia)Malt extract mediumHeadspace analysis using a Fisons Instruments autosampler HS 800 (Interscience, Breda, The Netherlands) GC/MS.
FungiPenicillium SpinulosumGC-MSno
FungiTrichodema PseudokoningiiMalt extract/Low mediumGC/MS
FungiTrichodema VirideMalt extract/Low mediumGC/MS
FungiTrichoderma VirideMalt extract agar Headspace volatiles collected with colomn/TD-GC-MSYes
FungiTuber Aestivumn/an/a
FungiGanoderma LucidumnaGC/MSNo
FungiSpongiporus LeucomallellusnaGC/MSNo


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 namedodecane
SMILESCCCCCCCCCCCC
InchiInChI=1S/C12H26/c1-3-5-7-9-11-12-10-8-6-4-2/h3-12H2,1-2H3
FormulaC12H26
PubChem ID8182
Molweight170.34
LogP5.8
Atoms38
Bonds37
H-bond Acceptor0
H-bond Donor0
Chemical ClassificationAlkanes

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
PressureReference
0.135 mm Hg at 25 deg CDaubert, T.E., R.P. Danner. Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, D.C.: Taylor and Francis, 1989.
MS-Links

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaStenotrophomonas MaltophiliaclinicPreti., 2009
BacteriaAlcaligenes Faecalisn/aZou et al., 2007
BacteriaArthrobacter Nitroguajacoliusn/aZou et al., 2007
BacteriaAzospirillum Brasilense Cdpromotion of performance of Chlorella sorokiniana Shihculture collection DSMZ 1843Amavizca et al. 2017
BacteriaBacillus Amyloliquefaciens FZB42Agriculture University of Nanjing, ChinaTahir et al. 2021
BacteriaBacillus Amyloliquefaciens IN937an/aLee et al., 2012
BacteriaBacillus Artrophaeus LSSC22Agriculture University of Nanjing, ChinaTahir et al. 2034
BacteriaBacillus Pumilus ES4promotion of performance of Chlorella sorokiniana ShihAmavizca et al. 2017
BacteriaBacillus Simplexn/aGu et al., 2007
BacteriaBacillus Spp.n/aZou et al., 2007
BacteriaBacillus Subtilisn/aGu et al., 2007
BacteriaBacillus Subtilis GB03n/aLee et al., 2012
BacteriaBacillus Weihenstephanensisn/aGu et al., 2007
BacteriaEscherichia Coli DH5apromotion of performance of Chlorella sorokiniana ShihAmavizca et al. 2017
BacteriaLysobacter Gummosusn/aZou et al., 2007
BacteriaMicrobacterium Oxydansn/aGu et al., 2007
BacteriaPaenibacillus Polymyxa E681n/aLee et al., 2012
BacteriaPseudomonas Aurantiacan/aFernando et al., 2005
BacteriaPseudomonas Chlororaphisn/aFernando et al., 2005
BacteriaPseudomonas Corrugaten/aFernando et al., 2005
BacteriaPseudomonas Fluorescensn/aFernando et al., 2005
BacteriaPseudomonas Simiae AUnarhizosphere of a soybean field in the province of Rajasthan, IndiaVaishnav et al., 2016
BacteriaSerratia Marcescensn/aGu et al., 2007
BacteriaSporosarcina Ginsengisolin/aZou et al., 2007
BacteriaStenotrophomonas Maltophilian/aZou et al., 2007
BacteriaStreptomyces Lateritiusn/aGu et al., 2007
FungiFusarium Graminearum 15AcDONn/aBusko et al., 2014
FungiFusarium Graminearum 15AcDON 1001tan/aBusko et al., 2014
FungiFusarium Graminearum 15AcDON ZFR 29n/aBusko et al., 2014
FungiFusarium Graminearum 15AcDON_4n/aBusko et al., 2014
FungiFusarium Graminearum 15AcDON_5n/aBusko et al., 2014
FungiFusarium Graminearum 15AcDON_6n/aBusko et al., 2014
FungiFusarium Graminearum 15AcDON_7n/aBusko et al., 2014
FungiFusarium Graminearum 15AcDON_8n/aBusko et al., 2014
FungiFusarium Graminearum 15AcDON_9n/aBusko et al., 2014
FungiFusarium Graminearum 3AcDON 1002tn/aBusko et al., 2014
FungiFusarium Graminearum 3AcDON 11791n/aBusko et al., 2014
FungiFusarium Graminearum 3AcDON 1509n/aBusko et al., 2014
FungiFusarium Graminearum 3AcDON 8046n/aBusko et al., 2014
FungiFusarium Graminearum 3AcDON NRRL38369n/aBusko et al., 2014
FungiFusarium Graminearum 3AcDON NRRL6394n/aBusko et al., 2014
FungiFusarium Graminearum 3AcDON ZFR 15n/aBusko et al., 2014
FungiFusarium Graminearum 3AcDON ZFR 37n/aBusko et al., 2014
FungiFusarium Graminearum 3AcDON ZFR 51n/aBusko et al., 2014
FungiFusarium Graminearum NIVn/aBusko et al., 2014
FungiFusarium Graminearum NIV ZFR 119n/aBusko et al., 2014
FungiFusarium Graminearum NIV ZFR 23n/aBusko et al., 2014
FungiFusarium Graminearum NIV ZFR 48n/aBusko et al., 2014
FungiFusarium Graminearum NIV_5n/aBusko et al., 2014
FungiFusarium Graminearum NIV_6n/aBusko et al., 2014
FungiFusarium Graminearum NIV_7n/aBusko et al., 2014
FungiFusarium Graminearum NIV_8n/aBusko et al., 2014
FungiFusarium Graminearum NIV_9n/aBusko et al., 2014
FungiPenicillium Crustosumcompost Fischer et al. 2058
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaStenotrophomonas MaltophiliaBlood agar/chocolate blood agaHS-SPME/GC-MS no
BacteriaAlcaligenes Faecalisn/an/a
BacteriaArthrobacter Nitroguajacoliusn/an/a
BacteriaAzospirillum Brasilense CdTSASPME-GCno
BacteriaBacillus Amyloliquefaciens FZB42LBSPME-GC-MSno
BacteriaBacillus Amyloliquefaciens IN937aTryptic soy agarSPME coupled with GC-MS
BacteriaBacillus Artrophaeus LSSC22LBSPME-GC-MSno
BacteriaBacillus Pumilus ES4TSASPME-GCno
BacteriaBacillus Simplexn/an/a
BacteriaBacillus Spp.n/an/a
BacteriaBacillus Subtilisn/an/a
BacteriaBacillus Subtilis GB03Tryptic soy agarSPME coupled with GC-MS
BacteriaBacillus Weihenstephanensisn/an/a
BacteriaEscherichia Coli DH5aTSASPME-GCno
BacteriaLysobacter Gummosusn/an/a
BacteriaMicrobacterium Oxydansn/an/a
BacteriaPaenibacillus Polymyxa E681Tryptic soy agarSPME coupled with GC-MS
BacteriaPseudomonas Aurantiacan/an/a
BacteriaPseudomonas Chlororaphisn/an/a
BacteriaPseudomonas Corrugaten/an/a
BacteriaPseudomonas Fluorescensn/an/a
BacteriaPseudomonas Simiae AUNutrient broth; King's B agarGC/MSNo
BacteriaSerratia Marcescensn/an/a
BacteriaSporosarcina Ginsengisolin/an/a
BacteriaStenotrophomonas Maltophilian/an/a
BacteriaStreptomyces Lateritiusn/an/a
FungiFusarium Graminearum 15AcDONyeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 15AcDON 1001tayeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 15AcDON ZFR 29yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 15AcDON_4yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 15AcDON_5yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 15AcDON_6yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 15AcDON_7yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 15AcDON_8yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 15AcDON_9yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 3AcDON 1002tyeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 3AcDON 11791yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 3AcDON 1509yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 3AcDON 8046yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 3AcDON NRRL38369yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 3AcDON NRRL6394yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 3AcDON ZFR 15yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 3AcDON ZFR 37yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 3AcDON ZFR 51yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum NIVyeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum NIV ZFR 119yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum NIV ZFR 23yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum NIV ZFR 48yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum NIV_5yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum NIV_6yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum NIV_7yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum NIV_8yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum NIV_9yeast extract sucrose agarSPME/GC-MS
FungiPenicillium Crustosumyest extract sucroseTenax/GC-MSno


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 name2-methylbutan-1-ol
SMILESCCC(C)CO
InchiInChI=1S/C5H12O/c1-3-5(2)4-6/h5-6H,3-4H2,1-2H3
FormulaCH3CH2CH(CH3)CH2OH
PubChem ID8723
Molweight88.15
LogP1.17
Atoms18
Bonds17
H-bond Acceptor1
H-bond Donor1
Chemical ClassificationAlcohols

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
PressureReference
3.13 mm Hg at 25 deg CDaubert TE; Danner RP; Physical and Thermodynamic Properties of Pure Chemicals: Data Compilation, NY: Hemisphere Pub Corp (1989)
MS-Links

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaBacillus Amyloliquefaciens IN937an/aLee et al., 2012
BacteriaBacillus Subtilis GB03n/aLee et al., 2012
BacteriaPaenibacillus Polymyxa E681n/aLee et al., 2012
FungiTuber Aestivumn/aAyme Truffe of Grignan, 26230 France March et al., 2006
FungiTuber Brumalen/aAyme Truffe of Grignan, 26230 France March et al., 2006
FungiTuber Melanosporumn/aAyme Truffe of Grignan, 26230 France March et al., 2006
FungiTuber Mesentericumn/aAyme Truffe of Grignan, 26230 France March et al., 2006
FungiTuber MiesentericumNoneNone March et al., 2006
FungiTuber Rufumn/aAyme Truffe of Grignan, 26230 France March et al., 2006
FungiMuscodor Albus CZ-620n/aCorcuff et al., 2011
BacteriaCitrobacter FreundiiAmerican Type Culture Collection Robacker and Bartelt 1997
BacteriaClostridium Difficileoutbreak 2006 UKRees et al 2016
BacteriaEnterobacter Cloacae SM 639naubiquitary,intestinalSchoeller et al., 1997
BacteriaEscherichia Colin/aBunge et al., 2008
BacteriaEscherichia Coli ATCC15547American Type Culture Collection (ATCC), Rockville, MD or wild strains identified at the University of Kentucky Dept. of Animal Sciences Food Microbiology LaboratoryElgaali et al. 2002
BacteriaKlebsiella PneumoniaeAmerican Type Culture Collection Robacker and Bartelt 1997
BacteriaMycobacterium Bovisn/aMCNerney et al., 2015
BacteriaPaenibacillus Polymyxa Sb3-1collection TU GrazRybakova et al. 2017
BacteriaSalmonella Enterican/aBunge et al., 2008
BacteriaShigella Flexnerin/aBunge et al., 2008
BacteriaStaphylococcus EpidermidisDSMZVerhulst et al. 2010
BacteriaStreptomyces Albidoflavus AMI 246n/aSchoeller et al., 2002
BacteriaStreptomyces Albus Subsp. Pathocidicus IFO 13812n/aSchoeller et al., 2002
BacteriaStreptomyces Antibioticus CBS 659.68n/aSchoeller et al., 2002
BacteriaStreptomyces Antibioticus ETH 22014n/aSchoeller et al., 2002
BacteriaStreptomyces Aureofaciens ETH 13387n/aSchoeller et al., 2002
BacteriaStreptomyces Aureofaciens ETH 28832n/aSchoeller et al., 2002
BacteriaStreptomyces Coelicolor ATCC 21666n/aSchoeller et al., 2002
BacteriaStreptomyces Coelicolor DSM 40233n/aSchoeller et al., 2002
BacteriaStreptomyces Diastatochromogenes ETH 18822n/aSchoeller et al., 2002
BacteriaStreptomyces Diastatochromogenes IFO 13814n/aSchoeller et al., 2002
BacteriaStreptomyces Griseus ATCC 23345n/aSchoeller et al., 2002
BacteriaStreptomyces Griseus IFO 13849n/aSchoeller et al., 2002
BacteriaStreptomyces Hirsutus ATCC 19773n/aSchoeller et al., 2002
BacteriaStreptomyces Hirsutus ETH 1666n/aSchoeller et al., 2002
BacteriaStreptomyces Hygroscopicus ATCC 27438n/aSchoeller et al., 2002
BacteriaStreptomyces Hygroscopicus IFO 13255n/aSchoeller et al., 2002
BacteriaStreptomyces Murinus DSM 40091n/aSchoeller et al., 2002
BacteriaStreptomyces Murinus NRRL 8171n/aSchoeller et al., 2002
BacteriaStreptomyces Olivaceus ETH 6445n/aSchoeller et al., 2002
BacteriaStreptomyces Olivaceus ETH 7437n/aSchoeller et al., 2002
BacteriaStreptomyces Rishiriensis AMI 224n/aSchoeller et al., 2002
BacteriaStreptomyces Spp. AMI 240n/aSchoeller et al., 2002
BacteriaStreptomyces Thermoviolaceus CBS 111.62n/aSchoeller et al., 2002
BacteriaThermomonospora Fusca DSM 43792nasoilWilkins, 1996
FungiAlternaria Alternata(Fr.)Keissler (DSMZ 62006) Coculture With Fusarium Oxysporum F. Aechmeae(Fr.)Schltdl. (DSMZ 62297)DSMZWeikl et al. 2017
FungiArmillaria Mellean/aMueller et al., 2013
FungiAspergillus Candiduscompost Fischer et al. 2053
FungiAspergillus Fumigatuscompost Fischer et al. 2053
FungiAspergillus Ornatusn/aMeruva et al., 2004
FungiAspergillus VersicolorSchleibinger et al.,2005
FungiAspergillus Versicolor Tiraboschinadamp indoor environments, food productsSunesson et al., 1995
FungiAspergillus Vesicolorcompost Fischer et al. 2053
Fungi Aureobasidium Pullulans FN868849applesDavis et al. 2012
FungiAureobasidium Pullulans FN868850attracts waspsisolated from apples (with lepidopteran orchard pests)Davis et al., 2012
FungiCandida Shehataecacti, fruits, insects, natural habitatsNout and Bartelt 1998
FungiCandida Tropicalisn/aBunge et al., 2008
FungiChaetomium GlobosumSchleibinger et al.,2005
FungiEmericella Nidulanscompost Fischer et al. 2053
FungiEurotium AmstelodamiSchleibinger et al.,2005
FungiHypoxylon Antochroum Blacinaendophytic in Bursera lancifoliaUlloa-Benítez et al., 2016
FungiLaccaria Bicolorn/aMueller et al., 2013
FungiPaecilomyces Variotiicompost Fischer et al. 2053
FungiPaecilomyces Variotii Bainnacompost, soils, food productsSunesson et al., 1995
FungiPaxillus Involutus MAJn/aMueller et al., 2013
FungiPaxillus Involutus NAUn/aMueller et al., 2013
FungiPencillium ChrysogenumNoneNoneMeruva et al., 2004
FungiPenicillium BrevicompactumSchleibinger et al.,2005
FungiPenicillium Chrysogenumn/aMeruva et al., 2004
FungiPenicillium Clavigerumcompost Fischer et al. 2053
FungiPenicillium Commune Pittnain dry-cured meat products, cheeseSunesson et al., 1995
FungiPenicillium Glabrumcompost Fischer et al. 2053
FungiPholiota Squarrosan/aMueller et al., 2013
FungiRhizoctonia Solani AG2-2 IIIBcollection of the Sugar Beet Research Institute, Bergen op Zoom, The NetherlandsCordovez et al. 2017
FungiRhizopus Stolonifern/aMeruva et al., 2004
FungiSaccharomyces Cerevisiaegrape vineBecher et al. 2012
FungiSaccharomyces Cerevisiae CR1control citrus black spot disease fermentation processesToffano et al. 2017
FungiStropharia Rugosoannulatan/aMueller et al., 2013
FungiTrichodema Pseudokoningiin/aWheatley et al., 1997
FungiTrichodema Viriden/aWheatley et al., 1997
FungiTrichoderma VirideHung et al., 2013
FungiTuber Aestivumn/aProf. Mattia Bentivenga (Università di Perugia, Perugia, Italy) and in the fortywoodland of the Basilicata regionMauriello et al., 2004
FungiTuber Borchiin/aProf. Mattia Bentivenga (Università di Perugia, Perugia, Italy) and in the fortywoodland of the Basilicata regionMauriello et al., 2004
FungiTuber Brumalen/aProf. Mattia Bentivenga (Università di Perugia, Perugia, Italy) and in the fortywoodland of the Basilicata regionMauriello et al., 2004
FungiTuber Excavatumn/aProf. Mattia Bentivenga (Università di Perugia, Perugia, Italy) and in the fortywoodland of the Basilicata regionMauriello et al., 2004
FungiTuber Melanosporumn/aProf. Mattia Bentivenga (Università di Perugia, Perugia, Italy) and in the fortywoodland of the Basilicata regionMauriello et al., 2004
FungiVerticillium Longisporumn/aMueller et al., 2013
FungiXylaria Sp.naHaematoxylon brasiletto, Morelos, MexicoSánchez-Ortiz et al., 2016
FungiGeotrichum Candidumcompost mixed with milky fermented productZirbes et al. 2015
BacteriaActinomycetes Spp.Is weakly active against wood-decaying fungi.Schulz and Dickschat, 2007
BacteriaLactobacillus Rhamnosus LSL 212nanaPogačić et al., 2016
FungiTuber AestivumnaTarsul (as normal forest); Daix (man made orchard)Molinier et al., 2015
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaBacillus Amyloliquefaciens IN937aTryptic soy agarSPME coupled with GC-MS
BacteriaBacillus Subtilis GB03Tryptic soy agarSPME coupled with GC-MS
BacteriaPaenibacillus Polymyxa E681Tryptic soy agarSPME coupled with GC-MS
FungiTuber Aestivumn/aPressure balanced head-space sampling and GC/TOF-MS
FungiTuber Brumalen/aPressure balanced head-space sampling and GC/TOF-MS
FungiTuber Melanosporumn/aPressure balanced head-space sampling and GC/TOF-MS
FungiTuber Mesentericumn/aPressure balanced head-space sampling and GC/TOF-MS
FungiTuber MiesentericumNonePressure balanced head-space sampling and GC/TOF-MSNo
FungiTuber Rufumn/aPressure balanced head-space sampling and GC/TOF-MS
FungiMuscodor Albus CZ-620n/aHeadspace sampler/GC-MS
BacteriaCitrobacter Freundiitryptic soy broth SPME, GC-MSyes
BacteriaClostridium Difficilebrain heart infusionGCxGC-TOF-MSyes
BacteriaEnterobacter Cloacae SM 639AB medium + 1% citrateGC-FID,GC/MS
BacteriaEscherichia Colin/an/a
BacteriaEscherichia Coli ATCC15547TS brothGC-MS Super Qno
BacteriaKlebsiella Pneumoniaetryptic soy broth SPME, GC-MSyes
BacteriaMycobacterium BovisLoewenstein-Jensen mediaHeadspace analyze / SIFT-MS and TD-GC-MS.
BacteriaPaenibacillus Polymyxa Sb3-1GC-MS / SPMEno
BacteriaSalmonella Enterican/an/a
BacteriaShigella Flexnerin/an/a
BacteriaStaphylococcus EpidermidisCLSA, charcoal, GC-MSno
BacteriaStreptomyces Albidoflavus AMI 246n/an/a
BacteriaStreptomyces Albus Subsp. Pathocidicus IFO 13812n/an/a
BacteriaStreptomyces Antibioticus CBS 659.68n/an/a
BacteriaStreptomyces Antibioticus ETH 22014n/an/a
BacteriaStreptomyces Aureofaciens ETH 13387n/an/a
BacteriaStreptomyces Aureofaciens ETH 28832n/an/a
BacteriaStreptomyces Coelicolor ATCC 21666n/an/a
BacteriaStreptomyces Coelicolor DSM 40233n/an/a
BacteriaStreptomyces Diastatochromogenes ETH 18822n/an/a
BacteriaStreptomyces Diastatochromogenes IFO 13814n/an/a
BacteriaStreptomyces Griseus ATCC 23345n/an/a
BacteriaStreptomyces Griseus IFO 13849n/an/a
BacteriaStreptomyces Hirsutus ATCC 19773n/an/a
BacteriaStreptomyces Hirsutus ETH 1666n/an/a
BacteriaStreptomyces Hygroscopicus ATCC 27438n/an/a
BacteriaStreptomyces Hygroscopicus IFO 13255n/an/a
BacteriaStreptomyces Murinus DSM 40091n/an/a
BacteriaStreptomyces Murinus NRRL 8171n/an/a
BacteriaStreptomyces Olivaceus ETH 6445n/an/a
BacteriaStreptomyces Olivaceus ETH 7437n/an/a
BacteriaStreptomyces Rishiriensis AMI 224n/an/a
BacteriaStreptomyces Spp. AMI 240n/an/a
BacteriaStreptomyces Thermoviolaceus CBS 111.62n/an/a
BacteriaThermomonospora Fusca DSM 43792Nutrient agar CM3GC/MS
FungiAlternaria Alternata(Fr.)Keissler (DSMZ 62006) Coculture With Fusarium Oxysporum F. Aechmeae(Fr.)Schltdl. (DSMZ 62297)malt extract agarSBSE-GC-MSno
FungiArmillaria MelleaMelin-Nor krans synthetic medium (modified)Headspace trapping ( using stir bar sorptive extraction )/ GC-MS
FungiAspergillus Candidusyest extract sucroseTenax/GC-MSno
FungiAspergillus Fumigatusyest extract sucroseTenax/GC-MSno
FungiAspergillus OrnatusPotato dextrose agar and tobacco products.Closedloop stripping analysis and GC/TOF-MS.
FungiAspergillus Versicoloringrain wallpaperGC/MS-SIMYes
FungiAspergillus Versicolor TiraboschiDG18GC/MS
FungiAspergillus Vesicoloryest extract sucroseTenax/GC-MSno
Fungi Aureobasidium Pullulans FN868849Sabouraud dextrose agarGC-MSyes
FungiAureobasidium Pullulans FN868850Sabouraud Dextrose AgarGC/FIDYes
FungiCandida Shehataeyeast malt agarSPME, GC-MSyes
FungiCandida Tropicalisn/an/a
FungiChaetomium Globosumingrain wallpaperGC/MS-SIMYes
FungiEmericella Nidulansyest extract sucroseTenax/GC-MSno
FungiEurotium Amstelodamiingrain wallpaperGC/MS-SIMYes
FungiHypoxylon Antochroum BlaciPDA/WA + 500 mg l^-1 ChloramphenicolSPME-GC/MSYes
FungiLaccaria BicolorMelin-Nor krans synthetic medium (modified)Headspace trapping ( using stir bar sorptive extraction )/ GC-MS
FungiPaecilomyces Variotiiyest extract sucroseTenax/GC-MSno
FungiPaecilomyces Variotii BainDG18,MEAGC/MS
FungiPaxillus Involutus MAJMelin-Nor krans synthetic medium (modified)Headspace trapping ( using stir bar sorptive extraction )/ GC-MS
FungiPaxillus Involutus NAUMelin-Nor krans synthetic medium (modified)Headspace trapping ( using stir bar sorptive extraction )/ GC-MS
FungiPencillium ChrysogenumPotato dextrose agar and tobacco products.Closedloop stripping analysis and GC/TOF-MS.Yes
FungiPenicillium Brevicompactumingrain wallpaperGC/MS-SIMYes
FungiPenicillium ChrysogenumPotato dextrose agar and tobacco products.Closedloop stripping analysis and GC/TOF-MS.
FungiPenicillium Clavigerumyest extract sucroseTenax/GC-MSno
FungiPenicillium Commune PittDG18,MEAGC/MS
FungiPenicillium Glabrumyest extract sucroseTenax/GC-MSno
FungiPholiota SquarrosaMelin-Nor krans synthetic medium (modified)Headspace trapping ( using stir bar sorptive extraction )/ GC-MS
FungiRhizoctonia Solani AG2-2 IIIBPotato Dextrose Agar6Tenax TA / TDGC-MSyes
FungiRhizopus StoloniferPotato dextrose agar and tobacco products.Closedloop stripping analysis and GC/TOF-MS.
FungiSaccharomyces Cerevisiaesynthetic minimal mediumGC-MS, EIyes
FungiSaccharomyces Cerevisiae CR1YEPDAGC/MSno
FungiStropharia RugosoannulataMelin-Nor krans synthetic medium (modified)Headspace trapping ( using stir bar sorptive extraction )/ GC-MS
FungiTrichodema PseudokoningiiMalt extract/Low mediumGC/MS
FungiTrichodema VirideMalt extract/Low mediumGC/MS
FungiTrichoderma VirideMalt extract agar Headspace volatiles collected with colomn/TD-GC-MSYes
FungiTuber Aestivumn/amicroextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)
FungiTuber Borchiin/amicroextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)
FungiTuber Brumalen/amicroextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)
FungiTuber Excavatumn/amicroextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)
FungiTuber Melanosporumn/amicroextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)
FungiVerticillium LongisporumMelin-Nor krans synthetic medium (modified)Headspace trapping ( using stir bar sorptive extraction )/ GC-MS
FungiXylaria Sp.PDA mediumSPME-GC/MSYes
FungiGeotrichum Candidummedium 863SPME-GC-MSyes
BacteriaActinomycetes Spp.n/an/a
BacteriaLactobacillus Rhamnosus LSL 212curd-based broth mediumGC/MSYes
FungiTuber AestivumnaSPME-GC/MSNo


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
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936-EP2380867A1
936-EP2380873A1
936-EP2380874A2
949-EP2269996A1
949-EP2270003A1
949-EP2270008A1
949-EP2270009A1
949-EP2272830A1
949-EP2275413A1
949-EP2275421A1
949-EP2281820A2
949-EP2281822A1
949-EP2284174A1
949-EP2287156A1
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949-EP2287159A1
949-EP2292617A1
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949-EP2308867A2
949-EP2308870A2
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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 nameethyl acetate
SMILESCCOC(=O)C
InchiInChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3
FormulaCH3COOC2H5
PubChem ID8857
Molweight88.106
LogP0.28
Atoms14
Bonds13
H-bond Acceptor1
H-bond Donor0
Chemical ClassificationEsters

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
PressureReference
93.2 mm Hg at 25 deg CDaubert TE, Danner RP; Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, DC: Taylor and Francis, (1991)
MS-Links
1D-NMR-Links

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
FungiTuber SimoneaNoneNone March et al., 2006
FungiTuber Aestivumn/aAyme Truffe of Grignan, 26230 France March et al., 2006
FungiTuber Brumalen/aAyme Truffe of Grignan, 26230 France March et al., 2006
FungiTuber Melanosporumn/aAyme Truffe of Grignan, 26230 France March et al., 2006
FungiTuber Mesentericumn/aAyme Truffe of Grignan, 26230 France March et al., 2006
FungiTuber MiesentericumNoneNone March et al., 2006
FungiTuber Rufumn/aAyme Truffe of Grignan, 26230 France March et al., 2006
FungiTuber Simonean/aAyme Truffe of Grignan, 26230 France March et al., 2006
FungiTrichodema Pseudokoningiin/aWheatley et al., 1997
FungiTrichodema Viriden/aWheatley et al., 1997
BacteriaBacillus Amyloliquefaciens IN937an/aLee et al., 2012
BacteriaBacillus Subtilis GB03n/aLee et al., 2012
BacteriaEscherichia Colin/aHettinga et al., 2008
BacteriaLeuconostoc Citreum CIRM1455nagoat cheese wheyPogačić et al., 2016
BacteriaPaenibacillus Polymyxa E681n/aLee et al., 2012
BacteriaSerratia Spp. B2675n/aBruce et al., 2004
BacteriaSerratia Spp. B675n/aBruce et al., 2004
BacteriaStaphylococcus Aureusn/aHettinga et al., 2008
BacteriaStreptococcus Dysgalactiaen/aHettinga et al., 2008
BacteriaStreptococcus Uberisn/aHettinga et al., 2008
FungiAscocoryne Sarcoides NRRL 50072n/aMallette et al. 2012
FungiCandida Shehataecacti, fruits, insects, natural habitatsNout and Bartelt 1998
Fungi Ceratocystis FagacearumLin and Phelan 1994
FungiCeratocystis Sp.Enhanced growth and sporulation of Pestalotia rhododendri at low concentrations. Inhibited growth and sporulation of Aspergillus niger.Stotzky and Schenk, 1976
FungiDipodascus AggregatusEnhanced growth and sporulation of Pestalotia rhododendri at low concentrations. Inhibited growth and sporulation of Aspergillus niger.Stotzky and Schenk, 1976
FungiGeotrichum Candidumcompost mixed with milky fermented productZirbes et al. 2011
FungiMuscodor Crispansn/aMitchell et al., 2010
FungiNeurospora Sitophila ATCC 46892n/aPastore et al.,1994
FungiNeurospora Sp.n/aPastore et al., 1994
FungiPenicillium Commune Pittnain dry-cured meat products, cheeseSunesson et al., 1995
FungiPenicillium DigitatumSchnürer et al. 1999
FungiPichia AnomalaSchnürer et al. 1999
FungiSaccharomyces CerevisiaeEnhanced growth and sporulation of Pestalotia rhododendri at low concentrations. Inhibited growth and sporulation of Aspergillus niger.Stotzky and Schenk, 1976
FungiSaccharomyces Cerevisiae CR1control citrus black spot disease fermentation processesToffano et al. 2017
FungiSaccharomyces Cerevisiae Y1001n/aBruce et al., 2004
FungiThielaviopsis BasicolaEnhanced growth and sporulation of Pestalotia rhododendri at low concentrations. Inhibited growth and sporulation of Aspergillus niger.Stotzky and Schenk, 1976
FungiTuber Aestivumn/aFortywoodland of the Basilicata regionMauriello et al., 2004
FungiTuber Brumalen/aFortywoodland of the Basilicata regionMauriello et al., 2004
FungiTuber Melanosporumn/aAgricultural Centre of Castilla and León Community (Monasterio de la Santa Espina, Valladolid, Spain) and Navaleno (Soria, Spain).Diaz et al., 2003
FungiTuber BorchiiT. melanosporum, T. borchii were collected from northern Italy (Piedmont) and T. indicum from Yunnan and Sichuan Provinces (China). Splivallo et al., 2007b
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
FungiTuber SimoneaNonePressure balanced head-space sampling and GC/TOF-MSNo
FungiTuber Aestivumn/aPressure balanced head-space sampling and GC/TOF-MS
FungiTuber Brumalen/aPressure balanced head-space sampling and GC/TOF-MS
FungiTuber Melanosporumn/aPressure balanced head-space sampling and GC/TOF-MS
FungiTuber Mesentericumn/aPressure balanced head-space sampling and GC/TOF-MS
FungiTuber MiesentericumNonePressure balanced head-space sampling and GC/TOF-MSNo
FungiTuber Rufumn/aPressure balanced head-space sampling and GC/TOF-MS
FungiTuber Simonean/aPressure balanced head-space sampling and GC/TOF-MS
FungiTrichodema Pseudokoningii