Results for:
Species: Tuber brumale

Signature

Acetaldehyde

Mass-Spectra

Compound Details

Synonymous names

Acetaldehyde polymerized

Aceticaldehyde

Acetylaldehyde

acetaldehyde

acetaldehydes

Aceteldehyde

acetoaldehyde

Ethylaldehyde

Acetaldehyd

Acetaldehyde Natural

Acetaldeyde

Azetaldehyd

ethaldehyde

aldehyde

Aldehyde acetique

ethanone

IKHGUXGNUITLKF-UHFFFAOYSA-N

NATURAL ALDEFRESH

Oxidized polyvinyl alcohol

ACETALD

Acetaldehyde, analytical standard

Acetan

acetic aldehyde

Aldeide acetica

ethanal

QMHAIX@

Acetic ethanol

acetic hydride

ethyl aldehyde

Octowy aldehyd

ACETYL GROUP

an oxidized polyvinyl alcohol

1-oxapropylene

CH2CHO

CH3CHO

AC1Q2CBI

ACETALDEHYDE, ACS

Acetaldehyde 10%

Acetaldehyde (natural)

GO1N1ZPR3B

AC1L18NF

Acetaldehyd [German]

ACMC-20alvc

oxidised poly(vinyl alcohol)

Aldehyde acetique [French]

UNII-GO1N1ZPR3B

Aldeide acetica [Italian]

DSSTox_CID_2

ethan-1-one

GTPL6277

KSC377C9B

NSC7594

Octowy aldehyd [Polish]

UN1089

CTK2H7190

HMDB00990

HSDB 230

WLN: VH1

Acetaldehyde, >=99%, meets FCC analytical specification

BIDD:ER0621

CHEMBL170365

RL04862

Aldehyde C(2)

bmse000647

C00084

CCRIS 1396

LTBB001460

RCRA waste number U001

Acetaldehyde, >=99%, FCC

DTXSID5039224

LS-1654

NSC 7594

NSC-7594

OR034199

OR201197

OR211731

OR257146

OR337227

STL264249

UN 1089

A838317

Acetaldehyde, >=99%, FG

CHEBI:15343

CHEBI:16571

NCI-C56326

Acetaldehyde solution, 5 M in THF

AN-23835

DSSTox_GSID_39224

SC-16387

TRA0071966

Acetaldehyde, >=99%, FCC, stabilized

DSSTox_RID_79423

MFCD00006991

AI3-31167

RTR-024198

TR-024198

Acetaldehyde, natural, >=99%, FG

Acetaldehyde, ReagentPlus(R), 99%

AKOS000120180

Epitope ID:145667

I14-6219

RCRA waste no. U001

FEMA No. 2003

FT-0621719

FT-0621749

FT-0668352

75-07-0

Acetaldehyde solution, 40 wt. % in isopropanol

Acetaldehyde, ACS reagent, >=99.5%

I14-57914

Acetaldehyde, 98% 100ml

Tox21_202479

Acetaldehyde solution, 50 wt. % in ethanol

Acetaldehyde, SAJ first grade, >=90.0%

F2190-0651

I14-113209

CAS-75-07-0

Acetaldehyde [UN1089] [Flammable liquid]

MCULE-6800925955

NCGC00091753-01

NCGC00260028-01

EINECS 200-836-8

Acetaldehyde solution, 50 wt. % (triacetin)

Acetaldehyde solution, 40 wt. % in H2O

Acetaldehyde solution, natural, 50 wt. % in ethanol

Acetaldehyde [UN1089] [Flammable liquid]

4998-EP0930075A1

4998-EP1441224A2

4998-EP2269979A1

4998-EP2269988A2

4998-EP2269989A1

4998-EP2269992A1

4998-EP2270004A1

4998-EP2270005A1

4998-EP2270010A1

4998-EP2270011A1

4998-EP2270014A1

4998-EP2270113A1

4998-EP2270114A1

4998-EP2272491A1

4998-EP2272517A1

4998-EP2272813A2

4998-EP2272825A2

4998-EP2272826A1

4998-EP2272831A1

4998-EP2272832A1

4998-EP2272834A1

4998-EP2272839A1

4998-EP2272840A1

4998-EP2272843A1

4998-EP2272848A1

4998-EP2272935A1

4998-EP2272972A1

4998-EP2272973A1

4998-EP2275102A1

4998-EP2275105A1

4998-EP2275395A2

4998-EP2275404A1

4998-EP2275409A1

4998-EP2275411A2

4998-EP2275412A1

4998-EP2277848A1

4998-EP2277865A1

4998-EP2277872A1

4998-EP2277878A1

4998-EP2277880A1

4998-EP2280000A1

4998-EP2280002A1

4998-EP2280006A1

4998-EP2280007A1

4998-EP2280008A2

4998-EP2280012A2

4998-EP2281812A1

4998-EP2281824A1

4998-EP2284146A2

4998-EP2284147A2

4998-EP2284148A1

4998-EP2284157A1

4998-EP2284160A1

4998-EP2286812A1

4998-EP2286915A2

4998-EP2287147A2

4998-EP2287153A1

4998-EP2287158A1

4998-EP2287159A1

4998-EP2287165A2

4998-EP2287166A2

4998-EP2289868A1

4998-EP2289871A1

4998-EP2289882A1

4998-EP2289890A1

4998-EP2289893A1

4998-EP2289894A2

4998-EP2292227A2

4998-EP2292576A2

4998-EP2292586A2

4998-EP2292589A1

4998-EP2292593A2

4998-EP2292610A1

4998-EP2292620A2

4998-EP2295401A2

4998-EP2295407A1

4998-EP2295411A1

4998-EP2295414A1

4998-EP2295418A1

4998-EP2295426A1

4998-EP2295427A1

4998-EP2295433A2

4998-EP2295434A2

4998-EP2295435A1

4998-EP2295437A1

4998-EP2295439A1

4998-EP2298312A1

4998-EP2298734A2

4998-EP2298736A1

4998-EP2298744A2

4998-EP2298749A1

4998-EP2298757A2

4998-EP2298758A1

4998-EP2298759A1

4998-EP2298767A1

4998-EP2298770A1

4998-EP2298775A1

4998-EP2298778A1

4998-EP2298780A1

4998-EP2298783A1

4998-EP2299509A1

4998-EP2301544A1

4998-EP2301911A1

4998-EP2301912A2

4998-EP2301916A2

4998-EP2301927A1

4998-EP2301929A1

4998-EP2301930A1

4998-EP2301931A1

4998-EP2301933A1

4998-EP2301935A1

4998-EP2301940A1

4998-EP2302382A2

4998-EP2302383A2

4998-EP2305250A1

4998-EP2305627A1

4998-EP2305629A1

4998-EP2305633A1

4998-EP2305648A1

4998-EP2305652A2

4998-EP2305660A1

4998-EP2305664A1

4998-EP2305668A1

4998-EP2305672A1

4998-EP2305674A1

4998-EP2305677A1

4998-EP2305679A1

4998-EP2305682A1

4998-EP2305684A1

4998-EP2305685A1

4998-EP2305686A1

4998-EP2305687A1

4998-EP2305808A1

4998-EP2305825A1

4998-EP2308562A2

4998-EP2308833A2

4998-EP2308838A1

4998-EP2308840A1

4998-EP2308841A2

4998-EP2308844A2

4998-EP2308845A2

4998-EP2308846A2

4998-EP2308848A1

4998-EP2308850A1

4998-EP2308851A1

4998-EP2308852A1

4998-EP2308861A1

4998-EP2308867A2

4998-EP2308870A2

4998-EP2308872A1

4998-EP2308874A1

4998-EP2308879A1

4998-EP2308882A1

4998-EP2308883A1

4998-EP2308960A1

4998-EP2311796A1

4998-EP2311797A1

4998-EP2311798A1

4998-EP2311799A1

4998-EP2311801A1

4998-EP2311802A1

4998-EP2311803A1

4998-EP2311806A2

4998-EP2311808A1

4998-EP2311818A1

4998-EP2311820A1

4998-EP2311822A1

4998-EP2311827A1

4998-EP2311829A1

4998-EP2311830A1

4998-EP2311837A1

4998-EP2311841A1

4998-EP2311842A2

4998-EP2314295A1

4998-EP2314574A1

4998-EP2314576A1

4998-EP2314579A1

4998-EP2314587A1

4998-EP2316470A2

4998-EP2316824A1

4998-EP2316825A1

4998-EP2316826A1

4998-EP2316829A1

4998-EP2316831A1

4998-EP2316832A1

4998-EP2316833A1

4998-EP2316836A1

4998-EP2316974A1

4998-EP2371811A2

4998-EP2371814A1

4998-EP2372017A1

4998-EP2374454A1

4998-EP2374780A1

4998-EP2374781A1

4998-EP2374783A1

4998-EP2374788A1

4998-EP2377841A1

4998-EP2377844A2

4998-EP2380871A1

MolPort-001-783-184

Acetaldehyde solution, natural, 50 wt. % in ethanol, analytical standard

21553-EP2287165A2

21553-EP2314295A1

21553-EP2314574A1

26915-EP2280009A1

26915-EP2305662A1

26915-EP2308857A1

26915-EP2314583A1

37566-EP2277867A2

37566-EP2280003A2

37566-EP2281820A2

37566-EP2284157A1

37566-EP2286811A1

37566-EP2287159A1

37566-EP2292227A2

37566-EP2298746A1

37566-EP2298750A1

37566-EP2298754A1

37566-EP2298758A1

37566-EP2298759A1

37566-EP2298763A1

37566-EP2298778A1

37566-EP2305664A1

37566-EP2305682A1

37566-EP2308861A1

37566-EP2308879A1

37566-EP2311802A1

37566-EP2311803A1

37566-EP2311840A1

37566-EP2374783A1

37566-EP2377841A1

37566-EP2377842A1

37566-EP2380874A2

Acetaldehyde solution, natural, 50 wt. % ethanol, FG

108796-EP2277864A1

108796-EP2280002A1

108796-EP2298305A1

108796-EP2298769A1

170111-EP2275413A1

170111-EP2287156A1

Acetaldehyde, ReagentPlus(R), >=99.0% (GC)

InChI=1/C2H4O/c1-2-3/h2H,1H

BRD-K77914232-001-01-3

Acetaldehyde, puriss. p.a., anhydrous, >=99.5% (GC)

Microorganism:

Yes

IUPAC name

acetaldehyde

SMILES

CC=O

Inchi

InChI=1S/C2H4O/c1-2-3/h2H,1H3

Formula

CH₃CHO

PubChem ID

177

Molweight

44.053

LogP

-0.38

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

Aldehydes

mVOC Specific Details

Volatilization

The Henry's Law constant for acetaldehyde is 6.67X10-5 atm-cu m/mole(1). This Henry's Law constant indicates that acetaldehyde 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 11 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 5.3 days(SRC). Acetaldehyde's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). Acetaldehyde is expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 902 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) Boublik T et al; The vapor pressures of pure substances. Vol. 17. Amsterdam, Netherlands: Elsevier Sci. Publ p. 125 (1984)

Soil Adsorption

Using a structure estimation method based on molecular connectivity indices(1), the Koc of acetaldehyde can be estimated to be 1(SRC). According to a classification scheme(2), this estimated Koc value suggests that acetaldehyde 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 Feb 21, 2015: http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm (2) Swann RL et al; Res Rev 85: 17-28 (1983)

Vapor Pressure

Pressure	Reference
902 mm Hg at 25 deg C;758 mm Hg at 20 deg C	Boublik, T., Fried, V., and Hala, E., The Vapour Pressures of Pure Substances. Second Revised Edition. Amsterdam: Elsevier, 1984., p. 125

MS-Links

MS-MS Spectrum 22671

MS-MS Spectrum 1380 - Quattro_QQQ 40V Positive delivery=Flow_Injection analyzer=Triple_Quad

MS-MS Spectrum 21121

MS-MS Spectrum 21120

MS-MS Spectrum 21119

MS-MS Spectrum 1379 - Quattro_QQQ 25V Positive delivery=Flow_Injection analyzer=Triple_Quad

MS-MS Spectrum 22672

MS-MS Spectrum 22670

MS-MS Spectrum 1378 - Quattro_QQQ 10V Positive delivery=Flow_Injection analyzer=Triple_Quad

MS-Links

GC-MS Spectrum 3167

1D-NMR-Links

1D NMR Spectrum 3310 - 50.18 MHz 13C NMR

1D NMR Spectrum 4729

1D NMR Spectrum 2611 - JEOL 300 MHz 1H NMR

Microorganisms emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Bacteria	Staphylococcus Aureus		National collection of type cultures (NCTC) UK	Tait et al., 2014
Bacteria	Coagulase Negative Staphylococci		milk of cows	Hettinga et al 2010
Bacteria	Escherichia Coli	n/a		Bunge et al., 2008
Bacteria	Salmonella Enterica	n/a		Bunge et al., 2008
Bacteria	Shigella Flexneri	n/a		Bunge et al., 2008
Bacteria	Staphylococcus Aureus	n/a		Jia et al., 2010
Bacteria	Streptococcus Dysgalactiae		milk of cows	Hettinga et al 2010
Bacteria	Streptococcus Uberis		milk of cows	Hettinga et al 2010
Fungi	Amylostereum			Madden 1968
Fungi	Candida Shehatae		cacti, fruits, insects, natural habitats	Nout and Bartelt 1998
Fungi	Candida Tropicalis	n/a		Bunge et al., 2008
Fungi	Muscodor Crispans	n/a		Mitchell et al., 2010
Fungi	Penicillium Camemberti			Larsen 1999
Fungi	Penicillium Caseifulvum			Larsen 1999
Fungi	Pleurotus Ostreatus DS284	na	widespread in many temperate and subtropical forests throughout the world, saprobe	Cantore et al., 2015
Fungi	Puccinia Graminis Var. Tritici	Inhibited growth of fungi(Aspergillus niger). Has no effect on bacteria.		Stotzky and Schenk, 1976
Fungi	Saccharomyces Cerevisiae	Inhibited growth of fungi(Aspergillus niger). Has no effect on bacteria.		Stotzky and Schenk, 1976
Fungi	Trichoderma Sp.	Inhibited growth of fungi(Aspergillus niger). Has no effect on bacteria.		Stotzky and Schenk, 1976
Fungi	Tuber Simonea	None	None	March et al., 2006
Fungi	Tuber Aestivum	n/a	Ayme Truffe of Grignan, 26230 France	March et al., 2006
Fungi	Tuber Borchii	na	na	Splivallo and Ebeler 2015
Fungi	Tuber Brumale	n/a	Ayme Truffe of Grignan, 26230 France	March et al., 2006
Fungi	Tuber Melanosporum	n/a	Ayme Truffe of Grignan, 26230 France	March et al., 2006
Fungi	Tuber Mesentericum	n/a	Ayme Truffe of Grignan, 26230 France	March et al., 2006
Fungi	Tuber Miesentericum	None	None	March et al., 2006
Fungi	Tuber Oligospermum	n/a	Prof. Mattia Bentivenga (UniversitÃƒÂ di Perugia, Perugia, Italy) and in the fortywoodland of the Basilicata region	Mauriello et al., 2004
Fungi	Tuber Rufum	n/a	Ayme Truffe of Grignan, 26230 France	March et al., 2006
Fungi	Tuber Simonea	n/a	Ayme Truffe of Grignan, 26230 France	March et al., 2006

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Bacteria	Staphylococcus Aureus	MÃ¼ller Hinton broth	GC-MS(HPwax)	no
Bacteria	Coagulase Negative Staphylococci		GCMS DSQ	no
Bacteria	Escherichia Coli	n/a	n/a
Bacteria	Salmonella Enterica	n/a	n/a
Bacteria	Shigella Flexneri	n/a	n/a
Bacteria	Staphylococcus Aureus	Mueller Hinton broth	HS-SPME/GC-MS
Bacteria	Streptococcus Dysgalactiae		GCMS DSQ	no
Bacteria	Streptococcus Uberis		GCMS DSQ	no
Fungi	Amylostereum			no
Fungi	Candida Shehatae	yeast malt agar	SPME, GC-MS	yes
Fungi	Candida Tropicalis	n/a	n/a
Fungi	Muscodor Crispans	potato dextrose agar	SPME-GC-MS
Fungi	Penicillium Camemberti			no
Fungi	Penicillium Caseifulvum			no
Fungi	Pleurotus Ostreatus DS284	MEA	SPME-GC
Fungi	Puccinia Graminis Var. Tritici	n/a	n/a
Fungi	Saccharomyces Cerevisiae	n/a	n/a
Fungi	Trichoderma Sp.	n/a	n/a
Fungi	Tuber Simonea	None	Pressure balanced head-space sampling and GC/TOF-MS	No
Fungi	Tuber Aestivum	n/a	Pressure balanced head-space sampling and GC/TOF-MS
Fungi	Tuber Borchii	na	SPME-GC/MS/O); GC-R	Yes
Fungi	Tuber Brumale	n/a	Pressure balanced head-space sampling and GC/TOF-MS
Fungi	Tuber Melanosporum	n/a	Pressure balanced head-space sampling and GC/TOF-MS
Fungi	Tuber Mesentericum	n/a	Pressure balanced head-space sampling and GC/TOF-MS
Fungi	Tuber Miesentericum	None	Pressure balanced head-space sampling and GC/TOF-MS	No
Fungi	Tuber Oligospermum	n/a	microextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)
Fungi	Tuber Rufum	n/a	Pressure balanced head-space sampling and GC/TOF-MS
Fungi	Tuber Simonea	n/a	Pressure balanced head-space sampling and GC/TOF-MS

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

2941-EP2275414A1

2941-EP2275415A2

2941-EP2275416A1

2941-EP2275419A2

2941-EP2275423A1

2941-EP2275424A1

2941-EP2275425A1

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6121-EP0930075A1

Acetone, for residue analysis, suitable for 5000 per JIS

MolPort-000-871-974

Acetone [UN1090] [Flammable liquid]

79278-EP2305695A2

79278-EP2305696A2

79278-EP2305697A2

79278-EP2305698A2

81217-EP2298761A1

81217-EP2301544A1

81217-EP2305254A1

81217-EP2305687A1

88746-EP2275105A1

88746-EP2305825A1

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

Acetone, purum, >=99.0% (GC)

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

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

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

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

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

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

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

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

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

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

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

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

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

Microorganism:

Yes

IUPAC name

propan-2-one

SMILES

CC(=O)C

Inchi

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

Formula

CH₃COCH₃

PubChem ID

180

Molweight

58.08

LogP

0.11

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

Ketones

mVOC Specific Details

Volatilization

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

Soil Adsorption

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

Vapor Pressure

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

MS-Links

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

MS-MS Spectrum 17621

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

MS-MS Spectrum 17623

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

MS-MS Spectrum 17622

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

MS-MS Spectrum 10950

MS-MS Spectrum 10951

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

MS-MS Spectrum 10949

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

1D-NMR-Links

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

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

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

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

Microorganisms emitting the compound

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

Method

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

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)

Microorganism:

Yes

IUPAC name

butan-1-ol

SMILES

CCCCO

Inchi

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

Formula

CH₃CH₂CH₂CH₂OH

PubChem ID

263

Molweight

74.123

LogP

0.81

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

Alcohols

mVOC Specific Details

Volatilization

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

Soil Adsorption

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

Vapor Pressure

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

MS-Links

MS-MS Spectrum 20950

MS-MS Spectrum 22288

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

MS-MS Spectrum 22499

MS-MS Spectrum 20736

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

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

1D-NMR-Links

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

1D NMR Spectrum 5023

1D NMR Spectrum 5024

Microorganisms emitting the compound

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

Method

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

Ethanol

Mass-Spectra

Compound Details

Synonymous names

Altitudemedical Hand Antibacterial

Antibacterial Sanitizer

Careone Antibacterial Sanitizer Limoncello

Germstarcitrus

Methylcarbinol

Aethylalkohol

Antibacterial Hand Gingerbread

Antibacterial Hand Sanitizer Sunblossom

Boolicious Antibacterial Hand Sanitizer

Careone Antibacterial Sanitizer Gingerbread House

Careone Antibacterial Sanitizer Peppermint Candy

Ethylalcohol

Germstarnoro

Germstarnoro Unscented

Hand Sanitizer Passionfruit Pomegranate

Humphreys Alcoholado Maravilla

Hydroxyethane

Industrial Antiseptic Sanitizer

Jurlique Moisturizing Hand Sanitizer Natural Antibacterial

Marshmallow Antibacterial Hand

Pretty Peppermint Antibacterial

Sekundasprit

Strawberry Antibacterial Hand Sanitizer

Actiprep Preoperative Skin Preparation

Antibacterial Hand Sanitizer

Antibacterial Hand Sanitizer Pamegranate Apple

Antibacterial Hand Towelettes

Antibactierial Hand Sanitizer

Antimicrobial Hand Sanitizer

Aprilguard Antiseptic Handrub

Boolicious Antibacterial Hand

Cucumber Melon Antibacterial Sanitizer

Dial Professional Antibacterial Hand Sanitizer

Ethanolum anhydricum

Fermentation alcohol

Gingerbread

Hamamelis virginiana

Hinetoless

Holiday Cookie Antibacterial

Instafresh

Lalaloopsy Watermelon Antiseptic Hand Cleansing

Lavender Antibacterial Hand Sanitizer

Mandarin Antibacterial Hand Sanitizer

Marshmallow

Methylated Spirit Mineralised

Oxydimethylene Group

Raspberry Guava Antibacterial

Safesha Unfragranced

Spatheraphy

Spatherapy Grapefruit Nectar

Spatherapy Lemon Pomegranate

Triseptin Waterless

undenatured Ethanol

Advanced

Aethanol

Alcohol anhydrous

Alcohol dehydrated

Alcohols

Alkoholu etylowego

Almond Antibacterial Hand Sanitizer

Anhydrol

Anhydrous alcohol

Anhydrous ethanol

Antiacterial Hand Sanitizer

Blackberry Vanilla Hand Sanitizer Bodycology

Body Luxuries Strawberry Shortcake Antibacterial Hand Sanitizer

Bodycology Moisturizing Hand Sanitizer Cherry Blossom

Bodycology Moisturizing Hand Sanitizer Cucumber Melon

Bodycology Moisturizing Hand Sanitizer Midnight Garden

Bodycology Vanilla Cupcake

Careone Antibacterial Hand Sanitizer Mistletoe Kisses

Careone Antibacterial Hand Sanitizer Seasons Greetings

Clorox Antimicrobial Hand Sanitizer

Coconut Antibacterial Hand Sanitizer

Coconut Lime Antibacterial Sanitizer

Colemanhand Sanitizer Hand Sanitizer

Cranberry Vanilla Scented Antibacterial Hand Sanitizer

Decolorized Iodine

Dehydrated alcohol

Dehydrated ethanol

Denatured alcohol

Denatured ethanol

Distilled spirits

Egyptian Cotton Antibacterial Hand Sanitizer

Ethanol Anhydrous

Ethanol vergaellt

Foamahol

Hand Sanitizing Strawberry

Handful Sanitizer

Hanitizer

HYDROXYETHYL GROUP

Infectiguard Hand Sanitizer

Justice Watermelon Scent Antibacterial Hand Sanitizer

LFQSCWFLJHTTHZ-UHFFFAOYSA-N

Lollipop

Medisoft

Methylated spirit

Microban

Microban Unscented

Moisturizing Hand Sanitizer

Moisturizing Instant Hand Sanitizer

Naturals Vanilla Antibacterial Hand

Peppermint Swirl Antibacterial Hand Sanitizer

Pineapple Paradise

Pink Grapefruit Antibacterial Hand Sanitizer

POLYETHYLENGLYCOL11

Proandre

Purell Advanced Refreshing

Purell Alcohol Formulation

Sanifoam

Sanitaxe

Sanitizer

Satsuma Antibacterial Hand Sanitizer

Shopko Antibacterial Hand Sanitizer

Smartcare Shopkins

Spatherapy Eucalyptus Mint

Spatherapy Lavender Jasmine

Spatherapy Raspberry Brulee

Sterillium Comfort

Strawberry Champagne Hand Sanitizer

Swirling Lollipop

Twisted Peppermint

Unscented

Vanilla Cupcake Antibacterial Hand Sanitizer

Very Vanilla Antibacterial

Xtracare Lavender Chamomile

Zylast Antiseptic

absolute alcohol

Absolute ethanol

Aftermath Hand Sanitizer

alcohol

alcohol etilico

Alcool ethylique

Algrain

Alkohol

Antibacterial Hand Cranberry Spice

Antibacterial Hand Sanitizer Citrus Coconut

Antibacterial Hand Sanitizer Passion Flower

Antibacterial Hand Sanitizer Pocket Sprayer

Antibacterial Hand Sanitizer Spray

Antiseptic Hand Sanitizer

Assured Instant

Aurora Antibacterial Sanitizer Summer Cotton Breeze

Beautos Antibacterial Hand Sanitizer Lemon

Bodycology Moisturizing Hand Sanitizer Sweet Petals

Bodycology Moisturizing Hand Sanitzer White Gardenia

Branders Antiseptic Hand Sanitizer

Cardinal Health Sanitizer

Careone

Careone Antibacterial Sanitizer Fresh Water

Celox Antiseptic

Charlie Girl Blueberry Antibacterial Hand Sanitizer

Charlie Girl Strawberry Antibacterial Hand Sanitizer

Claires

Claires Fancy Nancy Antibacterial Strawberry Parfait

Claree

Clinishield Instant Hand Sanitizer

Coconut Tuberose

Cologne spirits

Cranberry Hand Sanitizer

Creamsicle Hand Sanitizer

Cupcake

Daisy Blossom Antibacterial Hand Sanitizer

Deb Instantfoam Alcohol Sanitizer

Deb Instantfoam Complete

Dermagel Hand Sanitizing

Digisan

Digisan Healthcare Hand Sanitizer

diluted Alcohol

Drinking alcohol

Elyptol Antimicrobial Rub

Enchanted Forest Hand Sanitizer Bodycology

Envirokleen Instant Hand Sanitizer

etanol

Etanolo

ethanol

Ethanol Absolute

Ethanol solution

Ethicap

Ethyl hydroxide

Ethylic alcohol

Ethylol

Etylowy alkohol

Facilipro Hand Sanitizer

Fengliaoxing Fengshi Dieda Yaojiu

Freshorize Hand Sanitizer

Hand Sanitizer Anticeptic

Hand Sanitizer Bodycology

Hand Sanitizer Ultrathon

Hand Sanitizing Blueberry

Hand Sanitizing Lavender

Hand Sanitizing Mandarin

Hand Sanitizing Unscented

Hannaford Hand Sanitizer

Hibiscus Breeze

Higher alcohol distillate

Honeysuckle Ginger Hand Sanitizer

Instant Hand Sanitizer Kickprints

Instantfoam Alcohol Hand Sanitizer

Iris Antimicrobial Hand Sanitizer

Jaysol

Kleenex Moisturizing Instant Hand Sanitizer

Mango Antibacterial Hand Sanitizer

Medichoice Hand Sanitizer

Megafresh Hand Sanitizer

Modesa

Molasses alcohol

Naturals Cucumber Melon Antibacterial Hand

Olive Antibacterial Hand Sanitizer

Orange Blossom Antibacterial Hand

Peppermint Hand Sanitizer

Pomegranate Scented Hand Sanitizer

Preference Hand Sanitizer

Prevail Hand Sanitizer Lemongrass

Prevail Pomegranate Hand Sanitizer

Prevent

Proformance Foam Alcohol Sanitizer

Pumpkin Spice Antibacterial Hand Sanitizer

Punctilious ethyl alcohol

QMHAIh@

Raspberry Hand Sanitizer

Reagent Alcohol

Recens

Regimen

Rubbing

Safeguard Hand Sanitizer

Safesha Lavender

Sanitizer Hand Sanitizer

Sassy Strawberry

Sea Marine Antibacterial

Skintegrity Instant Hand Sanitizer

Softsan

Spirit

Spooky Pumpkin Antibacterial Hand Sanitizer

Spooky Vanilla Antibacterial Hand

Spooky Vanilla Antibacterial Hand Sanitizer

Strawberry Hand Sanitizer

Sunkissed Honeydew Hand Sanitizer

Sunmark Iodides Tincture

Synasol

Tecsol

Thanol

Topcare Apple Pomegranate

Trailways Hand Sanitizer

Unscented Hand Sanitizer

Vanilla Sugar Antibacterial Hand Sanitizer

Vindicator Instant Hand Sanitizer

Vinotinto Hand Sanitizer

Waterless Hand Sanitizer

Absolute ethyl alcohol

Actigel Hand Sanitizer

Advanced Hand Sanitizer

Alcare Foamed Antiseptic Handrub

Alcohol Wipes

Alcool etilico

Alcoscrub Foam

Alcoscrub Hand Cleaner

Anti-bacterial Hand Aromatherapy Stress Relief Eucalyptus Spearmint

Anti-bacterial Hand Sanitizer Eucalyptus Spearmint

Anti-bacterial Hand Sparkling Limoncello

Antibacterial Hand Arctic Blast

Antibacterial Hand Sanitizer Gel

Antibacterial Hand Sanitizer Pomegranate and Acai

Antibacterial Hand Sanitizer Sunflower and Citrus

Antimicrobial Alcohol Hand Wipes

Antimicrobial Hand Sanitizing Lotion Mango Scented

Antimicrobial Hand Wipe

Aogel

Assured Hand Sanitizer With Moisturizers

Aurora Antibacterial Sanitizer Sweet Lychee Berry

Azuro

Bactex Antiseptic Hand Sanitizer

Bella Maison Coconut Pineapple Antibacterial Hand Sanitizer

Bella Maison Tropical Vanilla Antibacterial Hand Sanitizer

Berkley Jensen Instant Sanitizer

Body Luxuries French Lavender Antibacterial Hand Sanitizer

Body Luxuries Tihitian Vanilla Antibacterial Hand Sanitizer

Body Luxuries Vanilla Frosting Antibacterial Hand Sanitizer

Bodycology Cherry Blossom Hand Sanitizer

Bodycology Cucumber Melon Hand Sanitizer

Bodycology Moisturizing Hand Sanitizer Brown Sugar Vanilla

Bodycology Sweet Petals

Care

Careone Antibacterial Hand Sanitizer Pumpkin Roll

Careone Antibacterial Sanitizer Pecan Pumpkin Pie

Careone Lemon

Cinnamon Sugar

Claires Fancy Nancy Antibacterial Glamourous Grape

Clear Defense

Clinishield Instant Hand Sanitizer Fragrance Free

Coconut Lime Antibacterial Hand Sanitizer

Cologne Spirit

Compact Hand Sanitizer

Cranberry Cake

Cvs Pharmacy Advanced Tangerine

Dawnmist Alcohol Hand Sanitizer

Defender Foaming Hand Sanitizer

Dermacen Instant Hand Sanitizer

Desinfektol EL

Desmanol Pure

Digisan Hand Sanitizer

Disney Princess Raspberry Scented Antiseptic Hand Cleansing

Dreumex Omnicare Hand Sanitizer

Dynarex Green

Enchanted Moments Mistletoe Kisses Hand Sanitizer

Ethanol Vapor

ethyl alcohol

Ethyl alcohol anhydrous

Ethyl alcohol,absolute

Ethyl hydrate

Ethyloxy Group

EtOH

Everyone Hand Sanitizer Peppermint Citrus

Fast

Floral Frenzy

Foaming Hand Sanitizer

Foaming Sanitizing Hand

Freeman Packaging Hand Sanitizer

Fresh Cucumber Melon Bodycology

Gbgf

Genuine Hand Sanitizer

Goongsecret Hands Clean

grain alcohol

Hand Sanitizer Orange Tangerine

Hand Sanitizer Prevail

Hand Sanitizer Spicy Peppermint

Hand Sanitizer Spraying

Hand Sanitizer With Moisturizers

Hawaiian Passion Hand Sanitizer

Healthcare Instant Hand Sanitizer Strawberry Scent

Hibiscus Coconut Hand Sanitizer

Hillyard Instant Hand Sanitizer

Hydrating Instant Hand Sanitizer

Icing

Infectiguard Fast Acting Antiseptic Hand Sanitizer

Infectiguard Fast Acting Antiseptic Hand Sanitizer With Moisturizer

Infinity Pure

Instant Hand Antiseptic

Instant Hand Sanitizer

Instant Hand Sanitizer Lavender

Instant Hand Sanitizer Original

Instant Hand Sanitizer Strawberry Scented

Instant Hand Sanitizer Twisted Peppermint

Instant Hand Sanitizer Unscented

Instant Hand Sanitizer With Moisturizers

Instant Hand Sanitizer With Moisturizers Unscented

Irresistible Apple Scented Hand Sanitizer

Jingle Berry Scented Antibacterial Hand Sanitizer

Kleenex Hand Sanitizer

Kleenex Ultra Moisturizing Hand Sanitizer

Knockout Hand Sanitizer

Lavender De Provence Antibacterial Hand Sanitizer

Lavender Hand Sanitizer

Lemon Thyme Antibacterial Hand Sanitizer

Letters Lavender Hand Sanitizer

Luscious Lime

Mandarin Orange and Lemon Antibacterial Sanitizer

Mckesson Hand Sanitizer

Modesa Antibacterial Hand Sanitizer Lemon

Mommy Tillia Antibacterial Hand

Naturals Pomegranate and Mango Antibacterial Hand

Novaclenz Instant Hand Sanitizer

Ocean Breeze Antibacterial Hand

Orange Spice Scented Antibacterial Hand Sanitizer

Organic Lavender Hand Sanitizer

Panrosa Instant Antiseptic Hand Sanitizer With Moisturizers

Papaya Mango Antibacterial Hand

Perfect Purity Advanced Hand Sanitizer Refreshing

Pomegranate Rose Hand Sanitizer

Potato alcohol

Premium Hand Sanitizer

Prevent Hand Sanitizer

Procure Hand Sanitizing

Purell Advanced Hand Sanitizer Refreshing Florals

Purell Advanced Hand Sanitizer Winterberry Delight

Purell Advanced Refreshing Aloe

Purell Personal Pack Sanitizing

Purell Waterless Surgical Scrub

Puritan Hand Sanitizer

Quality Choice Iodides Tincture

Raspberry Vanilla Scented Waterless Hand Sanitizer

Reagent Alcohol, spectrophotometric grade

Sani

Sanifoam Hand Sanitizer

Sanigizer Plus

Sanitizing Alcohol Rub

Scott Moisturizing Instant Hand Sanitizer

Septosan Hand Sanitizer

Shopkins Hand Sanitizer

Signature Alcohol Foaming Hand Sanitizer

silent spirit

Skintegrity Foaming Hand Sanitizer Fragrance Free

Softsoap Instant Hand Sanitizer With Moisturizers

spiritus vini

Spirt

Sterillium Med

Sterillium Rub

Sugar Cookies Scented Antibacterial Hand Sanitizer

Sugared Pear Antibacterial Hand Sanitizer

Sweet Daisy Antibacterial Hand Sanitizer

Sweet Lemon Antibacterial Hand Sanitizer

Swiss Hand Guard Antiseptic Handwash Antibacterial

Symmetry Foaming Hand Sanitizer

Symmetry Foaming Hand Sanitizer-unscented

Symmetry Hand Sanitizer

Sysco Reliance

Topcare Hand Sanitizer

Vanilla Bean Antibacterial Hand

Vanilla Bean Antibacterial Hand Sanitizer

Vanilla Hand Sanitizer

Vanilla Mint Antibacterial Hand Sanitizer

Vanilla Sugar Antibacterial Hand

Walgreens Instant Hand Sanitizer

Waterless Lavender Scented Hand Sanitizer

Winter Vanilla Hand Sanitizer Bodycology

Xtracare Cucumber Melon

Xtracare Instant Hand Sanitizer

Xtracare Instant Hand Sanitizer Original

Zep Professional Alcohol Hand Sanitizing

Zylast Antiseptic Surgical Scrub

Aidplus Alcohol Cleansing Pad

Aire-master

Alcare Hand Degermer

Alcohol Foaming Hand Sanitizer

Alcohol Swab

American Infection Control Antiseptic Body Wipes

American Infection Control Antiseptic Hand Wipes

Angel Foodcake Hand Sanitizer

Anti Bacterial Hand Sanitizer

Anti-bacterial Hand Copacabana Coconut

Anti-bacterial Hand Fresh Strawberries

Anti-bacterial Hand Marshmallow Mittens

Anti-bacterial Hand Sanitizer

Anti-bacterial Hand Sanitizer Fresh Strawberries

Anti-bacterial Hand Stache Pomegranate

Anti-bacterial Hand Twisted Peppermint

Anti-bacterial Hand Watermelon Lemonade

Antibacterial Hand Candy Cane

Antibacterial Hand Polar Mint

Antiseptic Hand Cleansing Gel

Aplicare Antiseptic Hand Rinse

Assured Aloe

Assured Instant Hand Sanitizer

Body Luxuries Moroccan Rose Antibacterial Hand Sanitizer

Body Luxuries Waterless Hand Sanitizer

Bodycology Sweet Petals Hand Sanitizer

Bortons Ethyl Rubbing Alcohol

Candy Apple

Careone Antibacterial Hand Sanitizer Winter Sky

Celox Ultra

Charlie Girl Grape Antibacterial Hand Sanitizer

Cherry Blossom Waterless Anti-antibateria Hand Sanitizer

Citrus Hand Sanitizer

Clara Instant Waterless Hand Sanitizer

Clario Instant Hand Sanitizer

Clean Choice Alcohol Sanitizer

Clean Hand Sanitizer

Clinical Works Lavender Blossom Waterless Hand Sanitizer

Clorox Hand Sanitizer

Coconut Vanilla Hand Sanitizer

Command Antibac Instant Hand Sanitizer

Cotton Blossom Waterless Anti-antibateria Hand Sanitizer

Cotton Candy

Cranberry Cherry Scented Hand Sanitizer

Cucumber Melon Hand Sanitizer

Deb Instantfoam Alcohol Hand Sanitizer

Elyptol Antimicrobial Hand Gel

EOH

EOX

Essence Of Beauty Japanese Garden Antibacterial

Ethanol, undenatured

Exotic Cherry Hand Sanitizer Bodycology

Facilipro Waterless Hand Rinse

fermentation alcohol

Frais Hand Sanitizer

Fresh Decor Citrus Pomegranate

Fresh Lavender Waterless Anti-antibateria Hand Sanitizer

Frosted Sugar Cookie

Gbg

Gbg Aloegel

Georgia-pacific Alcohol Hand Sanitizer

Gerigentle Hand Wipes

Germ Bullet

Gnp Iodides Tincture

Green Tea Antibacterial Hand Sanitizer

Hand Essentials Instant Hand Antiseptic

Hand Sanitizer Cranberry Tart

Hand Sanitizer Juicy Blueberry

Hand Sanitizer Pink Strawberry Lollipop

Hand Sanitizing Teachers Rule Mandarin

Hand Sanitizing Wipes

Handex Instant Hand Sanitizer

Hansan Foam

Hansan Spray

Healthcare Instant Hand Sanitizer Vanilla Scent

Hillyard Foaming Instant Hand Sanitizer

Icee Strawberry Scented Hand Sanitizer

Icing Winterberry Anti-bacterial Hand Sanitizer

Instant Foam

Instant Foaming Hand Sanitizer

Instant Hand Sanitizer and Moisterizer

Instant Hand Sanitizer Convenience Pack

Instant Hand Sanitizer Kuretek

Instant Hand Sanitizer Strawberry Kiss

Jelly Bean Antibacterial Hand

Keystone Liquid Hand Sanitizer

Kleenex Instant Hand Sanitizer

Landrum Instant Hand Sanitizer

Lemon Hand Sanitizer

Little Ones Lavender

Little Ones Original

Lucky Hand Sanitizer Lavender

Lux

Mellow Instant Hand Sanitizer Original

Mousse Vite

Mueller Instant Hand Sanitizer

Ocean Breeze

Ocean Hand Sanitizer

Orange Scented Hand Sanitizer

Peppermint Hand Sanitizer None

Pure Spring

Pure Spring Strawberry and Pomegranate

Purell Advanced Hand Sanitizer Revitalizing Rain

Purell Advanced Hand Sanitizer Spongebob Splash

Purell Advanced Hand Sanitizer Watermelon Splash

Purell Advanced Hand Sanitizer Wintergreen Mint

Purell Advanced Instant Hand Sanitizer

Purell Instant Ultra

Quik-care Antiseptic Handwash

Raining Rose Antiseptic Hand Sanitizer

Recens Foam

Recens Ultra

Refresh Foaming Instant Hand Sanitizer

Renewal Hand Sanitizing Wipes

Royal Hand Sanitizer

Safesha Sweet Orange

Sani Mousse

Sani Spritz

Sani-smooth

Sani-spritz

Saniguard-SF

Scaredy Cat Antibacterial Hand

Silken Hand Sanitizer

Smart San Healthcare Personnel Handwash

Smart Sense Original

Staples Instant Hand Sanitizer

Sterillium Rub Fragrance Free

Superman Berry Scented Antiseptic Hand Cleansing

Sweet Grape Antibacterial Hand

Tc Enrichedfoam Alcohol Hand Sanitizer

Thario Instant Hand Sanitizer

Toasted Vanilla Kit Bodycology

Toasted Vanilla Sugar Hand Sanitizer Bodycology

Topcare Aloe

Topcare Citrus Escape

Topcare Coconut Cream

Toy Cleaner

Triseptin Water Aided

Water Mountain Hand Sanitizer

Waterless Anti Bacterial Hand Sanitizer

Waterless Anti-bacterial Hand Cleanser

Waterless Fragrance Free Hand Sanitizer

Wilde Orchid

Winning Hands Alcohol Foaming

WITCH HAZEL

Witchs Brew Antibacterial Hand

Xtracare Warm Vanilla

Zep Alcohol Sanitizer

Zesty Lemon

1-Hydroxyethane

a polyvinyl alcohol

Al Cafoam

Alcare Plus Foamed Antiseptic Handrub

Alco Hand Sanitizer

Alcohol, anhydrous

Alcohol, dehydrated

Anti-bacterial Hand

Anti-bacterial Hand Bourbon Street Buttercream

Anti-bacterial Hand Caribbean Escape

Anti-bacterial Hand Champagne Sparkle

Anti-bacterial Hand Cleanser

Anti-bacterial Hand Frosted Cranberry

Anti-bacterial Hand Island Margarita

Anti-bacterial Hand Marshmallow Pumpkin Latte

Anti-bacterial Hand Sparklling Sweet Nectarine

Anti-bacterial Hand Stasher

Anti-bacterial Hand Surfside Spritzer

Anti-bacterial Hand Tahitian Paradise

Anti-bacterial Hand Turquoise Waters

Anti-bacterial Hand Watermelon Picnic

Anti-bacterial Hand Winter Wonderland

Antibacterial Hand Icy Mint

Antibacterial Hand Mistletoe and Mint

Antiseptic Hand Gel

Appeal Alcohol Foaming Hand Sanitizer

Apple Blossom Scented Hand Sanitizer

Assured Instant Hand Sanitizer Spray

Avagard D

Avant Foaming Hand Sanitizer

Avant Original Instant Hand Sanitizer

Batman Berry Scented Antiseptic Hand Cleansing

Bea-silky

Blanctis Essence Tooth Whitening Gel

Blockout Foot Wipes

Blue Rasberry Hand Sanitizer

Body Luxuries English Pear Antibacterial Hand Sanitizer

Bodycology Brown Sugar Vanilla Hand Sanitizer

Bubble Gum

Careone Antibacterial Hand Sanitizer Festival Of Lights

Careone Instant Hand Sanitizer Lemon

Cherry Blossom Scented Hand Sanitizer

Clario Foaming Alcohol Instant Hand Sanitizer

Clean All

Clinical Works Cucumber Melon Waterless Hand Sanitizer

Clinical Works Pink Grapefruit Waterless Hand Sanitizer

Coconut Water Scented Hand Sanitizer

Cotton Candy Hand Sanitizer

Ctca Foaming Hand Sanitizer

Cucumber Melon Scented Hand Sanitizer

Derma Stat

Elgin Instant Hand Sanitizer

Enchanted Moments Vanilla Snow Hand Sanitizer

Eo Hand Sanitizer Peppermint

Eo Hand Sanitizer Unscented

Ethanol Absolute Bp

Ethanol Extra Pure

Ethanol, analytical standard

Ethanol, denatured

Ethyl alc

Ethyl alcohol in alcoholic beverages

Everyone Hand Sanitizer Coconut Lemon

Exotic Cherry Blossom Hand Sanitizer

Exotic Cherry Blossom Kit Bodycology

Ezfoam Foaming Alcohol Hand Sanitizer

Fikes Instant Hand Sanitizer

Foam Hand Sanitizer

Forever Hand Sanitizer Hand Sanitizer

Free Hand

Friuts and Flowers Grapefruit Waterless Hand Sanitizer

Frosted Berry Hand Sanitizer

Frosted Cranberry Anti-bacterial Scented Hand Sanitizer

Germ Safe

Goldlove Hand Sanitizer None

Hand and Nature Sanitizer Grapefruit

Hand and Nature Sanitizer Peppermint

Hand Sanitizer Bottle With Carabiner

Hand Sanitizer Sugared Berry

Hand Sanitizer Vanilla Scent

Hand Sanitizing Green Apple

Handi Sani

Handi-sani

Healing Waters Peach Nectarine Hand Sanitizer

Healthy Hands Aloe Instant Hand Antibacterial

Healthy Hands Instant Antiseptic Hand Cleanser

Healthy Hands Instant Antiseptic Hand Cleanser With Moisturizers

Heisclean for Woman

Hes Clean

Husky Instant Hand Sanitizer

Hygiene Master Instant Hand Sanitizer

Instant Foam Hand Sanitizer

Instant Hand Sanitizer Blue Raspberry

Instant Hand Sanitizer Chinese Cherry Blossom

Instant Hand Sanitizer Foam

Instant Hand Sanitizer With Moisturizers Ocean Scented

Jasmine and Green Tea Antibacterial Sanitizer

Justice Mixed Berry Scent Antibacterial Hand Sanitizer

Justice Rhinestone Raspberry Scent Anti-bacterial Hand Sanitizer

Justice Strawberry Scent Anti-bacterial Hand Sanitizer

Kay Alphasan Hand Sanitizer

Kleen Instant Hand Sanitizer With Moisturizers

Kleenex Antiseptic Hand Rub With Moisturizers

Lavender Vanilla Anti-bacterial Hand Sanitizer

Lavender Waterless Hand Wash

Lemon Scented Hand Sanitizer

Lemon Verbena Hand Sanitizer

Letters Lemon Verbena Hand Sanitizer

Lisa Frank Bubblegum Antiseptic Hand Cleansing

Love Hand Sanitizer

Lucky Sanitizing Hand Towels

Mandarin Orange Anti-bacterial Hand Sanitizer

Mango Madness Hand Sanitizer

Mayfair Anti-bacterial Hand Sanitizer

Mcd Hand Sanitizer

Mojito Sun

Naturally Nova Scotia Hand Sanitizer

O Blanctis

One Step Sanitizer

Orchid Antibacterial Vanilla and Apple Blossom

Orchid Sugar Cookie

Passion Fruit Hand Sanitizer

Passion Fruit Kiss

Pc Hansan

PF Hand Sanitizing

Pink Lemonade Hand Sanitizer

Pink Macaroon Hand Sanitizer

Premium Hand Sanitizer Nectarine Mint

Prime-cide

Pro Advantage Instant Hand Sanitizer

Proformance Series Foam Alcohol Hand Sanitizer

Pure Foam

Pure Hands

Purell Advanced Green Certified Instant Hand Sanitizer

Purell Advanced Hand Sanitizer Inspiring Island Getaway

Purell Advanced Hand Sanitizer Moonlit Moments

Purell Advanced Hand Sanitizer Tranquil Sunset

Purell Advanced Hand Sanitizer Warm Fireplace Gathering

Purell Advanced Hand Sanitizer Winter Jubilee

Purell Advanced Hand Sanitizer Winter Wonderland Spice

Purell Advanced Skin Nourishing Instant Hand Sanitizer

Purell Cottony Soft

Purell Sanitizing Hand Wipes

Qsr Hand Sanitizer

Quik Spray

Quik-care

Recens Hand Sanitizer Wipes

Ritz Spritz Mulled Cranberry

Rue Beaute Grapefruit Hand Sanitizer

Rue Beaute Strawberry Hand Sanitizer

Safeway Care Hand Sanitizer

Safeway Instant Hand Sanitizing Wipes

Sani Soft

Sani Wipes

Sani-care

Sani-silk

Sani-soft

Sanisuds Foam Instant Hand Sanitizer

Servo-stat

Spa Originals Instant Hand Sanitizer

Spring Grove Unscented Hand Sanitizer

Stat-foam

Stat-rinse

Sugar Plum

Surgicept Waterless, Surgical Handscrub and Healthcare Personnel Handwash

Sweet Love Hand Sanitizer Bodycology

Sweet Pea

Toasted Vanilla Sugar Kit Bodycology

Vanilla Sugar Hand Sanitizer

Visibly Clean Hand Sanitizer

Warm Vanilla Hand Sanitizer

Waterless Aloe Scented Hand Sanitizer

Waterless Hand Sanitizer Citrus Scent

White Spruce Hand Sanitizer

Wild Strawberry Anti-bacterial Hand Sanitizer

Winning Hands Hand Sanitizer

Xoxo Kit Bodycology

Alcare Or Foamed Antiseptic Handrub

Alcohol, Absolute

ALCOHOL, ANHYDROUS REAGENT

Alcohol, diluted

Amp Instant Hand Sanitizer

Angel Falls Hand Sanitizer

Anti-aging Hand Sanitizer

Anti-bacterial Hand Coconut Cooler

Anti-bacterial Hand Dancing Waters

Anti-bacterial Hand Electric Mango

Anti-bacterial Hand Honeydew Cooler

Anti-bacterial Hand Japanese Cherry Blossom

Anti-bacterial Hand Lemon

Anti-bacterial Hand Pineapple Punch

Anti-bacterial Hand Pumpkin Cupcake

Anti-bacterial Hand Sanitizer Japanese Cherry Blossom

Anti-bacterial Hand Sanitizer Summer Escape

Anti-bacterial Hand Selfie

Anti-bacterial Hand Squad

Anti-bacterial Hand Vanilla Cupcake

Anti-bacterial Hand Winter

Aogel Hand Sanitizer Kids

Apple Blossom Anti-bacterial Hand Sanitizer

Aqua Sunset Hand Sanitizer

Assured Aloe Scented Instant Hand Sanitizer

Avant EX

Blue Paradise Anti-bacterial Hand Sanitizer

Body Luxuries Sweet Lavender Hand Sanitizer

Bodycology Hand Sanitizer Gift Set

Care One Instant Sanitizer

Clean Force Hand Sanitizer

Clear Defense Citrus Sage

Clear Defense Hand Sanitizing Wipes

Clinical Works Ocean Breeze Waterless Hand Sanitizer

Clorox Care Concepts Hand Sanitizer

Cool Clementine Anti-bacterial Scented Hand Sanitizer

Cvs Pharmacy Aloe

Dawnmist Alcohol Gel Hand Sanitizer

Deb Med Instantfoam Hand Sanitizer

Deb Med Instantfoam Optidose Hand Sanitizer

Disney Frozen Berry Scented Antiseptic Hand Cleansing

Enchanted Moments Candy Apple Hand Sanitizer

Enmotion High Frequency Foam Hand Sanitizer

Eo Hand Sanitizer Lavender

Esca Hand Sanitizing Wipes

ethanol-

Ethanol, denatured, Spectrophotometric Grade

Ethyl alcohol usp

Ethyl alcohol, undenatured

Faith Family Ducks Antiseptic Hand Cleansing

Foam Aid

Foamfresh Alco-foam Hand Sanitizer

Fresh Decor Coconut Cream

Fresh Decor Lemon Verbena

Fresh Splash Scented Hand Sanitizer

Frosted Sugar Plum Hand Sanitizer Bodycology

Gbg Aloegel Instant Hand Sanitizer

Ginger Lime Hand Sanitizer

Gingerhead Girl Anti-bacterial Scented Hand Sanitizer

Glitter Ritz Golden Vanilla Embers

Global Clean Instant Hand Sanitizer

Green Apple Hand Sanitizer

Hand and Nature Sanitizer Calendula

Hand and Nature Sanitizer Camellia

Hand and Nature Sanitizer Lavender

Hand and Nature Sanitizer Raspberry

Hand and Nature Sanitizer Rosemary

Hand San

Hand Sanitizer Cds Office Products

Hand Sanitizer Pomegranate Apple With Moisture Beads

Hand Sanitizer W/carabiner

Hand Sanitizing Special Teacher Green Apple

Hand-aid

Healing Waters Aloe Cucumber Hand Sanitizer

Healing Waters Cherry Blossom Scented Waterless Hand Sanitizer

Healing Waters Cotton Blossom Hand Sanitizer

Healing Waters Cucumber Melon Scented Waterless Hand Sanitizer

Healing Waters Lemon Verbena Hand Sanitizer

Health and Beyond Antiseptic Hand Sanitizer

Heisclean for Man

Hello Kitty Hand Sanitizer

Ici Alcohol Hand Sanitizer

Icing Peppermint Candy Anti-bacterial Hand Sanitizer

Ili Hand Sanitizer Instant

Instant Hand Sanitizer Candy Apple

Instant Hand Sanitizer Citrus Scent

Instant Hand Sanitizer Citrus Zest

Instant Hand Sanitizer Gel

Instant Hand Sanitizer Tennder Care

Instant Hand Sanitizer Vanilla Noel

Instant Hand Sanitizer With Moisturizers Aloe Scented

Iso-quin

Jaysol S

Jelly Bean Hand Sanitizer

Justice Blueberry Scent Anti-bacterial Hand Sanitizer

Justice Pineapple Scent Anti-bacterial Hand Sanitizer

Justice Rabbit Strawberry Scent Anti-bacterial Hand Sanitizer

Kindest Kare Foam Antiseptic Handrub With Enhanced Emollients

Kroger Waterless Hand Sanitizer Citrus Scent

Le Techniq Antibacterial Hand Island Citrus

Le Techniq Hand Sanitizer Apple Pomegranate

Lemon Lime Hand Sanitizer

London Hand Sanitizer Vanilla Scent

Lucasol Hand Instant Hand Sanitizer

Mada Hand Sanitizing Wipes

Marvel The Avengers Hand Sanitizer

Med Plus

Medi-pak Performance Instant Hand Sanitizer

Miss Spa

My Little Pony Antibacterial Hand Sanitizer With Moisturizers

Ocean Breeze Scented Hand Sanitizer

Ocean Waterless Hand Wash

Paris Hand Sanitizer Vanilla Scent

Peppermint Ice Anti-bacterial Scented Hand Sanitizer

Perfect Purity Advanced Hand Refreshing Aloe

Piranha Brand Foaming Alcohol Hand Sanitizer

Pure Gel

Purell Advanced Hand Sanitizer Aspen Retreat

Purell Advanced Hand Sanitizer Fresh Peppermint Cheer

Purell Advanced Hand Sanitizer Holiday Spice

Purell Advanced Hand Sanitizer Naturals Gel

Purell Advanced Hand Sanitizer Ultra Nourishing Foam

Purell Advanced Instant Hand Sanitizer Fragrance Free

Raymond Waites Honeysuckle Rose Waterless Anti-bacterial Hand Sanitizer

Recens A

Rite Aid Renewal With Moisturizers

Ru-Tuss Hydrocodone Liquid

Rue21 Doughnut Sprinkles Antibacterial Hand Sanitizer

Rue21 Strawberry Antibacterial Hand Sanitizer

Safeway Care Aloe

Sani Professional Brand Sani-hands

Sani-gel

Sierra Soft Alcohol Hand Sanitizer

Simply Clean Instant Hand Sanitizer

Sj Antibacterial Hand Gel

Smart Sense Aloe

Snappy Apple Scented Hand Sanitizer

Sunshiny Day Scented Hand Sanitizer

Super Suds Anti-bacterial

Sweet Berry Hand Sanitizer

T-chem Antimicrobial Hand

Tampa General Hospital Instant Hand Degermer

Tc Instant Hand Sanitizer

Tecsol C

Tokyo Hand Sanitizer Vanilla Scent

Topcare Vitamin E

Triseptin Hand and Body Antiseptic

Under Paris Hand Sanitizer

Vanilla Cupcake Anti-bacterial Scented Hand Sanitizer

Vanilla Fig Hand Sanitizer

Wegmans Hand Sanitizer Lychee Berry

Wegmans Hand Sanitizer Thai Bamboo

Winter Vanilla Hand Sanitizer None

Wyandotte Sanifect E3

Xtracare Instant Hand Sanitizer Cocoa Butter

Xtracare Sweet Pea Blossom

Zep Instant Hand Sanitizer

Alcohol, ethyl

Alcohol, Grain

Anti-bacterial Hand Beautiful Day

Anti-bacterial Hand Best Friends

Anti-bacterial Hand Boo Ghostly Raspberry

Anti-bacterial Hand Charming Chick Sweet Strawberry

Anti-bacterial Hand Cucumber Mint

Anti-bacterial Hand Elfin Around

Anti-bacterial Hand Firework Fizz

Anti-bacterial Hand Fresh Balsam

Anti-bacterial Hand Gel

Anti-bacterial Hand Georgia Peach

Anti-bacterial Hand Hawaiian Pink Hibiscus

Anti-bacterial Hand Iced White Pomegranate

Anti-bacterial Hand London Cherry Almond Shortbread

Anti-bacterial Hand Magnolias and Mimosas

Anti-bacterial Hand Merry Berry Christmas

Anti-bacterial Hand Merry Cookie

Anti-bacterial Hand Orchard Bloom

Anti-bacterial Hand Orchard Frost

Anti-bacterial Hand Pink Chiffon

Anti-bacterial Hand Pink Prancer

Anti-bacterial Hand Pumpkin Pecan Waffles

Anti-bacterial Hand Shimmer and Champagne

Anti-bacterial Hand South Pacific Sunrise

Anti-bacterial Hand Southern Lemon Chiffon

Anti-bacterial Hand Suncrisp Apple Harvest

Anti-bacterial Hand Sweet Cinnamon Pumpkin

Anti-bacterial Hand White Peach Chardonnay

Berry Sorbet Anti-bacterial Hand Sanitizer

Blanctis Forte II Tooth Whitening

Body Luxuries Cherry Blossom Waterless Anti-bacterial Hand Sanitizer

Body Luxuries Coconut Vanilla Waterless Anti-bacterial Hand Sanitizer

Body Luxuries French Lavender Waterless Anti-bacterial Hand Sanitizer

Body Luxuries Fresh Cotton Hand Sanitizer

Body Luxuries Pineapple Mango Waterless Anti-bacterial Hand Sanitizer

C2H5OH

Coconut Lime Anti-bacterial Hand Sanitizer

Cotton Candy Anti-bacterial Scented Hand Sanitizer

Credit Card Shape Hand Sanitizer

Cvs Pharmacy Hand Sanitizer Aloe

Cvs Pharmacy Instant Hand Sanitizing Wipes

Decon Hand Instant Hand Sanitizer

Dermacen Instant Hand Sanitizer With Aloe

Dignity Health Hand Sanitizer Alcare Plus

Disney Fairies Sweet Berry Scented Antiseptic Hand Cleansing

Disney Minnie Cotton Candy Scented Antiseptic Hand Cleansing

Dr Tichenors First Aid Antispetic

Enbac Skin Antiseptic/sanitizer Contains Aloe Vera

Enchanted Moments Berries and Cream Hand Sanitizer

Eo Hand Sanitizer Lemon

Epi-clenz Instant Hand Antiseptic

Epi-clenz Instant Hand Antiseptic Scented

Essence Of Beauty Citrus Coconuti

Essence Of Beauty Japanese Garden

Essence Of Beauty Vanilla Wishes

Ethanol, technical grade

Ethyl alcohol and water

Ethyl alcohol, anhydrous

Ethyl Alcohol, Denatured

Foam San Hand Sanitizer

Fresh Up Antiseptic Hand

Frosted Berry Hand Sanitizer None

Glitter Ritz Iced Berry

Gum Drop Hand Sanitizer

Hand and Nature Sanitizer Acacia

Hand and Nature Sanitizer Almond

Hand and Nature Sanitizer Avocado

Hand and Nature Sanitizer Jasmine

Hand and Nature Sanitizer Orance

Hand and Nature Sanitizer Tomato

Hand Guard Foaming Instant Hand Sanitizer

Hand Sanitizer Circle K

Hand Sanitizer Sugar Coated Plum

Hand Sanitizer Sweet Sugar Cookie

Hand Sanitizer Winter Jelly Bean

Hand Sanitizer With Aloe

Harmon Face Values Pomegranate Scent Hand Sanitizer

Healing Waters Vanilla Orchid Anti-bacterial Hand Sanitizer

Healing Waters Violet Rose Hand Sanitizer

Health and Beyond Green

Hes Clean Adam

Hes Clean Plus

Icee Blue Raspberry Scented Hand Sanitizer

Instant Hand Sanitizer Aloe Vera

Instant Hand Sanitizer Bubble Gum

Instant Hand Sanitizer Fresh Aloe

Instant Hand Sanitizer Fresh Lemon Scented

Instant Hand Sanitizer Green Apple Scented

Instant Hand Sanitizer Lemon Drop

Instant Hand Sanitizer Sugar Plum

Instant Hand Sanitizer With Aloe

Jasmine Tea and Basil Antibacterial Hand Sanitizer

John Deere Instant Hand Sanitizer

Justice Tucan Strawberry Scent Anti-bacterial Hand Sanitizer

Justice Vanilla Scent Anti-bacterial Hand Sanitizer

Kleenex Moisturizing Hand Sanitizer, Hydrates Skin

Kroger Waterless Hand Sanitizer With Aloe

Le Techniq Aloe

Le Vital Blossom Delight

Le Vital Hidden Passion

Le Vital Japanese Cherry Blossom

Le Vital Vanilla Heaven

Lemon Splash Anti-bacterial Scented Hand Sanitizer

Lemon Verbena Waterless Hand Wash

Letters Ocean Blue Hand Sanitizer

Little Ones Baby Fresh Sanitizer

Love and Beauty Grapefruit Citrus Essence Antibacterial Scented Hand Sanitizer

Lucky Hand Sanitizer Citrus Zest

Mango Papaya Anti-bacterial Scented Hand Sanitizer

One Step Hand Sanitizer

One Step Wipes

Peach Mango Anti-bacterial Hand Sanitizer

Personal Care Hand Sanitizer Aloe

poly(vinyl alcohol) macromolecule

Premium Hand Sanitizer Cucumber Green Tea

Premium Hand Sanitizer With Aloe

Pretty In Paris Hand Sanitizer Bodycology

Prevail White Tea Hand Sanitizer

Purell Advanced Hand Sanitizer Coconut Beach Siesta

Purell Advanced Hand Sanitizer Fresh Peach Blossoms

Purell Advanced Hand Sanitizer Ocean Kiss

Purell Advanced Hand Sanitizer Sprinkled With Love

Purell Advanced Hand Sanitizer Sweet Plum

Purell Advanced Hand Sanitizer Warm Holiday Treats

Quik-care Waterless Antimicrobial Foaming Hand Rub

Rue Beaute Cherry Hand Sanitizer

Rue Beaute Vanilla Cupcake Hand Sanitizer

Rue21 Peppermint Twist Antibacterial Hand Sanitizer

Sani Claw Wipes

Sani-kleen Instant Hand Sanitizer

Santi-gel Instant Hand Sanitizer

Sephora By Opi Moisturizing Hand Sanitizer

Servo Stat-foam

Servo-stat Balm

Smart San Hand Sanitizer

Soft Care Hand Sanitizer

Soft Care Instant Hand Sanitizer

Spirits of wine

Sterile Alcohol Prep Pad

Stoko Gel Instant Hand Sanitizer

Strawberry Shortcake Berry Best Friends Mixed Berry Antiseptic Hand Cleansing

Sunny Day Scented Hand Sanitizer

Sweet Pea Blossom Hand Sanitizer

Sweet Pea Waterless Anti-antibateria Hand Sanitizer

Tork Hand Sanitizer Alcohol Foam

Tork Premium Hand Sanitizer Foam

Tough Guy Instant Hand Sanitizer

Trick Or Treat Antibacterial Hand

Ulta Freshwater Mist Anti-bacterial Hand Sanitizer

Ulta Pomegranate Lime Anti-bacterial Hand Sanitizer

Ulta Sparkling Lemon Anti-bacterial Hand Sanitizer

VANILLA Powder

Vanilla Brown Sugar Scented Hand Sanitizer

Vanilla Cream and Apple Blossom Antibacterial Hand Sanitizer

Vanilla Sugar Anti-bacterial Scented Hand Sanitizer

Viamed Alcohol Prep Pad

Vida Mia Hand Sanitizer

Xtracare Instant Hand Sanitizer Aloe Vera

Zytec Germ Buster Hand Sanitizer

3 Hand Sanitizers

Aethylalkohol [German]

Alco-san Instant Skin Sanitizer

American Continental Techlabs, Llc Instant Hand Sanitizer

Anti-bacterial Hand Black Cherry Merlot

Anti-bacterial Hand Cocoa Mint

Anti-bacterial Hand Coconut Lime Verbena

Anti-bacterial Hand Cool Coconut Colada

Anti-bacterial Hand Fall Lakeside Breeze

Anti-bacterial Hand Fresh Sparkling Snow

Anti-bacterial Hand Gel Caribbean Escape

Anti-bacterial Hand Gel Fresh Picked Strawberries

Anti-bacterial Hand Gel Vanilla Cupcake

Anti-bacterial Hand Give Thanks

Anti-bacterial Hand Harvest Mouse Citrus

Anti-bacterial Hand Hawaii Honolulu Sun

Anti-bacterial Hand Jawesome Sea Breeze

Anti-bacterial Hand Paris Amour

Anti-bacterial Hand Ripe Raspberry Vine

Anti-bacterial Hand Sanitizer Sweet Pea

Anti-bacterial Hand Santa Paws

Anti-bacterial Hand Santa Tizer

Anti-bacterial Hand Savannah Mint Julep

Anti-bacterial Hand Sweet Cinnamon Pumpkin Purrfect Potion

Anti-bacterial Hand Vanilla Berry Sorbet

Antibacterial Hand Sanitizer Basil and Green Tea

Assured Instant Hand Sanitizer With Moisturizers Aloe Vera and Moisturizers

Avant Eco-premium Instant Hand Sanitizer

B4 Hand Sanitizer

Blue Cross Laboratories Hand Rx

Body Blends Apple Attraction Anti-bacterial Hand Sanitizer

Body Blends Citrus Awakening Anti-bacterial Hand Sanitizer

Body Luxuries Strawberry Scented Waterless Anti Bacterial Hand Gel

C2H6O

Cardinal Health Hand Sanitizer With Aloe

Care Bears Cotton Candy Antiseptic Hand Cleansing

CHEMBL545

Chempace Sani-gel Instant Skin Sanitizer

Crisp Apple Hand Sani

Disney Pixar Cars Berry Scented Antiseptic Hand Cleansing

Dots Apple Cinnamon Anti-bacterial Hand Sanitizer

Eo Hand Sanitizer Sweet Orange

Ethanol, silent spirit

Foaming Instant Hand Sanitizer With Aloe

Frosted Berries and Cream Sanitizer Pen

Game Day Msc Mainstreet Collection Hand Sanitizer

Ginger Lime Waterless Hand Wash

Hand and Nature Sanitizer Aloe

Hand and Nature Sanitizer Apple

Hand and Nature Sanitizer Cherry Blossom

Hand and Nature Sanitizer Grape

Hand and Nature Sanitizer Honey

Hand and Nature Sanitizer Kiwi

Hand and Nature Sanitizer Lemon

Hand and Nature Sanitizer Peach

Hand and Nature Sanitizer Peony

Hand and Nature Sanitizer Rose

Hand San Instant Hand Sanitizer

Hand Sanitizer Citrus Coconut With Moisture Beads

Hand Sanitizer Hand Rx

Hand Sanitizer Passion Flower With Moisture Beads

Hand Sanitizing A Plus Teacher Unscented

Harmon Face Values Hand Sanitizer Spray

Healing Waters Cucumber Melon Scented Anti-bacterial Hand Sanitizer

Healing Waters Island Nectar Scented Anti-bacterial Hand Sanitizer

Health and Beyond Instant Hand Sanitizer

Hes Clean Eve

Icee White Cherry Scented Hand Sanitizer

Icing Iced Frosting Anti-bacterial Hand Sanitizer

Ics3 Blue Healthcare Hand Antiseptic

Instant Hand Sanitizer With Shea Butter

Justice Anti Bac Hand Sanitizer

Justice Cactus Vanilla Scent Anti-bacterial Hand Sanitizer

Justice Create Inspire Explore Blueberry Scent Anti-bacterial Hand Sanitizer

Justice Elephant Mango Scent Anti-bacterial Hand Sanitizer

Justice Strawberry Scent Anti Bac Hand Sanitizer

Justice Vanilla Anti Bac Hand Sanitizer

Kindest Kare Air-infused Foam Antiseptic Handrub

Kleenex Hand Sanitizer, Green Certified

LA Mer Hand Sanitizer

Le Techniq Hand Sanitizer Jasmine Basil

Le Vital Berry Kissed

Le Vital Midnight Rush

Love and Beauty Coconut Vanilla Essence Antibacterial Scented Hand Sanitizer

Lucky Instant Hand Sanitizer Citrus Zest

Marvel Ultimate Spider-man Berry Scented Antiseptic Hand Cleansing

Modesa Anti-bacterial Hand Gel

Natural Extensions Fragrance- Free Instant Hand Sanitizer

Nu Skin Epoch

Pretty In Paris Kit Bodycology

Pumpkin Pie Anti-bacterial Scented Hand Sanitizer

Purell Advanced Hand Sanitizer Oven-baked Apples

Purell Advanced Hand Sanitizer Sweet Papaya Mango

Purell Advanced With Aloe Instant Hand Sanitizer

Raymond Waites Gerber Daisy Waterless Anti-bacterial Hand Sanitizer

Reagent Alcohol, reagent grade

Rite Aid Instant Hand Sanitizer

Rite Aid Instant Hand Sanitizer With Moisturizers

Rue21 Cherry Antibacterial Hand Sanitizer

Rue21 Cherry Blossom Antibacterial Hand Sanitizer

Sani-hands Instant Hand Sanitizing Wipes

Saniklean E3 Hand Sanitizer

Smart San Hand Sanitizer Spray

Smart Sense Vitamin E Sanitizer

Soft N Sure Antiseptic

Sukang Alcohol Prep Pads Medium

Susan Winget Mango Orange Hand Sanitizer

Sweet Candy Kiss Sanitizer Pen

Tork Hand Sanitizer Alcohol Gel

Ulta Lavender Woods Anti-bacterial Hand Sanitizer

Ulta Mandarin Mint Anti-bacterial Hand Sanitizer

Ulta Vanilla Sugar Anti-bacterial Hand Sanitizer

Wild Passion Flower Anti-bacterial Hand Sanitizer

Xtracare Hand Sanitizer Moisturize With Vitamin E

3m Avagard Foam

3m Avagard Foaming Instant Hand Antiseptic

3m Avagard Instant Hand Antiseptic With Moisturizers

3p Instant Hand Sanitizer

AC1L19TW

AC1Q31MM

Anti-bacterial Hand A Thousand Wishes

Anti-bacterial Hand Autumn Owl Cranberry Apple

Anti-bacterial Hand Be Joyful

Anti-bacterial Hand Bright Autumn Day

Anti-bacterial Hand Cozy Vanilla Cream

Anti-bacterial Hand Crisp Morning Air

Anti-bacterial Hand French Kiss Berry

Anti-bacterial Hand Fresh Lemon Daisy

Anti-bacterial Hand Fresh Market Apple

Anti-bacterial Hand Gel Mango Madness

Anti-bacterial Hand Gel Pink Lemonade

Anti-bacterial Hand Napa Valley Sunset

Anti-bacterial Hand Perfect Autumn Day

Anti-bacterial Hand Plum Cider Warmth

Anti-bacterial Hand Sanitizer Sugar Lemon Fizz

Anti-bacterial Hand Sweet Pea

Anti-bacterial Hand Tgif Coconut Sugar

Anti-bacterial Hand Vanilla Bean Noel

Anti-bacterial Hand Warm Vanilla Sugar

Anti-bacterial Hand Winter Candy Apple

Antibacterial Hand Polar Mint and Arctic Blast

Antiseptic Hand Gel With Aloe

April Bath and Shower Cucumber Melon Scented Antibacterial Hand Sanitizer

Assured Hand Sanitizer With Aloe Vera

Assured Hand Sanitizer With Vitamin E

Bacti-free Tm Hand Sanitizer

Body Blends Vanilla Sugar Anti-bacterial Hand Sanitizer

Body Luxuries Blueberry Scented Waterless Anti Bacterial Hand Gel

Candy Coated Apple Anti-bacterial Scented Hand Sanitizer

Clean Xpress Alcohol Gel Instant Skin Sanitizer

Cvs Pharmacy Anti-aging Hand Sanitizer

Cvs Pharmacy Instant Hand Sanitizer Fresh Scent

Dots Asian Spice Anti-bacterial Hand Sanitizer

Dr.phi Instant Hand Sanitizer

Epi-clenz Plus Instant Hand Antiseptic

Epi-clenz Plus Instant Hand Sanitizer

Epi-clenz Pure Instant Hand Antiseptic

Essence Of Beauty Snowy Apple

Essence Of Beauty Wind Kissed

Ethanol, anhydrous, denatured

Ethanol, anhydrous, denatured, Spectrophotometric Grade

Ethanol, for residue analysis

Ethylalcohol [Dutch]

Five Photo Brand First Aid Antiseptic

Friuts and Flowers Clean Cotton Waterless Hand Sanitizer

Han-I-foam

Han-I-size

Hand and Nature Sanitizer Apple Mango

Hand E San

Hand Gel Prolim Instant Hand Sanitizer

Hand Sanitizer Moisturizing With Vitamin E and Glycerin

Hand Sanitizer Sun Blossom With Moisture Beads

Hand Sanitizer With Aloe Vera

Hand Sanitizer With Moisturizers and Vitamin E

Healing Water Amber Flower Anti-bacterial Hand Sanitizer

Healing Waters Clean Cotton Scented Anti-bacterial Hand Sanitizer

Hes Clean for Woman

Instant Hand Sanitizer With Vitamin E

Justice Cotton Candy Scent Anti-bacterial Hand Sanitizer

Justice Dance Orange Scent Anti-bacterial Hand Sanitizer

Justice Hamburger Green Apple Scent Anti-bacterial Hand Sanitizer

Justice Tortoise Green Apple Scent Anti-bacterial Hand Sanitizer

Klar and Danver Instant Hand Santizer

LA Bodies Purita Anti-bacterial Hand Sanitizer

Le Vital Dreamy Glow

Microban 80

My Little Pony Grape Antiseptic Hand Cleansing

On Guard Hand Sanitizing Wipe

One Step Hand Sanitizer Aloe

Pdi Alcohol Swabstick Threes and Ones

Pink Grape Fruit Waterless Anti-bacterial Hand Sanitizer

Purell Advanced Hand Sanitizer O Christmas Tree

Purse Essentials Hand Sanitizer Anti-bacterial Hand Berry Sorbet

Purse Essentials Hand Sanitizer Anti-bacterial Hand Vanilla Sugar

Reagent Alcohol, ACS reagent

Rue21 Cotton Candy Antibacterial Hand Sanitizer

Rue21 Midnight Musk Antibacterial Hand Sanitizer

Rue21 Ocean Breeze Antibacterial Hand Sanitizer

Rue21 Posh Antibacterial Hand Sanitizer

Rue21 Sugar Cookie Antibacterial Hand Sanitizer

Rue21 Vanilla Spice Antibacterial Hand Sanitizer

San-E-foam

Sani Professional Brand Sani-hands Instant Hand Sanitizing Wipes

Sani-hands for Kids

SDA 3A

Smart San Hand Sanitizer Spray Fragrenace-free

Soft Care Foam Instant Hand Sanitizer

Soft Care Fragrance Free Instant Hand Sanitizer

Soft N Sure Foamed Antiseptic Handrub

Stoko Gel Free Instant Hand Sanitizer

Sundrops 73

Sweet Pea Anti-bacterial Scented Hand Sanitizer

SY Fresh M

Topcare Jasmine Tea and Basil

Virx Instant Hand Sanitizer With Security Clip

ACMC-1AT5A

Aethanol [German]

Alkoholu etylowego [Polish]

Anti-bacterial Hand Berry Scary Ghoul Friend

Anti-bacterial Hand Candy Cane Bliss

Anti-bacterial Hand Fiji White Sands

Anti-bacterial Hand Gel Candy Apple

Anti-bacterial Hand Gel Cotton Candy

Anti-bacterial Hand Hoot Eerie Pear

Anti-bacterial Hand Oh Snap

Anti-bacterial Hand Red Velvet Cheer

Anti-bacterial Hand Spray Sweet Pea

Anti-bacterial Hand Spray Warm Vanilla Sugar

Anti-bacterial Hand Sunlight and Apple Trees

Anti-bacterial Hand Sweet Peach Tea

Anti-bacterial Hand Twisted Web Creepy Orange

Anti-bacterial Hand Wicked Plum Vampire Blood

Body Luxuries French Lavender Scented Waterless Anti Bacterial Hand Gel

Careone Instant Hand Sanitizer With Moisturizers and Vitamin E

CID702

Clean N Fresh Instant Hand Sanitizer

Cvs Pharmacy With Vitamin E

Dehydrated Alcohol, pharmaceutical secondary standard; traceable to USP

Denatured alcohol CD-5

Denatured alcohol CD-5a

Denatured alcohol SD-1

Denatured alcohol SD-3a

Essence Of Beauty Lilies and Freesia

Essence Of Beauty Sugar Frosted Mint

Etanolo [Italian]

Ethanol, denatured, special

Ethanol, for UV Spectrocopy

Ethyl Alcohol 70 Percent Readyincase

Fresh Decor Basil Green Tea

Hand and Nature Sanitizer Green Tea

Hand and Nature Sanitizer White Musk

Hand-E XL

Harmon Face Values Cherry Blossom Scent Hand Sanitizer

Harmon Face Values Cucumber Melon Scent Hand Sanitizer

Healing Waters Sweet Pea Lily Hand Sanitizer

Healing Waters Sweet Pea Scented Anti-bacterial Hand Sanitizer

Healing Waters White Tea Pear Hand Sanitizer

Health Care Instant Hand Sanitizer Ice Clear

Hello Kitty By Sanrio Hand Sanitizer

Instant Hand Sanitizer Original With Moisturizer and Vitamin E

Instant Hand Sanitizer Unscented With Moisturizer and Vitamin E

Instant Hand Sanitizer With Moisturizers and Vitamin E

Instant Hand Sanitizer With Shea Butter Beads

Justice Bubble Gum Scent Anti-bacterial Hand Sanitizer

Justice Latte Cotton Candy Scent Anti-bacterial Hand Sanitizer

Justice Letter A Blueberry Scent Anti-bacterial Hand Sanitizer

Justice Letter B Blueberry Scent Anti-bacterial Hand Sanitizer

Justice Letter C Blueberry Scent Anti-bacterial Hand Sanitizer

Justice Letter D Blueberry Scent Anti-bacterial Hand Sanitizer

Justice Letter E Blueberry Scent Anti-bacterial Hand Sanitizer

Justice Letter G Blueberry Scent Anti-bacterial Hand Sanitizer

Justice Letter H Blueberry Scent Anti-bacterial Hand Sanitizer

Justice Letter I Blueberry Scent Anti-bacterial Hand Sanitizer

Justice Letter J Blueberry Scent Anti-bacterial Hand Sanitizer

Justice Letter K Blueberry Scent Anti-bacterial Hand Sanitizer

Justice Letter L Blueberry Scent Anti-bacterial Hand Sanitizer

Justice Letter M Blueberry Scent Anti-bacterial Hand Sanitizer

Justice Letter N Blueberry Scent Anti-bacterial Hand Sanitizer

Justice Letter P Blueberry Scent Anti-bacterial Hand Sanitizer

Justice Letter R Blueberry Scent Anti-bacterial Hand Sanitizer

Justice Letter S Blueberry Scent Anti-bacterial Hand Sanitizer

Justice Letter T Blueberry Scent Anti-bacterial Hand Sanitizer

Justice Vanilla Scent Anti Bac Hand Sanitizer

Le Vital Sweet Pea

Love and Beauty Floral Rose Essence Antibacterial Scented Hand Sanitizer

Love and Beauty Lemon Fresh Essence Antibacterial Scented Hand Sanitizer

Love and Beauty Sweet Berry Essence Antibacterial Scented Hand Sanitizer

Lucky Hand Sanitizer With Aloe Vera

Lucky Hand Sanitizer With Vitamin E

Medi-pak Performance Instant Hand Sanitizer With Aloe

Pdi Sani-hands Instant Hand Sanitizing Wipes

Pure Spring Lemon and Mint

Purell Advanced Hand Sanitizer Grandma S Apple Delight

Purse Essentials Hand Sanitizer Anti-bacterial Hand Wild Passion Flower

Reagent Alcohol, used for histology tissue preparation

Rue21 Apple Spice Antibacterial Hand Sanitizer

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

Sani-professional Sani-hands Made With Tencel

SD 3A

Select Antiseptic Hand Gel With Aloe

Strawberry Antibacterial Hand Sanitizer With Aloe and Vitamin E

Susan Winget Berries and Cream Hand Sanitizer

Take Care Clinic Instant Hand Sanitizer Spray

[OEtH]

2-pack Hand Sanitizer

3 Hand Sanitizers Kit

3 Pack Instant Hand Sanitizer With Moisturizers

3m Avagard D

Alcool ethylique [French]

Alcool etilico [Italian]

Alkohol [German]

Anti-bacterial Hand Gel Apple Pie

Anti-bacterial Hand Gel Sweet Pea

Anti-bacterial Hand Help Me Cranberry Sauce

Anti-bacterial Hand I Love Glitter

Anti-bacterial Hand Italy Tuscan Lemon Tart

Anti-bacterial Hand Ocean for Men

Anti-bacterial Hand Paris Pink Champagne and Tulips

Anti-bacterial Hand Pretty In Pink

Anti-bacterial Hand Tis The Season

Ben E.keith Hand Cleaner

Body Blends Coconut Lime Escape Anti-bacterial Hand Sanitizer

Body Luxuries Dahlia Blossom Scented Waterless Anti Bacterial Hand Gel

Cologne spirits (alcohol)

Cvs Pharmacy Foam Hand Sanitizer With Aloe

Eclair Naturals (vanilla Peppermint) Hand Sanitizer

Ethanol, standard for GC

Ethyl Alcohol 40%

Ethyl Alcohol 70%

Ethyl Alcohol 75%

Ethyl Alcohol 80%

Ethyl Alcohol 90%

Etylowy alkohol [Polish]

Fair and Square Antibacterial Hand Sanitizer With Vitamine E

Good To Go Hand Sanitizer

GTPL2299

Hand Sanitizer Lemon Scent Hand Rx

Hand Sanitizer With Moisturizers Vitamin E and Aloe

Harris Teeter Hand Sanitizer With Vitamin E

Heb Jasmine Tea and Basil

HSDB 82

Instant Hand Sanitizer - Original

Instant Hand Sanitizer - Strawberry Scented

Instant Hand Sanitizer Extra Enriched With Vitamin E Strawberry Scent

Instant Hand Sanitizer With Moisturizers All In One

Justice Bff Cotton Candy Scent Anti-bacterial Hand Sanitizer

Justice Fruit Scent Anti Bac Hand Sanitizer

Justice Grape Scent Anti Bac Hand Sanitizer

Justice Mermaid Mix Berry Scent Anti-bacterial Hand Sanitizer

Justice Mixed Berry Anti Bac Hand Sanitizer

Justice Pop Corn Vanilla Scent Anti-bacterial Hand Sanitizer

KSC353A0H

Lavender Antibacterial Hand Sanitizer With Aloe and Vitamin E

Lucky Instant Hand Cleanser With Aloe Vera

Lucky Instant Hand Cleanser With Vitamin E

Lucky Instant Hand Sanitizer With Aloe Vera

Lucky Instant Hand Sanitizer With Vitamin E

Lucky Instant Hand Sanitizer With Vitamin E and Moisturizers

Pdi Sani-handsinstant Hand Sani Instant Hand Sanitizing Wipes

Purell Advanced E3 Rated Instant Hand Sanitizer

Reagent Alcohol, for HPLC

Rite Aid Renewal Moisturizers and Vitamin E

Sani-hands II Instant Hand Sanitizing Wipes

Smart San Es Hand Sanitizer Spray

Whiskcare 373

Whiskcare 375

3 Pack Instant Hand Sanitizer With Moisturizers Lavender Scented

6869AF

Alcohol (ethyl alcohol)

Alcohol (USP)

Alcohol [USP]

Alpha E-3

Aniosgel 85 Npc

Anti-bacterial Hand I Donut Care

Anti-bacterial Hand Need A Hand Starbright Citrus

Anti-bacterial Hand Snow Day Ice Blizzard

Apple Antibacterial Hand Sanitizer With Aloe and Vitamin E

April Bath and Shower Sweet Pea Scented Antibacterial Hand Sanitizer

April Bath and Shower Warm Vanilla Sugar Scented Antibacterial Hand Sanitizer

Assured Instant Hand Sanitizer With Moisturizers Vitamin E and Aloe

Avant Original - Fragrance Free

Body Luxuries English Pear Scented Waterless Anti Bacterial Hand Gel

Body Luxuries Lotus Flower Scented Waterless Anti Bacterial Hand Gel

Body Raves Antibacterial Hand Sanitizer - Lavender Vanilla

CDA 19

Cvs Pharmacy Instant Hand Sanitizer With Moisturizers and Vitamin E

Dehydrated ethanol (TN)

Denatured alcohol CD-10

Denatured alcohol SD-13a

Denatured alcohol SD-17

Denatured alcohol SD-23a

Denatured alcohol SD-28

Denatured alcohol SD-30

Denatured alcohol SD-39b

Denatured alcohol SD-39c

Denatured alcohol SD-40m

Enmotion Foam Hand Sanitizer W-moisturizers, Fragrance Free

Ethanol [JAN]

Ethyl alcohol (Ethanol)

Ethyl Alcohol 70 Percent

Fair and Square Antibacterial Hand Sanitizer With Aloe Vera

Family Dollar Instant Hand Sanitizer With Moisturizers and Vitamin E

Harmon Face Values Warm Vanilla Sugar Scent Hand Sanitizer

IMS 99

Instant Hand Sanitizer - Vanilla Scented

Justice Cotton Candy Scent Anti Bac Hand Sanitizer

Justice Mixed Berry Scent Anti Bac Hand Sanitizer

Justice Puppy Love Cotton Candy Scent Anti-bacterial Hand Sanitizer

Kroger Waterless Hand Sanitizer Citrus Scent With Moisturizers and Vitamin E

Le Vital Moon To Light

Rue21 Ocean Anti-bacterial Hand Sanitizer

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

Stoko Refresh 4in1 Instant Hand Sanitizer

Virx Instant Hand Sanitizer With Moisturizers and Vitamin E

Whiskcare 375 Fragrance Free

100C.NPA

3 Pack Family Dollar Instant Hand Sanitizers

Alcohols, C30

Aloe Scent A B Hand Sanitizing

Alpet E3 Plus Hand Sanitizer Spray

Anti-bacterial Hand Jingle All The Way

Anti-bacterial Hand New York Big Apple Sparkler

Bd E-Z Care

Body Raves Antibacterial Hand Sanitizer - Wild Strawberry

CCRIS 945

Chemco Anisha K. Instant Skin Sanitizer

CTK2F3003

Duplicating Fluid 100C.NPA

E1510

E7023_ALDRICH

E7148_ALDRICH

Eclair Naturals (french Lavender) Hand Sanitizer

Esumiru WK 88

Ethanol 200 proof

Facility Maintenance Instant Hand Sanitizer Hs-67

HMDB00108

I Love Ny Hand Sanitizer Vanilla Scent

Instant Hand Sanitizer - Clear

Instant Hand Sanitizer Extra Enriched With Vitamin E Bead Strawberry Scent

Instant Hand Sanitizer Extra Enriched With Vitamin E Vanilla Scent

Isagel B-I-B

Justice Blue Berry Scent Anti Bac Hand Sanitizer

Ke-53ps Hand Sanitizer

Love and Beauty Peach Mango Anti-bacterial Hand Sanitizer

Northside Hospital Amenity Kit--gi Dept

Ocean Breeze Antibacterial Hand Sanitizer With Aloe and Vitamin E

Out Of The Blue Scented Hand Sanitizer

Pier 1 Imports Blueberry Parfait Anti-bacterial Hand Sanitizer

Pier 1 Imports Lavender Anti-bacterial Hand Sanitizer

Purell Advanced E3 Rated Instant Hand Sanitizer Foam

Rue21 Island Fruits Anti-bacterial Hand Sanitizer

SD Alchol 23-hydrogen

SD alcohol 23-hydrogen

Symmetry Hand Sanitizer With Aloe and Vitamin E

Well At Walgreens Advanced Hand Sanitizer With Vitamin E

Whole Health Hand Sanitizers 3-pack

WLN: Q2

Xtracare Hand Sanitizer Moisurize With Vitamin E and Aloe

3 Pack Instant Hand Sanitizer With Moisturizers Aloe Scented

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

All Fresh By Alsco Instant Mist Hand Sanitizer

Alpha E-3 Instant Hand Sanitizer

Amoray Premium Instant Hand Sanitizer With Aloe and Vitamin E Strawberry

Anti-bacterial Hand Meet Me In Paris

Careone Instant Hand Sanitizer With Aloe and Vitamin E

Citrus Hand Sanitizer With Vitamin E and Aloe

DB00898

E2385_SIGMA

E7517_SIGMA

Endure 300 Hand Sanitizer

Endure 450 Surgical and Healthcare Personnel Hand Antiseptic With Moisturizers

Ethanol, Alcohol Reagent, anhydrous, denatured

Ethyl Alcohol Absolute, ACS/USP Grade

First Aid Plus More Alcohol Prep Pad

Instant Hand Sanitizer - Cocoa Butter

Instant Hand Sanitizer With Aloe and Vitamin E

Kroger Waterless Hand Sanitizer With Aloe With Moisturizers and Vitamin E

Le Vital Wake Me Up

Marvel Iron Man 3 Hand Sanitizer

NSC85228

Pdi Alcohol Prep Pad Large and Medium

Pdi Alcohol Prep Pad Sterile Large and Medium

Pdi Sani-hands Alc Antimicrobial Alcohol Gel Hand Wipes

Pier 1 Imports Cherry Anti-bacterial Hand Sanitizer

Reagent Alcohol, 70%

Reagent Alcohol, 80%

Reagent Alcohol, 95%

RL04444

Rue21 Coco Breeze Anti-bacterial Hand Sanitizer

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

Symmetry Foaming Hand Sanitizer With Aloe and Vitamin E

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

Vanilla Hand Sanitizer With Vitamin E and Aloe

2858_SIGMA

ALCOHOL 5% AND DEXTROSE 5%

Amoray Premium Instant Hand Sanitizer With Aloe and Vitamin E Lavender

Amoray Premium Instant Hand Sanitizer With Aloe and Vitamin E Original

Anti-bacterial Hand Ooh LA LA French Blooms

Anti-bacterial Hand Sanitizer 2 Pack Blue Sunshiny Scented

Anti-bacterial Hand Sanitizer 2 Pack Splash Apple Scented

Berry Hand Sanitizer With Vitamin E and Aloe

bmse000297

C00469

D00068

Dehydrated Alcohol, United States Pharmacopeia (USP) Reference Standard

DSSTox_CID_584

E7023_SIAL

E7148_SIAL

Endure 320 Advanced Care Waterless Antimicrobial Hand Rinse With Moisturizers

Ethanol (9CI)

Ethanol, denatured 1L

Fresh Hand Sanitizer With Vitamin E and Aloe

Hand Sanitizer Gift Set 3-pack

Handy Solutions Instant Hand Sanitizer With Aloe and Vitamin E

Harris Teeter Hand Sanitizer With Vitamin E and Aloe

Husky 515 Instant Hand Sanitizer

Instant Hand Sanitizer - Ice Clear

Instant Hand Sanitizer Extra Enriched With Vitamin E Bead Vanilla Scent

Instant Hand Sanitizer Extra Enriched With Vitamin E Lemon Fresh Scent

Ke-53ps Gel Hand Sanitizer

LTBB002977

Mellow Instant Hand Sanitizer With Aloe and Vitamin E

nchembio.94-comp20

Pier 1 Imports Crisp Bamboo Anti-bacterial Hand Sanitizer

Pier 1 Imports Ginger Peach Anti-bacterial Hand Sanitizer

Pier 1 Imports Lily Blossom Anti-bacterial Hand Sanitizer

Pier 1 Imports Passion Fruit Anti-bacterial Hand Sanitizer

Pier 1 Imports Sugared Plum Anti-bacterial Hand Sanitizer

Pier 1 Imports Vanilla Mint Anti-bacterial Hand Sanitizer

Rue 21 Legend Blueberry Anti Bacterial Hand Sanitizer

Rue 21 Paris Creamsicle Anti Bacterial Hand Sanitizer

Rue 21 Young Strawberry Anti Bacterial Hand Sanitizer

Symmetry Foaming Hand Sanitizer Fragrance Free With Aloe and Vitamin E

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

Triton Hs-777

Up and Up Alcohol Prep Pad

24102_RIEDEL

24103_RIEDEL

24105_RIEDEL

24106_RIEDEL

24194_RIEDEL

32205_RIEDEL

32221_RIEDEL

32294_RIEDEL

34963_RIEDEL

40210_ALDRICH

40210_RIEDEL

48075_SUPELCO

AHD 2000

Aire-master Sanitizer Gel Vit E/a

ALCOHOL 5% IN DEXTROSE 5%

Alcohol, United States Pharmacopeia (USP) Reference Standard

Anhydrol PM 4085

Anhydrous ethanol (JP17)

Antibacterial Hand Gift Set Icy Mint and Candy Cane

Antiseptic Hand Sanitizing Wipe Enriched With Vitamin E and Aloe Vera

Cvs Pharmacy Instant Hand Sanitizer With Aloe and Vitamin E

DAP000681

DTXSID9020584

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

Ethanol, anhydrous, denatured, HPLC Grade

Ethyl Alcohol Absolute (Organic) USP Grade

FEMA Number 2419

Health and Beyond Instant Hand Sanitizer Twin Pack Twin Pack

Instant Hand Sanitizer (gel-type)

Instant Hand Sanitizer Original With Aloe Vera and Vitamin E

Instant Hand Sanitizer With Moisturizers (aloe Vera and Moisturizers)

Love and Beauty Melon and Mint Anti-bacterial Hand Sanitizer

LS-1539

nchem.651-comp3c

OR034186

OR208849

OR242365

OR245565

OR271134

OR369097

Pdi Sani-hands for Kids Antimicrobial Alcohol Gel Hand Wipes

Pier 1 Imports Iced Cookie Anti-bacterial Hand Sanitizer

Purell Instant Hand Sanitizer Foam (ethyl Alcohol)

Rue 21 Apple Anti Bacterial Hand Sanitizer

Rue21 Runway 21 Antibacterial Hand Sanitizer

STL264245

The Fresh Market Hand Sanitizer With Moisturizers Aloe and Vitamin E

UN 1170

02483_FLUKA

02851_FLUKA

02853_FLUKA

02854_FLUKA

02855_FLUKA

02856_FLUKA

02856_SIAL

02857_FLUKA

02857_SIAL

02858_FLUKA

02858_SIAL

02860_FLUKA

02865_FLUKA

02865_SIAL

02870_FLUKA

02870_SIAL

02875_FLUKA

02877_FLUKA

02878_FLUKA

02882_FLUKA

02882_SIAL

02883_FLUKA

02884_FLUKA

02890_FLUKA

02890_SIAL

02891_FLUKA

02891_SIAL

24102_SIAL

24103_SIAL

24105_SIAL

24106_SIAL

24194_SIAL

29221_FLUKA

32205_SIAL

32221_SIAL

32294_SIAL

34870_SIAL

39278_FLUKA

41322_FLUKA

ALCOHOL 10% AND DEXTROSE 5%

Alcohol dehydrated, >=85.0%

Alcohol, pharmaceutical secondary standard: traceable to USP, PhEur

Alcohols, C1-3

Alcohols, C6-9

Anti-bacterial Hand Sanitizer 2 Pack Blue Day Scented

Anti-bacterial Hand Sanitizer 3 Pack Blue Day Scented

Antibacterial Hand - Witchs Brew and Scaredy Cat

CHEBI:16236

CHEBI:17246

D000431

Enmotion Hand Sanitizer With Moisturizers, Fragrance Free, Dye Free

Ethyl Alcohol 47.5%

Ethyl Alcohol 95% ACS/USP Grade

Ethyl Alcohol Absolute (Synthetic) ACS/USP Grade

ETHYL, 2-HYDROXY-

Fatty Alcohol C8-10

Hand and Nature Sanitizer Peach 250ml

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

Janitech Jan-HS-40 Instant Hand Sanitizer

Just 4 Girl Waterless Anti Bacterial Hand Sanitizer Berry Blast

My Instant Hand Sanitizer With Aloe and Vitamin E

nchembio.552-comp10

NCI-C03134

Ru-Tuss Expectorant (Salt/Mix)

Rue 21 Fallen Vixen Anti Bacterial Hand Sanitizer

Rue 21 Queen Cherry Anti Bacterial Hand Sanitizer

Rue 21 Sugar Cookie Anti Bacterial Hand Sanitizer

United Laboratories 464 Pump and Protect Alcohol Hand Sanitizer

(C6-C9)Alkyl alcohol

187380_ALDRICH

245119_ALDRICH

270741_ALDRICH

277649_ALDRICH

3K9958V90M

458600_ALDRICH

459828_ALDRICH

459836_ALDRICH

493538_ALDRICH

493546_ALDRICH

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

AN-41865

Anti-bacterial Hand Sanitizer 3 Pack 2

ANW-42207

DSSTox_GSID_20584

Ethanol, >=99.5%

Ethanol, technical grade, 93%

Ethanol, technical grade, 99%

Ethyl alcohol & water, 5%

Health Smart Instant Hand Sanitizer With Aloe Vera and Vitamin E

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

Ihs 2000 Instant Hand Sanitizer

Mini Hand Sanitizer - Coconut and Lime

Mini Hand Sanitizer - Orange and Lemon

NSC 85228

NSC-85228

Rue 21 Asian Spice Anti-bacterial Hand Sanitizer

Rue 21 Love Cherry Blossom Anti Bacterial Hand Sanitizer

SC-25298

SDA 40-2

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

187380_SIAL

245119_SIAL

270741_SIAL

277649_SIAL

458600_SIAL

459828_SIAL

459836_SIAL

459844_SIAL

493511_SIAL

493538_SIAL

493546_SIAL

676829_SIAL

ALCOHOL 5% IN D5-W

Caswell No. 430

DSSTox_RID_75674

Endure 300 Cida Rinse Gel Antimicrobial Hand Rinse

Ethanol, 99.8%

Ethanol, tested according to Ph.Eur.

Hand Sanitizer Lil Drug Store Products, Inc.

MFCD00003568

Pier 1 Imports Melon and Mint Anti-bacterial Hand Sanitizer

SDM No. 37

ZINC12358605

[CH2Me(OH)]

AI3-01706

Ethanol, UV HPLC spectroscopic, 95%

Ethyl alcohol & water, 10%

Ethyl alcohol & water, 20%

Ethyl alcohol & water, 30%

Ethyl alcohol & water, 40%

Ethyl alcohol & water, 50%

Ethyl alcohol & water, 60%

Ethyl alcohol & water, 70%

Ethyl alcohol & water, 80%

Ethyl alcohol & water, 95%

Ethyl alcohol & water, 96%

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

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

Instant Hand Sanitizer With Moisturizers (vitamin E and Aloe)

Pacific Garden Foam Hand Sanitizer, Fragrance Free, Dye Free

RTR-022011

Ru-Tuss Liquid (Salt/Mix)

Rue 21 Free Spirit Fresh Flowers Anti Bacterial Hand Sanitizer

TR-022011

UNII-3K9958V90M

AKOS009104571

EPA Pesticide Chemical Code 001501

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

Reagent Alcohol, 70%, used for histology tissue preparation

Reagent Alcohol, 80%, used for histology tissue preparation

Reagent Alcohol, 95%, Used for histology tissue preparation

CDA 19-200

Ethanol, >50% in a non hazardous diluent

Ethanol, Reagent (Denatured SDA 3A)

Ethyl Alcohol 95% (Synthetic) FCC Grade

FEMA No. 2419

FT-0622588

FT-0625728

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

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

Rue 21 Dream Dance Love Vanilla Spice Anti Bacterial Hand Sanitizer

64-17-5

B4 Hand Sanitizer 500 Single-use Packs

Ethanol, >=99.5%, suitable for fluorescence

Ethanol, denatured, (UK IDA standard)

I14-12648

Orchid By H E B Jasmine Tea and Basil

Vida Mia Hand Sanitizer (62%)

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

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

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

Ethanol, technical grade, 93.8%

Ethanol, technical grade, 99.5%

Tox21_202510

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

Ethyl Alcohol 95% (Grain Derived) FCC Grade

Ethyl Alcohol 95% (Synthetic) ACS/USP Grade

CAS-64-17-5

Ethanol, USP, 99.5%

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

Reagent Alcohol, anhydrous, <=0.003% water

Reagent Alcohol, anhydrous, <=0.005% water

8000-16-6

8024-45-1

Ethanol, >=99.5%, for HPLC

Ethanol, JIS special grade, >=99.5%

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

MCULE-8818474596

NCGC00091458-01

NCGC00091458-02

NCGC00260059-01

Vida Mia Hand Sanitizer Aloe Vera (62%)

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

7-11 Instant Hand Sanitizer With Aloe and Vitamin E

EINECS 200-578-6

EINECS 270-649-4

Ethanol, >=99.5%, SAJ super special grade

Ethanol, SAJ first grade, >=99.5%

68475-56-9

71076-86-3

71329-38-9

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

113-EP0930075A1

113-EP1441224A2

113-EP2269610A2

113-EP2269977A2

113-EP2269978A2

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

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

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

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

SR-01000944357

Vida Mia Hand Sanitizer (70% V/v)

121182-78-3

Ethanol, absolute, for HPLC, >=99.8%

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

Ethyl alcohol, Pure, 190 proof, for molecular biology

Ethyl alcohol, Pure, 200 proof, for molecular biology

SDM No. 37 (Salt/Mix)

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

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

1037-EP2269996A1

1037-EP2270002A1

1037-EP2270006A1

1037-EP2272848A1

1037-EP2274983A1

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

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1037-EP2292280A1

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4260-EP2270003A1

4260-EP2270006A1

4260-EP2270008A1

4260-EP2270010A1

4260-EP2270011A1

4260-EP2270012A1

4260-EP2270013A1

4260-EP2270015A1

4260-EP2270018A1

4260-EP2272510A1

4260-EP2272825A2

4260-EP2272826A1

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4260-EP2272848A1

4260-EP2275102A1

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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

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4260-EP2295429A1

4260-EP2295432A1

4260-EP2295433A2

4260-EP2295435A1

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4260-EP2295441A2

4260-EP2295503A1

4260-EP2298312A1

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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

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4260-EP2305660A1

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4260-EP2308852A1

4260-EP2308861A1

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4260-EP2308870A2

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4260-EP2308875A1

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4260-EP2308879A1

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4260-EP2311802A1

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4260-EP2311808A1

4260-EP2311821A1

4260-EP2311824A1

4260-EP2311825A1

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4260-EP2316836A1

4260-EP2316905A1

4260-EP2316906A2

4260-EP2371813A1

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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)

Microorganism:

Yes

IUPAC name

ethanol

SMILES

CCO

Inchi

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

Formula

CH₃CH₂OH

PubChem ID

702

Molweight

46.069

LogP

-0.16

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

Alcohols

mVOC Specific Details

Volatilization

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

Soil Adsorption

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

Vapor Pressure

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

MS-Links

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

MS-MS Spectrum 21058

1D-NMR-Links

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

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

1D NMR Spectrum 4986

1D NMR Spectrum 4985

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

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

Microorganisms emitting the compound

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

Method

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

Methylsulfanylmethane

Mass-Spectra

Compound Details

Synonymous names

METHYLSULFANYLMETHANE

Methanethiomethane

Dimethylsulphide

Methylthiomethane

dimethylsulfane

Dimethylsulfid

dimethylsulfide

Methylsulphide

Methylthiomethyl radical

Thiobismethane

(Methylthiomethylidyne)radical

methylsulfide

Dimethyl monosulfide

Thiopropane

dimethyl sulphide

Dimethyl thioether

Methyl monosulfide

QMMFVYPAHWMCMS-UHFFFAOYSA-N

reduced dimethyl sulfoxide

dimethyl sulfide

Methyl sulphide

Methyl thioether

Thiobis-methane

(Methylsulfanyl)methane

Methyl sulfide

REDUCED-DMSO

(methylthio)methane

Dimethyl sulfide, analytical standard

Dimethyl sulfoxide(Reduced)

Sulfure de methyle

(Methylsulfanyl)methane #

2-Thiapropane

2-Thiopropane

AC1L1ANN

Exact-S

Thiobis(methane)

ACMC-1BBLH

C2H6S

Dimethylsulfid [Czech]

Nat. Dimethyl Sulfide

Dimethyl sulfide (natural)

Methane, thiobis-

QS3J7O7L3U

KSC377G0P

Sulfide, methyl-

6873AF

CHEMBL15580

Dimethyl sulfide, >=99%

UN1164

UNII-QS3J7O7L3U

CTK2H7307

Dimethyl sulfide, 98%

HMDB02303

HSDB 356

M0431

[SMe2]

RP18263

Sulfure de methyle [French]

C00580

LTBB002388

(CH3)2S

DTXSID9026398

LS-2960

methyl sulphide, dimethyl sulphide, exact-S, thiobismethane

OR000121

OR337379

STL481894

UN 1164

A838342

CHEBI:17437

AN-23841

ANW-36574

KB-76628

SC-26847

Dimethyl sulfide, >=99%, FCC

MFCD00008562

AI3-25274

RTR-024212

TR-024212

AKOS009031411

I09-0087

Q-100810

BRN 1696847

Dimethyl sulfide, anhydrous, >=99.0%

FEMA No. 2746

FT-0603084

Methane, 1,1'-thiobis-

75-18-3

Dimethyl sulfide, 99% 250ml

MCULE-4525381422

Dimethyl sulfide, redistilled, >=99%, FCC, FG

EINECS 200-846-2

31533-72-9

Dimethyl sulfide [UN1164] [Flammable liquid]

Dimethyl sulfide, >=95.0% (GC)

Dimethyl sulfide, natural, >=99%, FCC, FG

MolPort-003-928-951

Dimethyl sulfide [UN1164] [Flammable liquid]

13741-EP2269977A2

13741-EP2277865A1

13741-EP2280006A1

13741-EP2284171A1

13741-EP2287153A1

13741-EP2298767A1

13741-EP2305656A1

13741-EP2308851A1

13741-EP2308873A1

13741-EP2311820A1

13741-EP2314576A1

13741-EP2314587A1

13741-EP2316836A1

13838-EP2292595A1

13838-EP2295409A1

13838-EP2295426A1

13838-EP2295427A1

13838-EP2295437A1

13838-EP2298775A1

13838-EP2311820A1

13838-EP2316836A1

18767-EP2270003A1

18767-EP2272832A1

18767-EP2277848A1

18767-EP2292576A2

18767-EP2292597A1

18767-EP2301933A1

18767-EP2305672A1

18767-EP2308510A1

18767-EP2308838A1

18767-EP2308877A1

18767-EP2311827A1

18767-EP2314576A1

18767-EP2314587A1

47704-EP2280006A1

47704-EP2311811A1

80926-EP2295426A1

80926-EP2295427A1

80926-EP2305687A1

Dimethyl sulfide, puriss., >=99.0% (GC)

InChI=1/C2H6S/c1-3-2/h1-2H

4-01-00-01275 (Beilstein Handbook Reference)

Microorganism:

Yes

IUPAC name

methylsulfanylmethane

SMILES

CSC

Inchi

InChI=1S/C2H6S/c1-3-2/h1-2H3

Formula

C₂H₆S

PubChem ID

1068

Molweight

62.13

LogP

1.22

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

Sulfides Sulfide thioethers sulfur compounds

mVOC Specific Details

Volatilization

The Henry's Law constant for dimethyl sulfide has been measured as 1.61X10-3 atm-cu m/mole(1). This Henry's Law constant indicates that dimethyl sulfide 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 3 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 3 days(SRC). Dimethyl sulfides's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). The potential for volatilization of dimethyl sulfide from dry soil surfaces may exist(SRC) based upon a vapor pressure of 502 mm Hg(3).
Literature: (1) Gaffney, JS et al; Env Sci Tech 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. Vol 4. Design Inst Phys Prop Data, Amer Inst Chem Eng, NY, NY: Hemisphere Pub Corp (1989)

Soil Adsorption

The Koc of dimethyl sulfide is estimated as 6.3(SRC), using a water solubility of 22,000 mg/L(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that dimethyl sulfide is expected to have very high mobility in soil.
Literature: (1) Suzuki T; J Comp-Aided Molec Des 5: 149-66 (1991) (2) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.0. Jan, 2009. Available from http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm as of Oct 1, 2009. (3) Swann RL et al; Res Rev 85: 17-28 (1983)
Literature: #Air-dried, unsterilized moist, and sterilized moist soils exposed to air initially containing 500 ppm dimethyl sulfide adsorbed an avg of 32, 308, and 10 ug dimethyl sulfide/g soil, respectively, in 15 days(1). Time required for complete sorption of dimethyl sulfide by moist soil from air initially containing 100 ppm dimethyl sulfide: soil 1 (Weller) - 1st exposure 150 min, 2nd exposure 100 min, 3rd exposure 95 min; soil 2 (Harps) - 1st exposure 45 min, 2nd exposure 24 min, 3rd exposure 19 min(1). These data suggest that moist soils have a greater tendency to adsorb dimethyl sulfide than dry soils, and that microbial activity in moist soils may be responsible for greater adsorption(1). When natural gas containing 0.5 pounds of dimethyl sulfide per million cubic feet of gas was passed through a bed of pulverized, dry, montmorillonite clay, dimethyl sulfide exhibited a fast breakthrough (2 hours) and a fast build-up rate in effluent gas (85% of influent concn 4 hours after breakthrough), suggesting that dimethyl sulfide does not adsorb to dry soils(2).
Literature: (1) Bremner JM, Banwart WL; Soil Biol Biochem 8: 79-83 (1976) (2) Williams RP; Oper Sect Proc - Am Gas Assoc pp. T29-T37 (1976)

Vapor Pressure

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

MS-Links

MS-MS Spectrum 8026

MS-MS Spectrum 6344 - EI-B (HITACHI M-80) Positive

MS-MS Spectrum 8024

MS-MS Spectrum 14697

MS-MS Spectrum 14696

MS-MS Spectrum 6343 - EI-B (HITACHI RMU-7M) Positive

MS-MS Spectrum 6345 - EI-B (HITACHI M-80B) Positive

1D-NMR-Links

1D NMR Spectrum 1871 - Varian 500 MHz 1H NMR

Microorganisms emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Bacteria	Burkholderia Ambifaria LMG 17828	n/a	Burkholderia ambifaria LMG 17828 from root, LMG 19182 from rhizosphere and LMG 19467 from clinical.	Groenhagen et al., 2013
Bacteria	Burkholderia Ambifaria LMG 19182	n/a	Burkholderia ambifaria LMG 17828 from root, LMG 19182 from rhizosphere and LMG 19467 from clinical.	Groenhagen et al., 2013
Bacteria	Burkholderia Ambifaria LMG 19467	n/a	Burkholderia ambifaria LMG 17828 from root, LMG 19182 from rhizosphere and LMG 19467 from clinical.	Groenhagen et al., 2013
Bacteria	Alcaligenes Faecalis	n/a		Schulz and Dickschat, 2007
Bacteria	Alpha Proteobacteria Group	n/a		Schulz and Dickschat, 2007
Bacteria	AMI 386	na	breathing zone of a waste collection worker	Wilkins, 1996
Bacteria	Clostridium Sp.	n/a		Stotzky and Schenk, 1976
Bacteria	Collimonas Fungivorans Ter331	n/a		Garbeva et al., 2013
Bacteria	Collimonas Pratensis Ter91	n/a		Garbeva et al., 2013
Bacteria	Desulfovibrio Acrylicus	n/a		Schulz and Dickschat, 2007
Bacteria	Gamma Proteobacteria	n/a		Schulz and Dickschat, 2007
Bacteria	Lactobacillus Sp.	n/a		Schulz and Dickschat, 2007
Bacteria	Lactococcus Sp.	n/a		Schulz and Dickschat, 2007
Bacteria	Paenibacillus Sp. P4	na	rhizosphere of Marram grass in sandy dune soils, Netherlands	Garbeva et al., 2014
Bacteria	Parasporobacterium Paucivorans	n/a		Schulz and Dickschat, 2007
Bacteria	Pedobacter Sp. V48	na	rhizosphere of Marram grass in sandy dune soils, Netherlands	Garbeva et al., 2014
Bacteria	Pseudomonas Aeruginosa PA01	stimulates growth of Aspergillus fumigatus	na	Briard et al., 2016
Bacteria	Pseudomonas Flureorescens SBW25			Cheng et al. 2016
Bacteria	Pseudonocardia Thermophila DSM 43832	na	soil	Wilkins, 1996
Bacteria	Ralstonia Solanacearum	na	na	Spraker et al., 2014
Bacteria	Saccharomonospora Rectivirgula DSM 43113	na	soil	Wilkins, 1996
Bacteria	Serratia Plymuthica PRI-2C	na	maize rhizosphere, Netherlands	Garbeva et al., 2014
Bacteria	Serratia Sp. DM1	the results led us to propose a possible new direct long-distance mechanism of action for WT antagonistic F. oxysporum that is mediated by vocs		Minerdi et al., 2009
Fungi	Fusarium Sp.			Brock et al. 2011
Fungi	Penicillium Commune Pitt	na	in dry-cured meat products, cheese	Sunesson et al., 1995
Fungi	Penicillium Sp.			Larsen 1998
Fungi	Tuber Simonea	None	None	March et al., 2006
Fungi	Tuber Aestivum	n/a	Ayme Truffe of Grignan, 26230 France	March et al., 2006
Fungi	Tuber Magnatum	n/a	Italian geographical areas ( Umbria, Piedmont, Marche, Emilia Romagna, Border region area between Emilia Romagna and Marche, Tuscany, Molise)	Gioacchini et al., 2008
Fungi	Tuber Melanosporum	n/a	Ayme Truffe of Grignan, 26230 France	March et al., 2006
Fungi	Tuber Mesentericum	n/a	Ayme Truffe of Grignan, 26230 France	March et al., 2006
Fungi	Tuber Miesentericum	None	None	March et al., 2006
Fungi	Tuber Rufum	n/a	Ayme Truffe of Grignan, 26230 France	March et al., 2006
Fungi	Tuber Simonea	n/a	Ayme Truffe of Grignan, 26230 France	March et al., 2006
Fungi	Tuber Uncinatum	n/a	France, Italy, Switzerland, the UK, Austria, Romania, and Hungary	Splivallo et al., 2012
Bacteria	Mycobacterium Bovis	n/a		MCNerney et al., 2012
Bacteria	Pseudomonas Putida KT 2442	na	na	Schoeller et al., 1997
Fungi	Tuber Aestivum	n/a	T. melanosporum was from the cultivated truffle zones in the province and T. aestivum from the natural truffle zones in the same region	Cullere et al., 2010
Fungi	Tuber Melanosporum	n/a	T. melanosporum was from the cultivated truffle zones in the province and T. aestivum from the natural truffle zones in the same region	Cullere et al., 2010
Bacteria	Clostridium Difficile R002	na	stool specimens, from patients infected with clostridium difficile	Kuppusami et al., 2015
Bacteria	Clostridium Difficile R013	na	stool specimens, from patients infected with clostridium difficile	Kuppusami et al., 2015
Bacteria	Clostridium Difficile R014/R020	na	stool specimens, from patients infected with clostridium difficile	Kuppusami et al., 2015
Bacteria	Clostridium Difficile R026	na	stool specimens, from patients infected with clostridium difficile	Kuppusami et al., 2015
Bacteria	Clostridium Difficile R027	na	stool specimens, from patients infected with clostridium difficile	Kuppusami et al., 2015
Bacteria	Clostridium Difficile R076	na	na	Kuppusami et al., 2015
Bacteria	Clostridium Difficile R087	na	stool specimens, from patients infected with clostridium difficile	Kuppusami et al., 2015
Bacteria	Enterobacter Agglomerans			Robacker and Lauzon 2002
Bacteria	Pseudomonas Aeruginosa		clinic	Preti., 2009
Fungi	Aspergillus Versicolor			Schleibinger et al.,2005
Fungi	Chaetomium Globosum			Schleibinger et al.,2005
Fungi	Eurotium Amstelodami			Schleibinger et al.,2005
Fungi	Tuber Aestivum	n/a	Prof. Mattia Bentivenga (UniversitÃƒÂ di Perugia, Perugia, Italy) and in the fortywoodland of the Basilicata region	Mauriello et al., 2004
Fungi	Tuber Brumale	n/a	Prof. Mattia Bentivenga (UniversitÃƒÂ di Perugia, Perugia, Italy) and in the fortywoodland of the Basilicata region	Mauriello et al., 2004
Fungi	Tuber Excavatum	n/a	Prof. Mattia Bentivenga (UniversitÃƒÂ di Perugia, Perugia, Italy) and in the fortywoodland of the Basilicata region	Mauriello et al., 2004
Fungi	Tuber Magnatum	n/a	Prof. Mattia Bentivenga (UniversitÃƒÂ di Perugia, Perugia, Italy) and in the fortywoodland of the Basilicata region	Mauriello et al., 2004
Fungi	Tuber Melanosporum	n/a	Prof. Mattia Bentivenga (UniversitÃƒÂ di Perugia, Perugia, Italy) and in the fortywoodland of the Basilicata region	Mauriello et al., 2004
Fungi	Tuber Mesentericum	n/a	Prof. Mattia Bentivenga (UniversitÃƒÂ di Perugia, Perugia, Italy) and in the fortywoodland of the Basilicata region	Mauriello et al., 2004

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Bacteria	Burkholderia Ambifaria LMG 17828	Luria-Bertani medium, Malt Extract	n/a
Bacteria	Burkholderia Ambifaria LMG 19182	Luria-Bertani medium, Malt Extract	n/a
Bacteria	Burkholderia Ambifaria LMG 19467	Luria-Bertani medium, Malt Extract	n/a
Bacteria	Alcaligenes Faecalis	n/a	n/a
Bacteria	Alpha Proteobacteria Group	n/a	n/a
Bacteria	AMI 386	Nutrient agar CM3 + 50mg/l actidione	GC/MS
Bacteria	Clostridium Sp.	n/a	n/a
Bacteria	Collimonas Fungivorans Ter331	sand supplemented with artificial root exudates	Headspace trapping/GC-MS
Bacteria	Collimonas Pratensis Ter91	sand supplemented with artificial root exudates	Headspace trapping/GC-MS
Bacteria	Desulfovibrio Acrylicus	n/a	n/a
Bacteria	Gamma Proteobacteria	n/a	n/a
Bacteria	Lactobacillus Sp.	n/a	n/a
Bacteria	Lactococcus Sp.	n/a	n/a
Bacteria	Paenibacillus Sp. P4	sand containing artificial root exudates	GC/MS	No
Bacteria	Parasporobacterium Paucivorans	n/a	n/a
Bacteria	Pedobacter Sp. V48	sand containing artificial root exudates	GC/MS	No
Bacteria	Pseudomonas Aeruginosa PA01	minimal medium/ Brian medium	SPME-GC/MS	No
Bacteria	Pseudomonas Flureorescens SBW25	Kings B + rif,+kann; PDA	GC-Q-TOF-MS	no
Bacteria	Pseudonocardia Thermophila DSM 43832	Nutrient agar CM3	GC/MS
Bacteria	Ralstonia Solanacearum	Casamino Acid Peptone Glucose agar	SPME-GC/MS	No
Bacteria	Saccharomonospora Rectivirgula DSM 43113	Nutrient agar CM3	GC/MS
Bacteria	Serratia Plymuthica PRI-2C	sand containing artificial root exudates	GC/MS	No
Bacteria	Serratia Sp. DM1	LB medium	SPME/GC-MS
Fungi	Fusarium Sp.			no
Fungi	Penicillium Commune Pitt	MEA	GC/MS
Fungi	Penicillium Sp.			no
Fungi	Tuber Simonea	None	Pressure balanced head-space sampling and GC/TOF-MS	No
Fungi	Tuber Aestivum	n/a	Pressure balanced head-space sampling and GC/TOF-MS
Fungi	Tuber Magnatum	n/a	microextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)
Fungi	Tuber Melanosporum	n/a	Pressure balanced head-space sampling and GC/TOF-MS
Fungi	Tuber Mesentericum	n/a	Pressure balanced head-space sampling and GC/TOF-MS
Fungi	Tuber Miesentericum	None	Pressure balanced head-space sampling and GC/TOF-MS	No
Fungi	Tuber Rufum	n/a	Pressure balanced head-space sampling and GC/TOF-MS
Fungi	Tuber Simonea	n/a	Pressure balanced head-space sampling and GC/TOF-MS
Fungi	Tuber Uncinatum	n/a	SPME-GC-MS
Bacteria	Mycobacterium Bovis	Loewenstein-Jensen media	Headspace analyze / SIFT-MS and TD-GC-MS.
Bacteria	Pseudomonas Putida KT 2442	AB medium + 1% citrate or 0,02% citrate or 1% glucose +1% casaminoacid	GC-FID,GC/MS
Fungi	Tuber Aestivum	n/a	Gas chromatography-olfactometry (GC-O)
Fungi	Tuber Melanosporum	n/a	Gas chromatography-olfactometry (GC-O)
Bacteria	Clostridium Difficile R002	brain heart infusion agar with 7% horse blood	PTR-ToF-MS	No
Bacteria	Clostridium Difficile R013	brain heart infusion agar with 7% horse blood	PTR-ToF-MS	No
Bacteria	Clostridium Difficile R014/R020	brain heart infusion agar with 7% horse blood	PTR-ToF-MS	No
Bacteria	Clostridium Difficile R026	brain heart infusion agar with 7% horse blood	PTR-ToF-MS	No
Bacteria	Clostridium Difficile R027	brain heart infusion agar with 7% horse blood	PTR-ToF-MS	No
Bacteria	Clostridium Difficile R076	brain heart infusion agar with 7% horse blood	PTR-ToF-MS	No
Bacteria	Clostridium Difficile R087	brain heart infusion agar with 7% horse blood	PTR-ToF-MS	No
Bacteria	Enterobacter Agglomerans			no
Bacteria	Pseudomonas Aeruginosa	Blood agar/chocolate blood aga	HS-SPME/GC-MS	no
Fungi	Aspergillus Versicolor	ingrain wallpaper	GC/MS-SIM	Yes
Fungi	Chaetomium Globosum	ingrain wallpaper	GC/MS-SIM	Yes
Fungi	Eurotium Amstelodami	ingrain wallpaper	GC/MS-SIM	Yes
Fungi	Tuber Aestivum	n/a	microextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)
Fungi	Tuber Brumale	n/a	microextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)
Fungi	Tuber Excavatum	n/a	microextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)
Fungi	Tuber Melanosporum	n/a	microextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)
Fungi	Tuber Mesentericum	n/a	microextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)

Toluene

Mass-Spectra

Compound Details

Synonymous names

methylbenzene

methylbenzol

Phenylmethane

Benzylidyne radical

paratoluene

methacide

monomethyl benzene

YXFVVABEGXRONW-UHFFFAOYSA-N

Anisen

Cresyl

Dracyl

Otoline

Tolueen

Toluen

toluene

Toluene, Spectrophotometric Grade

Tolueno

toluol

Toluolo

methyl-Benzene

phenyl methane

para-toluene

1-Methylbenzene

2-methylbenzene

4-methylbenzene

p-toluene

Toluene HPLC grade

Toluene, analytical standard

Toluene, anhydrous

Toluene, Environmental Grade

Toluene, Semiconductor Grade

AC1L1ATE

tolu-sol

Toluene ACS Grade

Toluene Reagent Grade ACS

toluene-

antisal 1a

Benzene, methyl

4i7k

Toluene disproportionation catalyst ZA-90

2-methyl benzene

AC1L4W1C

ACMC-20egwh

Toluene (Technical)

Toluene, ACS reagent

Toluene, HPLC Grade

Toluene, suitable for determination of dioxins

CHEMBL9113

Residual Solvent - Toluene

Toluene, for HPLC

Tolueno [Spanish]

Toluolo [Italian]

Benzene, methyl-

GTPL5481

Methane, phenyl-

PHENYL, METHYL-

Tolueen [Dutch]

TOLUENE- D8

Toluene, pharmaceutical secondary standard; traceable to USP

CP 25

LS-26

Toluen [Czech]

Toluene GC, for residue analysis

UN1294

3FPU23BG52

HSDB 131

S0638

WLN: 1R

BIDD:ER0288

RL00380

C01455

CCRIS 2366

LTBB002867

OTOLINE (9CI)

RCRA waste number U220

UNII-3FPU23BG52

ZINC967534

NSC406333

OR034283

OR079732

OR199992

OR242367

OR252118

OR256430

OR274999

OR328992

UN 1294

ZB015462

300204X

A801937

CHEBI:17578

DSSTox_CID_1360

NCI-C07272

AN-42912

ANW-44012

DSSTox_GSID_21360

KB-54750

SC-19104

BDBM50008558

Caswell No. 859

DSSTox_RID_76107

MFCD00008512

Toluene, 99.5%

Toluene, LR, >=99%

AI3-02261

NSC 406333

NSC-406333

RTR-002003

TR-002003

AKOS015840411

EPA Pesticide Chemical Code 080601

I01-4407

RCRA waste no. U220

Toluene, ACS spectrophotometric grade, >=99.5%

ZINC100116646

FT-0626841

FT-0654077

FT-0659221

Toluene, Laboratory Reagent, >=99.3%

Toluene, suitable for scintillation, >=99.7%

Poly(1,4-phenylenemethylene)(9CI)

Toluene, 99% 1L

Toluene, anhydrous, 99.8%

Toluene, purification grade, 99.8%

Toluene, LR, rectified, 99%

Toluene, technical grade, 95.0%

Tox21_111042

Tox21_201224

108-88-3

Toluene, ACS reagent, >=99.5%

Toluene, AR, >=99.5%

Toluene, ASTM, 99.5%

Toluene, PRA grade, >=99.8%

Toluene, UV HPLC spectroscopic, 99.5%

MCULE-4817136027

NCGC00090939-01

NCGC00090939-02

NCGC00090939-03

NCGC00258776-01

Toluene, for HPLC, >=99.8%

Toluene, for HPLC, >=99.9%

Toluene, HPLC grade, 99.8%

Toluene, JIS special grade, >=99.5%

Toluene, LR, sulfur free, 99%

CAS-108-88-3

EINECS 203-625-9

Toluene, for HPLC, 99.9%

Toluene, SAJ first grade, >=99.0%

50643-04-4

Toluene [UN1294] [Flammable liquid]

941-EP0930075A1

941-EP2269975A2

941-EP2269977A2

941-EP2269978A2

941-EP2269979A1

941-EP2269985A2

941-EP2269986A1

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941-EP2270101A1

941-EP2270113A1

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941-EP2270505A1

941-EP2272509A1

941-EP2272516A2

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941-EP2284165A1

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941-EP2284172A1

941-EP2284174A1

941-EP2284920A1

941-EP2286811A1

941-EP2286915A2

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941-EP2287141A1

941-EP2287147A2

941-EP2287148A2

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941-EP2289897A1

941-EP2289965A1

941-EP2292227A2

941-EP2292228A1

941-EP2292233A2

941-EP2292586A2

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941-EP2295053A1

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941-EP2295439A1

941-EP2295503A1

941-EP2298312A1

941-EP2298313A1

941-EP2298729A1

941-EP2298731A1

941-EP2298734A2

941-EP2298735A1

941-EP2298736A1

941-EP2298737A1

941-EP2298739A1

941-EP2298740A1

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941-EP2298775A1

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941-EP2298778A1

941-EP2298779A1

941-EP2298780A1

941-EP2298783A1

941-EP2298828A1

941-EP2299326A1

941-EP2299509A1

941-EP2299510A1

941-EP2299785A1

941-EP2301536A1

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941-EP2301627A1

941-EP2301911A1

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941-EP2301937A1

941-EP2301939A1

941-EP2301940A1

941-EP2301983A1

941-EP2302003A1

941-EP2302015A1

941-EP2305219A1

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941-EP2305674A1

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941-EP2311807A1

941-EP2311808A1

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941-EP2311815A1

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941-EP2311829A1

941-EP2311830A1

941-EP2311831A1

941-EP2311835A1

941-EP2311836A1

941-EP2314295A1

941-EP2314558A1

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941-EP2374787A1

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941-EP2380568A1

941-EP2380867A1

941-EP2380873A1

941-EP2380874A2

EC 203-625-9

SR-01000944565

Toluene, AR, rectified, 99.5%

4489-EP2272846A1

Toluene, suitable for 5000 per JIS, for residue analysis

1053657-77-4

1202864-97-8

Toluene [UN1294] [Flammable liquid]

28403-EP2269977A2

28403-EP2311830A1

28403-EP2314581A1

28443-EP2269995A1

28443-EP2275403A1

28443-EP2284178A2

28443-EP2284179A2

28443-EP2292615A1

28443-EP2298738A1

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28443-EP2305685A1

28443-EP2305686A1

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28443-EP2314581A1

28443-EP2371805A1

28443-EP2377847A1

48782-EP2272834A1

48782-EP2275398A1

48782-EP2284165A1

48782-EP2298745A1

48782-EP2301929A1

48782-EP2301935A1

48782-EP2305674A1

48782-EP2311812A1

56745-EP2272846A1

56745-EP2275408A1

56745-EP2275422A1

56745-EP2277862A2

56745-EP2277868A1

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56745-EP2277870A1

56745-EP2281861A2

56745-EP2284166A1

56745-EP2287164A1

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56745-EP2292608A1

56745-EP2292616A1

56745-EP2292625A1

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56745-EP2298077A1

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56745-EP2298749A1

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56745-EP2305031A1

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56745-EP2305034A1

56745-EP2305035A1

56745-EP2308866A1

56745-EP2308878A2

56745-EP2371806A1

56745-EP2371807A1

56745-EP2371823A1

56745-EP2374791A1

56745-EP2380874A2

Toluene, p.a., 99.5%

133890-EP2275410A1

133890-EP2295420A1

SR-01000944565-1

Toluene liquid density, NIST(R) SRM(R) 211d

Toluene, for residue analysis, >=99.8% (GC)

Toluene, anhydrous, ZerO2(TM), 99.8%

Toluene, for HPLC, >=99.7% (GC)

Toluene, puriss., >=99.5% (GC)

TOLUENE (TECHNICAL) (SEE ALSOTOLUENE (NITRATION GRADE) NTP10009-V)

TOLUENE (SEE ALSO TOLUENE (TECHNICAL), NTP 11617-L)

Toluene, suitable for 300 per JIS, for residue analysis, >=99.8%

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

Toluene, suitable for 1000 per JIS, for residue analysis, >=99.8%

Toluene, p.a., ACS reagent, reag. ISO, 99.5%

Toluene, absolute, over molecular sieve (H2O <=0.005%), >=99.7% (GC)

InChI=1/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H

Toluene, p.a., ACS reagent, reag. ISO, reag. Ph. Eur., 99.5%

Toluene, puriss. p.a., ACS reagent, reag. ISO, reag. Ph. Eur., >=99.7% (GC)

Microorganism:

Yes

IUPAC name

toluene

SMILES

CC1=CC=CC=C1

Inchi

InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3

Formula

C₆H₅CH₃

PubChem ID

1140

Molweight

92.141

LogP

2.49

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

Benzenoids alkylbenzenes

mVOC Specific Details

Volatilization

The Henry's Law constant for toluene is 6.64X10-3 atm-cu m/mole(1). This Henry's Law constant indicates that toluene 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 2.9 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)(2) is estimated as 3.8 days(SRC). Toluene's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). Toluene is expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 28.4 mm Hg(3). The air-water interface equilibrium partitioning coefficient for toluene, at a concentration of 0.47 mg/L, has been reported to be 0.223, 0.226, 0.273, and 0.336 at 26.9, 31.9, 36.9, and 41.9 deg C, respectively(4). A first-order volatilization rate calculated for toluene from water using an inverse reactive simulation was reported as 6.62X10-6/sec(5). The volatilization half-life of toluene from a water column of one meter depth was estimated to be 5.18 hours(6). Toluene was reported to have a disappearance half-life of <2 days due to volatilization in two different soil types, a Captina silt loam and a McLaurin sandy loam(7).
Literature: (1) Mackay D et al; Environ Sci Technol 13: 333-6 (1979) (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) (4) Cheng W-H et al; Atmos Environ 37: 4807-4815 (2003) (5) Keefe SH et al; Environ Sci Technol 38: 2209-2216 (2004) (6) Mackay D, Leinonen PJ; Environ Sci Technol 9: 1178-80 (1975) (7) Anderson TA et al; J Environ Qual 20:420-4 (1991)

Soil Adsorption

The Koc of toluene was reported as 178 in a sandy soil(1) and as 37 (Wendover silty loam), 160 (Grimsby silt loam), 160 (Vaudreil sandy loam) and 46 (sandy soil)(2). The Koc of toluene in lake sediment was measured as 166(3). According to a classification scheme(4), these measured Koc values suggest that toluene is expected to have high to moderate mobility in soil.
Literature: (1) Wilson JT et al; J Environ Qual 10: 501-6 (1981) (2) Nathwani JS, Phillips CR; Chemosphere 6: 157-62 (1977) (3) Kan AT et al; Environ Sci Technol 32: 892-902 (1998) (4) Swann RL et al; Res Rev 85: 17-28 (1983)
Literature: #In association with clay minerals, toluene's adsorption is inversely proportional to the pH of the soil. Approximately 40-70% of toluene applied to the surface of sandy soils is volatilized.
Literature: IARC. Monographs on the Evaluation of the Carcinogenic Risk of Chemicals to Humans. Geneva: World Health Organization, International Agency for Research on Cancer, 1972-PRESENT. (Multivolume work). Available at: http://monographs.iarc.fr/ENG/Classification/index.php, p. V47: 90 (1989)

Vapor Pressure

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

MS-Links

MS-MS Spectrum 86467

MS-MS Spectrum 86466

MS-MS Spectrum 86468

MS-MS Spectrum 148771

MS-MS Spectrum 148770

MS-MS Spectrum 148772

1D-NMR-Links

1D NMR Spectrum 2126 - JEOL 90 MHz 1H NMR

1D NMR Spectrum 3445 - Varian 25.16 MHz 13C NMR

Microorganisms emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Fungi	Antrodia Cinnamomea ATCC 200183	na	na	Lu et al., 2014
Fungi	Tuber Aestivum	n/a	Agricultural Centre of Castilla and LeÃƒÂ³n Community (Monasterio de la Santa Espina, Valladolid, Spain) and Navaleno (Soria, Spain).	Diaz et al., 2003
Bacteria	Burkholderia Sp. AD24	bacterial interations	rhizosphere and bulk soil of Carex arenaria	Tyc et al. 2017
Bacteria	Burkholderia Tropica MTo431	n/a		Tenorio-Salgado et al., 2013
Bacteria	Carnobacterium Divergens 9P	n/a		Ercolini et al., 2009
Bacteria	Paenibacillus Sp. AD87	bacterial interations	rhizosphere and bulk soil of Carex arenaria	Tyc et al. 2017
Bacteria	Pseudomonas Fragi 25P	n/a		Ercolini et al., 2009
Bacteria	Serratia Proteamaculans 42M	n/a		Ercolini et al., 2009
Fungi	Tuber Aestivum	n/a	Fortywoodland of the Basilicata region	Mauriello et al., 2004
Fungi	Tuber Borchii	n/a	Fortywoodland of the Basilicata region	Mauriello et al., 2004
Fungi	Tuber Brumale	n/a	Fortywoodland of the Basilicata region	Mauriello et al., 2004
Fungi	Tuber Excavatum	n/a	Fortywoodland of the Basilicata region	Mauriello et al., 2004

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Fungi	Antrodia Cinnamomea ATCC 200183	PDA	GC/MS	Yes
Fungi	Tuber Aestivum	n/a	Headspace solid-phase microextraction (HS-SPME) combined with GC-MS
Bacteria	Burkholderia Sp. AD24	TSBA	GC-Q-TOF	no
Bacteria	Burkholderia Tropica MTo431	Potato dextrose agar	Headspace trapping/ GC-MS
Bacteria	Carnobacterium Divergens 9P	n/a	n/a
Bacteria	Paenibacillus Sp. AD87	TSBA	GC-Q-TOF	no
Bacteria	Pseudomonas Fragi 25P	n/a	n/a
Bacteria	Serratia Proteamaculans 42M	n/a	n/a
Fungi	Tuber Aestivum	n/a	microextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)
Fungi	Tuber Borchii	n/a	microextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)
Fungi	Tuber Brumale	n/a	microextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)
Fungi	Tuber Excavatum	n/a	microextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)

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)

Microorganism:

Yes

IUPAC name

2-methylpropan-1-ol

SMILES

CC(C)CO

Inchi

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

Formula

(CH₃)₂CHCH₂OH

PubChem ID

6560

Molweight

74.123

LogP

0.73

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

Alcohols

mVOC Specific Details

Volatilization

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

Soil Adsorption

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

Vapor Pressure

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

MS-Links

1D-NMR-Links

Microorganisms emitting the compound

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

Method

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

Propan-2-ol

Mass-Spectra

Compound Details

Synonymous names

Dimethylcarbinol

Germstaroriginal

isopropylalcohol

Isopropylalkohol

Recovered Isopropanol

Agropharma Isopropyl Alcohol

Alcool isopropilico

Alcool isopropylique

isopropanol

Isopropenol

Isopropyl Alcohol Antiseptic

Isopropyl Alcohol Antiseptic Germicide

Isopropyl Alcohol Swabsticks

Medichoice Alcohol Swabstick

Takineocol

Wintergreen Isopropyl Alcohol

Alcohol Swabstick

Alcohol Swabsticks Singles

Alcosolve

Alkolave

Aplicare Isopropyl Alcohol

Avantine

Divas Wintergreen

Germstar Original Unscented

Goodsense Alcohol

Hartosol

Incontrol Alcohol

iso-propylalcohol

Iso-propylalkohol

Isopropryl alcohol

isopropyl

Isopropyl alcohol

Isopropyl Alcohol Swabstick Sterile

Isopropyl Alcohol Towelette

Isopropyl-alcohol

KFZMGEQAYNKOFK-UHFFFAOYSA-N

Medimaxx

Petrohol

Spectrar

Sterisol hand disinfectant

Acetone Alcohol Swabsticks Singles

acetone isopropyl alcohol

Alcohol Sterile

Alcojel

Alcolo

Antiseptic Swab

Avantin

Comfort

Freshnails The Undernail Sanitizer

Healthcare Plus

i-propylalcohol

i-Propylalkohol

Isohol

Isopropyl Alcohol With Wintergreen

Isopropyl Rubbing Alcohol

Isopropyl Rubbing Alcohol With Wintergreen

Lavaco

Lavacol

Lutosol

Medline Alcohol Swabstick Triples

Propol

Rubbing alcohol

Sterile Alcohol

Sunmark Isopropyl Rubbing Alcohol

Tinted Isopropyl Alcohol

Virahol

Walgreen Alcohol

2propanol

Alcohol Hand Sanitizer Problend

Alcool Isopropylique A Friction

Allure Isopropyl Rubbing Alcohol

Allure Isopropyl Rubbing Alcohol With Wintergreen

Curad Isopropyl Alcohol

Divas

Family Wellness Sterile Alcohol

Handy Solutions Rubbing Alcohol

iPrOH

Iris

Isopropanol ACS reagent

Isopropanol or isopropyl alcohol

Isopropyl Alcohol Sepp

Isopropyl Alcohol Surgical Scrub

Isopropyl Alcohol Swabs

Jianze Alcohol

Medichoice Antiseptic Isopropyl Alcohol Prep Pads

Paraid Alcohol

Procutane Gel

Publix Alcohol

Starcap Medical Private Limited

Wearable Dispenser Cartridge Scs

2-Hydroxypropane

Alcohol Hand Problend

Alcohol Pad

Alcohol Prep

Alcohol Rub

Alcohol Wipe

Arquad DMCB

Assured Alcohol Cleansing Pad

Cardinalhealth Alcohol Prep Pads Large

Cardinalhealth Alcohol Prep Pads Medium

Combi-schutz

Coralite Alcohol Pads

Easytouch Alcohol Prep Pads Nonsterile

Friction Rub

IOH

ISO-PROPANOL

Isopropyl Winter Green Rubbing Alcohol

Leader Isopropyl Alcohol Wipes

Lens Cleaner

Medpride With Wintergreen Oil

Seatex Hand Sanitizer

sec-Propanol

Shopko Alcohol Swabs

Touchland Refeel Kub Cartridge

1-Methylethanol

2-propylalcohol

Alcohol Cotton Ball

Alcohol Extra-thick

Alcohol Swab Sticks

Alko Isol

Amsure Alcohol Prep

Certus Alcohol Prep

Full Care Alcohol Swabsticks

Good Care Isopropyl Alcohol

Good Neighbor Pharmacy Alcohol Antiseptic Skin Cleanser

Good Neighbor Pharmacy Isopropyl Alcohol Wipes

i-Propanol

Iso-propyl alcohol

Isopropyl Alcohol

Isopropyl Alcohol Prep Swab

Isopropyl Rubbing Alcohol With Wintergreen Oil

Medline Alcohol Prep Medium

Mk Alcohol Swabstick Sterile

North Alcohol Wipe

Oido Sana

Rexall Alcohol Prep

Royal Alcohol Cleansing Pads

sec-Propyl alcohol

Touchland Kub2go Hand Sanitizer Strawberry

Western Family Alcohol Swabs

1-Methylethyl alcohol

AC1L1GOQ

AC1Q1QDY

Alcohol Prep Pads

Auro-dri

Bay Rum Constanza

Cal Stat

Caretouch Alcohol Prep Pad

Cvs Alcohol Prep

Dermorapid: Colourless and Coloured

Dupont Relyon Antiseptic Hand Wipes

Easytouch Alcohol Prep Pads Sterile

i-Propyl alcohol

Imsol A

Isopro First Aid

Isopropyl Alcohol Prep Pad

Isopropyl Alcohol Prep Pad Sterile

Isopropyl Alcohol Reagent Grade ACS

Isopropyl alcohol, rubbing

Mckesson Alcohol Prep Pad

Medpride Sterile Prep Pads

Pharmacist Choice Alcohol Prep Pad

Protector Alcohol Prep Pad

Smart Sense Isopropyl Alcohol Wipes

Sterile Alcohol Prep Pads

Swim-ear

Touchland Kub2go Hand Sanitizer Lavender

Touchland Kub2go Hand Sanitizer Neutral

Touchland Kub2go Hand Sanitizer Vanilla

2-Propanol

Acetone Alcohol Prep Pads Medium

Alcohol Prep Pad Medium

Alcohol Prep Pads Lightweight Non-sterile

Alcosolve 2

First Aid Only Isopropyl Alcohol

Green Guard Sterile Alcohol Pads

Hyvee Alcohol Prep Pads

i-PrOH

Iso-blu Alcohol

Isopropanol (Recovered)

Isopropanol 99%

Isopropyl Alcohol 50 Percent Wintergreen Readyincase

Isopropyl Alcohol 70 Percent Wintergreen Readyincase

Pharmacist Choice Alcohol Sterile Prep Pad

propan-2ol

propane-2ol

propanol-2

Sanitizer - Assainissant

Touchland Kub2go Hand Sanitizer Citrus

2-Propanol, Spectrophotometric Grade

Cal Stat Plus Antiseptic Handrub With Enhanced Emollients

CHEMBL582

Curad Alcohol Prep Pads Medium

Dukal Alcohol Prep Pad

Dukal Sterile Alcohol Prep Pad

Gauke Alcohol Prep Pad

Good Care Alcohol Pad

Isopropyl Alcohol 50 Percent Readyincase

Isopropyl Alcohol 70 Percent Readyincase

Isopropyl Alcohol 70 Percent Wintergreen

Isopropyl Alcohol 91 Percent Readyincase

ISOPROPYL ALCOHOL, ACS

Isopropyl Rubbing Alcohol Lil Drug Store Products

Jianze Alcohol Prep Pad Medium

Labsco Sterile Alcohol Prep Pad

Medi-first Sterile Alcohol Pads

Omnis Health Alcohol Prep Pads

Sure Comfort Alcohol Prep Pads

Touchland Kub2go Hand Sanitizer Mint

2-Propyl alcohol

50% Rubbing

70% Isopropyl Rubbing Alcohol

70% Rubbing

Alcool isopropilico [Italian]

Alcool isopropylique [French]

Curad Alcohol Sterile, Large

Curad Alcohol Sterile, Thick

Isopropyl Alcohol 99%

Isopropyl Alcohol C+

Isopropyl Rubbing Alcohol 50 Percent Wintergreen

Isopropyl Rubbing Alcohol 50%

Isopropyl Rubbing Alcohol 70 Percent Wintergreen

Isopropyl Rubbing Alcohol 70%

Isopropyl Rubbing Compound 70%

Jianze Alcohol Prep Pad Large

Moore Brand Alcohol Prep Pads

Rubbing Compound 70%

School Health Sterile Alcohol Prep Pad

2-Propanol, analytical standard

2-PROPANOL, ISOPROPANOL

91 Percent Isopropyl Alcohol

ACMC-1BI1R

Coghlans Survival In A Can

Full Care Alcohol Prep Pad

Hs-E3

IPS 1

iso-C3H7OH

Iso-propylalkohol [German]

Isopropyl Alcohol 50 Percent

Isopropyl Alcohol 70 Percent

Isopropyl Alcohol 91 Percent

Isopropyl alcohol, EuropePharmacopoeia (EP) Reference Standard

Isopropyl Rubbing Alcohol 50 Percent

Isopropyl Rubbing Alcohol 50% With Wintergreen

Isopropyl Rubbing Alcohol 70

Isopropyl Rubbing Alcohol 70 Percent

Isopropyl Rubbing Alcohol 70% With Wintergreen

Isopropyl Rubbing Alcohol 90

Isopropyl Rubbing Alcohol 91 Percent

Medi-first Plus Sterile Alcohol Pads

Medline Alcohol Prep Sterile, Large

Medline Alcohol Prep Sterile, Medium

Mk Alcohol Prep Pads Large

Mk Alcohol Prep Pads Medium

Rubbing Alcohol 70 Percent Isopropyl

Rubbing Alcohol 70%

Rubbing Alcohol 91 Percent Isopropyl

Touchland Kub2go Hand Sanitizer Aloe Vera

Up and Up Alcohol

2 -propanol

2- propanol

2-Propanol, anhydrous

Alcool Isopropylique A Friction Rouge 70%usp

Alpet E3 Hand Sanitizer Spray

Biopropyl Liq 70%

Caring Alcohol Non-sterile, Medium

Curad Alcohol Non-sterile, Medium

Cut Care Alcohol Prep Pad

Dignity Health Hand Sanitizer Cal Stat Plus Antiseptic Handrub With Enhanced Emollients

Global Easy Prep Alcohol Prep Pads

Humco Isopropyl Rubbing Alcohol 70%

Humco Isopropyl Rubbing Alcohol 70% Professional Pack

i-Propylalkohol [German]

Isopropyl alcohol (manufacture strong-acid process)

Isopropyl alcohol [USAN]

Isopropyl Alcohol 99% USP

Isopropyl Alcohol Liq 99%

KSC353M9P

Maxim 50% Isopropyl Rubbing Alcohol

Maxim 50% Isopropyl Rubbing Alcohol With Wintergreen

Maxim 70% Isopropyl Rubbing Alcohol

Maxim 70% Isopropyl Rubbing Alcohol With Wintergreen

Propan-2-ol

propane-2-ol

Rubbing Alcohol 50 Percent

Rubbing Alcohol 50 Percent With Wintergreen

Rubbing Alcohol 70 Percent

Rubbing Alcohol 70 Percent With Wintergreen

1-Hydroxy-1-methylethyl

Alcojel Gel 70%

Alpet E-3

Amg-50

Curad Alcohol Non-sterile, Large

Dop Isopropyl Rubbing Alcohol 70%

Ear Dry Drops Well At Walgreens

Isopropyl Alcohol - GMP

Isopropyl alcohol (manufacturing-strong acid process only)

Isopropyl alcohol (USP)

Isopropyl Rubbing Alcohol 50% With Wintergreen and Glycerin

Isopropyl Rubbing Alcohol Liq 70%

Medline Alcohol Prep Non-sterile, Medium

Preferred Plus Pharmacy 70% Isopropyl Alcohol Wipes

UN1219

2-Propanol, meets USP testing specifications

70% Isopropyl Alcohol Well At Walgreens

A 50% Isopropyl Rubbing Alcohol

BDBM36154

CTK2F3697

Curad Alcohol Non-sterile, Extra Thick

HMDB00863

HSDB 116

I0163

I0164

I0277

Isopro (TN)

Medline Alcohol Prep Non-sterile, Large

More Savings 50 Percent Isopropyl Rubbing Alcohol With Wintergreen

More Savings Rubbing Alcohol 50 Percent

Super Rub 70%

Viraguard! With Virahol (gel)

2-Propanol, ACS reagent

Alcohol Prep Pads - Sterile

DB02325

Freeman Packing Hand Sanitizer 004

Hibistat (Salt/Mix)

i-Propanol [German]

Medline Alcohol Prep Non-sterile, Extra Large

Medline Alcohol Prep Non-sterile, Thick/medium

RL04582

WLN: QY1&1

Zep Alpet E-3 Sanitizer

2-Propanol, HPLC Grade

Alcohol Prep Pad - Medium

C01845

CCRIS 2308

D00137

DSSTox_CID_762

I.V. Prep Antiseptic Wipe

Iso Blu 50 Percent

Isopropanol (JP17)

Isopropyl Rubbing Nf 70%v/v

LTBB002057

n-Propan-2-ol

Smart Sense 70% Isopropyl Rubbing Alcohol First Aid Antiseptic

Visco 1152

ZINC901159

2-Propanol, for HPLC

2-Propanol, GC Grade

Alcohol Prep Pad - Large

Carefine Alcohol Swabs 100 Ct

Carefine Alcohol Swabs 200 Ct

DTXSID7020762

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

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

Ecocare 350 Hand Sanitizer With Skin Conditioner

FEMA Number 2929

Isopropyl Rubbing Alcohol 70% V/v

LS-1565

NSC135801

OR034205

OR098238

OR111345

OR333756

OR336061

OR343005

Propane, 2-hydroxy-

UN 1219

2-Propanol, Ph Eur

2-Propanol, pharmaceutical secondary standard; traceable to USP

300128X

Alcohol Prep Pads - Non Sterile

Arc 42 Essential First Aid Items

CHEBI:17824

Gfa 42 Essential First Aid Items

Isopropanol, 99.5% anhydrous

PROPYL, 2-HYDROXY-

Run Kang Alcohol Pads - Medium

AN-41893

ANW-35384

DSSTox_GSID_20762

ND2M416302

Caswell No. 507

DSSTox_RID_75777

Isopropanol, 70% in H2O

MFCD00011674

ZINC00901159

AI3-01636

ISOPROPYL ALCOHOL, U.S.P.

NSC 135801

NSC-135801

RTR-022706

TR-022706

UNII-ND2M416302

2-Propanol, United States Pharmacopeia (USP) Reference Standard

AKOS000121012

Isopropyl alcohol, meets EP, BP, USP testing specifications

J-510285

2-Propanol, histological grade, 99%

BRN 0635639

FEMA No. 2929

N.A.S.99 Nail Antiseptic Spray

67-63-0

Alcohol Prep F400 70% Liq

I14-19476

Isopropyl alcohol, natural, >=98%, FG

2-Propanol, technical grade, 95%

Ethyl, 1-hydroxy-1-methyl-

Tox21_111039

Tox21_202475

2-Propanol, 99.5%

2-Propanol, LR, >=99%

CAS-67-63-0

ETHYL, 1-METHYL-1-OXY-

One Time Swab Sticks 70% F468

2-Propanol, >72% in a non hazardous diluent

2-Propanol, ACS spectrophotometric grade, >=99.5%

2-Propanol, Laboratory Reagent, >=99.5%

8013-70-5

MCULE-6646752234

NCGC00090917-01

NCGC00260024-01

2-Propanol, anhydrous, 99.5%

EINECS 200-661-7

2-Propanol, >=99.7%, suitable for absorption spectrum analysis

Isopropyl alcohol (only persons who manufacture by the strong acid process are subject, supplier notification not required)

140-EP2269975A2

140-EP2269977A2

140-EP2269989A1

140-EP2269993A1

140-EP2269994A1

140-EP2269997A2

140-EP2270000A1

140-EP2270003A1

140-EP2270008A1

140-EP2270009A1

140-EP2270011A1

140-EP2270012A1

140-EP2270013A1

140-EP2270014A1

140-EP2270113A1

140-EP2272516A2

140-EP2272517A1

140-EP2272537A2

140-EP2272813A2

140-EP2272826A1

140-EP2272827A1

140-EP2272830A1

140-EP2272832A1

140-EP2272837A1

140-EP2272839A1

140-EP2272840A1

140-EP2272841A1

140-EP2272849A1

140-EP2272935A1

140-EP2274983A1

140-EP2275398A1

140-EP2275401A1

140-EP2275404A1

140-EP2275410A1

140-EP2275415A2

140-EP2275419A2

140-EP2275423A1

140-EP2275424A1

140-EP2275425A1

140-EP2275427A1

140-EP2275469A1

140-EP2277507A1

140-EP2277848A1

140-EP2277865A1

140-EP2277866A1

140-EP2277867A2

140-EP2277868A1

140-EP2277869A1

140-EP2277870A1

140-EP2277875A2

140-EP2277876A1

140-EP2277877A1

140-EP2277878A1

140-EP2277881A1

140-EP2280003A2

140-EP2280005A1

140-EP2280006A1

140-EP2280007A1

140-EP2280014A2

140-EP2281559A1

140-EP2281817A1

140-EP2281818A1

140-EP2281821A1

140-EP2281824A1

140-EP2281899A2

140-EP2283811A1

140-EP2284158A1

140-EP2284165A1

140-EP2284166A1

140-EP2284167A2

140-EP2284168A2

140-EP2284169A1

140-EP2284170A1

140-EP2284174A1

140-EP2284178A2

140-EP2284179A2

140-EP2286795A1

140-EP2286811A1

140-EP2286812A1

140-EP2286915A2

140-EP2287152A2

140-EP2287153A1

140-EP2287154A1

140-EP2287155A1

140-EP2287158A1

140-EP2287161A1

140-EP2287162A1

140-EP2287165A2

140-EP2287166A2

140-EP2287167A1

140-EP2287168A2

140-EP2287940A1

140-EP2289509A2

140-EP2289868A1

140-EP2289879A1

140-EP2289881A1

140-EP2289884A1

140-EP2289885A1

140-EP2289890A1

140-EP2289892A1

140-EP2289897A1

140-EP2289965A1

140-EP2292222A1

140-EP2292233A2

140-EP2292234A1

140-EP2292593A2

140-EP2292597A1

140-EP2292609A1

140-EP2292612A2

140-EP2292613A1

140-EP2292614A1

140-EP2292617A1

140-EP2292620A2

140-EP2292621A1

140-EP2292622A1

140-EP2292625A1

140-EP2292628A2

140-EP2295055A2

140-EP2295401A2

140-EP2295402A2

140-EP2295406A1

140-EP2295411A1

140-EP2295415A1

140-EP2295417A1

140-EP2295422A2

140-EP2295423A1

140-EP2295424A1

140-EP2295426A1

140-EP2295427A1

140-EP2295429A1

140-EP2295432A1

140-EP2295435A1

140-EP2295436A1

140-EP2295437A1

140-EP2298305A1

140-EP2298313A1

140-EP2298729A1

140-EP2298732A1

140-EP2298735A1

140-EP2298742A1

140-EP2298746A1

140-EP2298747A1

140-EP2298749A1

140-EP2298752A1

140-EP2298755A1

140-EP2298760A1

140-EP2298761A1

140-EP2298763A1

140-EP2298767A1

140-EP2298768A1

140-EP2298769A1

140-EP2298770A1

140-EP2298773A1

140-EP2298775A1

140-EP2298776A1

140-EP2298778A1

140-EP2298828A1

140-EP2299785A1

140-EP2301627A1

140-EP2301912A2

140-EP2301913A1

140-EP2301914A1

140-EP2301916A2

140-EP2301925A1

140-EP2301931A1

140-EP2301934A1

140-EP2301940A1

140-EP2301983A1

140-EP2302003A1

140-EP2305033A1

140-EP2305625A1

140-EP2305629A1

140-EP2305633A1

140-EP2305641A1

140-EP2305643A1

140-EP2305647A1

140-EP2305649A1

140-EP2305651A1

140-EP2305658A1

140-EP2305660A1

140-EP2305662A1

140-EP2305663A1

140-EP2305666A1

140-EP2305668A1

140-EP2305670A1

140-EP2305671A1

140-EP2305679A1

140-EP2305681A1

140-EP2305682A1

140-EP2305683A1

140-EP2305684A1

140-EP2305687A1

140-EP2305688A1

140-EP2305695A2

140-EP2305696A2

140-EP2305697A2

140-EP2305698A2

140-EP2305825A1

140-EP2306788A1

140-EP2306789A1

140-EP2308471A1

140-EP2308492A1

140-EP2308562A2

140-EP2308812A2

140-EP2308828A2

140-EP2308839A1

140-EP2308849A1

140-EP2308850A1

140-EP2308851A1

140-EP2308854A1

140-EP2308855A1

140-EP2308857A1

140-EP2308867A2

140-EP2308869A1

140-EP2308870A2

140-EP2308873A1

140-EP2308877A1

140-EP2308878A2

140-EP2308879A1

140-EP2308926A1

140-EP2309564A1

140-EP2311453A1

140-EP2311464A1

140-EP2311494A1

140-EP2311796A1

140-EP2311797A1

140-EP2311798A1

140-EP2311799A1

140-EP2311801A1

140-EP2311802A1

140-EP2311803A1

140-EP2311806A2

140-EP2311808A1

140-EP2311811A1

140-EP2311812A1

140-EP2311813A1

140-EP2311814A1

140-EP2311815A1

140-EP2311820A1

140-EP2311821A1

140-EP2311823A1

140-EP2311824A1

140-EP2311825A1

140-EP2311829A1

140-EP2311830A1

140-EP2311831A1

140-EP2311832A1

140-EP2311833A1

140-EP2311838A1

140-EP2311839A1

140-EP2311842A2

140-EP2314558A1

140-EP2314576A1

140-EP2314577A1

140-EP2314578A1

140-EP2314585A1

140-EP2314587A1

140-EP2314589A1

140-EP2314591A1

140-EP2316837A1

140-EP2371808A1

140-EP2371814A1

140-EP2372017A1

140-EP2374454A1

140-EP2374790A1

140-EP2374791A1

140-EP2380874A2

141-EP2269977A2

141-EP2269989A1

141-EP2270007A1

141-EP2270017A1

141-EP2270113A1

141-EP2270114A1

141-EP2272537A2

141-EP2272848A1

141-EP2272849A1

141-EP2272935A1

141-EP2272972A1

141-EP2272973A1

141-EP2274983A1

141-EP2275409A1

141-EP2275411A2

141-EP2275469A1

141-EP2277565A2

141-EP2277566A2

141-EP2277567A1

141-EP2277568A2

141-EP2277569A2

141-EP2277570A2

141-EP2277866A1

141-EP2277867A2

141-EP2277872A1

141-EP2277879A1

141-EP2277945A1

141-EP2280003A2

141-EP2280010A2

141-EP2280014A2

141-EP2284159A1

141-EP2284160A1

141-EP2284165A1

141-EP2284167A2

141-EP2284168A2

141-EP2284169A1

141-EP2286811A1

141-EP2287152A2

141-EP2287161A1

141-EP2287162A1

141-EP2287165A2

141-EP2287166A2

141-EP2287168A2

141-EP2289877A1

141-EP2289890A1

141-EP2289892A1

141-EP2292227A2

141-EP2292280A1

141-EP2292590A2

141-EP2292601A1

141-EP2292602A1

141-EP2292603A1

141-EP2292606A1

141-EP2292612A2

141-EP2292618A1

141-EP2292619A1

141-EP2292620A2

141-EP2292622A1

141-EP2293650A1

141-EP2295402A2

141-EP2295409A1

141-EP2295415A1

141-EP2295417A1

141-EP2295421A1

141-EP2295430A2

141-EP2295431A2

141-EP2295437A1

141-EP2298734A2

141-EP2298735A1

141-EP2298737A1

141-EP2298739A1

141-EP2298740A1

141-EP2298741A1

141-EP2298747A1

141-EP2298750A1

141-EP2298758A1

141-EP2298759A1

141-EP2298767A1

141-EP2298768A1

141-EP2298770A1

141-EP2298771A2

141-EP2298774A1

141-EP2298775A1

141-EP2298778A1

141-EP2298828A1

141-EP2299509A1

141-EP2299510A1

141-EP2301534A1

141-EP2301920A1

141-EP2301921A1

141-EP2301926A1

141-EP2301929A1

141-EP2301935A1

141-EP2301936A1

141-EP2301941A1

141-EP2305219A1

141-EP2305243A1

141-EP2305644A1

141-EP2305649A1

141-EP2305652A2

141-EP2305664A1

141-EP2305667A2

141-EP2305668A1

141-EP2305670A1

141-EP2305672A1

141-EP2305674A1

141-EP2305680A2

141-EP2305682A1

141-EP2305683A1

141-EP2305684A1

141-EP2305769A2

141-EP2308562A2

141-EP2308812A2

141-EP2308843A1

141-EP2308857A1

141-EP2308858A1

141-EP2308861A1

141-EP2308867A2

141-EP2308870A2

141-EP2308872A1

141-EP2308873A1

141-EP2308875A1

141-EP2308879A1

141-EP2309584A1

141-EP2311451A1

141-EP2311815A1

141-EP2311816A1

141-EP2311817A1

141-EP2311824A1

141-EP2311826A2

141-EP2311831A1

141-EP2311837A1

141-EP2311839A1

141-EP2311840A1

141-EP2314558A1

141-EP2314587A1

141-EP2314589A1

141-EP2316450A1

141-EP2316470A2

141-EP2316828A1

141-EP2316829A1

141-EP2316831A1

141-EP2316834A1

141-EP2316835A1

141-EP2316836A1

141-EP2316837A1

141-EP2316905A1

141-EP2316906A2

141-EP2371810A1

141-EP2371812A1

141-EP2372017A1

141-EP2372804A1

141-EP2374454A1

141-EP2374526A1

141-EP2374783A1

141-EP2378585A1

Isopropanol or isopropyl alcohol [UN1219] [Flammable liquid]

SR-01000944474

2-Propanol, ACS reagent, >=99.5%

2-Propanol, AR, >=99.5%

2-Propanol, USP, 99.0%

Isopropyl alcohol, >=99.7%, FCC, FG

2-Propanol, 99.5%, HPLC grade

2-Propanol, for HPLC, >=99.8%

2-Propanol, JIS special grade, >=99.5%

5051-EP2269975A2

5051-EP2269977A2

5051-EP2269986A1

5051-EP2269997A2

5051-EP2269999A1

5051-EP2270008A1

5051-EP2270015A1

5051-EP2272817A1

5051-EP2272825A2

5051-EP2272829A2

5051-EP2272835A1

5051-EP2272844A1

5051-EP2274983A1

5051-EP2275403A1

5051-EP2275411A2

5051-EP2275413A1

5051-EP2275414A1

5051-EP2275415A2

5051-EP2275423A1

5051-EP2277858A1

5051-EP2277871A1

5051-EP2280001A1

5051-EP2281821A1

5051-EP2284148A1

5051-EP2284157A1

5051-EP2284167A2

5051-EP2284168A2

5051-EP2284169A1

5051-EP2286811A1

5051-EP2287153A1

5051-EP2287155A1

5051-EP2287156A1

5051-EP2287161A1

5051-EP2287162A1

5051-EP2289509A2

5051-EP2289510A1

5051-EP2289879A1

5051-EP2289890A1

5051-EP2289894A2

5051-EP2292589A1

5051-EP2292592A1

5051-EP2292607A2

5051-EP2292617A1

5051-EP2295401A2

5051-EP2295406A1

5051-EP2295409A1

5051-EP2295414A1

5051-EP2295423A1

5051-EP2295437A1

5051-EP2298735A1

5051-EP2298747A1

5051-EP2298753A1

5051-EP2298755A1

5051-EP2298761A1

5051-EP2298763A1

5051-EP2298768A1

5051-EP2298770A1

5051-EP2298772A1

5051-EP2298775A1

5051-EP2301544A1

5051-EP2301627A1

5051-EP2301911A1

5051-EP2301919A1

5051-EP2305254A1

5051-EP2305625A1

5051-EP2305642A2

5051-EP2305647A1

5051-EP2305655A2

5051-EP2305662A1

5051-EP2305667A2

5051-EP2305671A1

5051-EP2305672A1

5051-EP2305676A1

5051-EP2305682A1

5051-EP2305684A1

5051-EP2305687A1

5051-EP2305769A2

5051-EP2305808A1

5051-EP2308492A1

5051-EP2308838A1

5051-EP2308839A1

5051-EP2308857A1

5051-EP2308864A1

5051-EP2308866A1

5051-EP2308877A1

5051-EP2308879A1

5051-EP2311805A1

5051-EP2311807A1

5051-EP2311830A1

5051-EP2314581A1

5051-EP2314586A1

5051-EP2314591A1

5051-EP2316827A1

5051-EP2371805A1

5051-EP2371811A2

5051-EP2374783A1

5051-EP2377841A1

5051-EP2377848A1

5051-EP2380568A1

MolPort-000-871-957

2-Propanol, 99.9%, PRA grade

2-Propanol, for HPLC, 99.5%

2-Propanol, for HPLC, 99.9%

2-Propanol, for molecular biology, BioReagent, >=99.5%

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

11948-EP2270006A1

11948-EP2270011A1

11948-EP2272537A2

11948-EP2275423A1

11948-EP2277866A1

11948-EP2280014A2

11948-EP2281559A1

11948-EP2284148A1

11948-EP2284174A1

11948-EP2287168A2

11948-EP2289509A2

11948-EP2292590A2

11948-EP2292612A2

11948-EP2292622A1

11948-EP2292628A2

11948-EP2295401A2

11948-EP2295409A1

11948-EP2298729A1

11948-EP2298734A2

11948-EP2301534A1

11948-EP2301939A1

11948-EP2305250A1

11948-EP2305652A2

11948-EP2305663A1

11948-EP2305667A2

11948-EP2305682A1

11948-EP2305695A2

11948-EP2305696A2

11948-EP2305697A2

11948-EP2305698A2

11948-EP2308812A2

11948-EP2308873A1

11948-EP2308879A1

11948-EP2311451A1

11948-EP2311824A1

11948-EP2311831A1

11948-EP2316450A1

2-Propanol, UV HPLC gradient, 99.8%

32837-EP2284167A2

32837-EP2284168A2

32837-EP2295411A1

32837-EP2301933A1

32837-EP2308812A2

32837-EP2308855A1

32837-EP2311820A1

32837-EP2311827A1

32837-EP2311850A1

40330-EP2269977A2

40330-EP2269979A1

40330-EP2270003A1

40330-EP2289881A1

40330-EP2289886A1

40330-EP2292222A1

40330-EP2295402A2

40330-EP2295423A1

40330-EP2298761A1

40330-EP2301544A1

40330-EP2305682A1

40330-EP2305684A1

40330-EP2305687A1

40330-EP2308848A1

40330-EP2308867A2

40330-EP2308870A2

40330-EP2308879A1

40330-EP2311830A1

40330-EP2371805A1

40330-EP2380871A1

45166-EP2272813A2

45166-EP2272849A1

45166-EP2289509A2

45166-EP2289879A1

45166-EP2292593A2

45166-EP2292616A1

45166-EP2292619A1

45166-EP2292622A1

45166-EP2298773A1

45166-EP2305250A1

45166-EP2305659A1

45166-EP2311821A1

45166-EP2380873A1

45166-EP2380874A2

51765-EP2270114A1

51765-EP2277866A1

51765-EP2292628A2

51765-EP2308510A1

51765-EP2308867A2

51765-EP2308870A2

51765-EP2311824A1

97840-EP2269992A1

97840-EP2289885A1

97840-EP2289896A1

97840-EP2292608A1

97840-EP2298749A1

97840-EP2305685A1

97840-EP2305686A1

97840-EP2380874A2

Isopropanol or isopropyl alcohol [UN1219] [Flammable liquid]

Oi+/-u>>u (1/4)

Oi+/-u (1/4)

OU+/-u (1/4)

SR-01000944474-1

2-Propanol, electronic grade, 99.999% trace metals basis

2-Propanol, semiconductor grade PURANAL(TM) (Honeywell 17829)

2-Propanol, anhydrous, 99.5% 250ml

2-Propanol, semiconductor grade SLSI PURANAL(TM) (Honeywell 17030)

2-Propanol, semiconductor grade ULSI PURANAL(TM) (Honeywell 17022)

2-Propanol, semiconductor grade VLSI PURANAL(TM) (Honeywell 17604)

2-Propanol, semiconductor grade MOS PURANAL(TM) (Honeywell 17930)

2-Propanol, Vetec(TM) reagent grade, anhydrous, >=99.5%

2-+/-u (1/4)

2-Propanol, >10 - 50% in a non hazardous diluent

2-Propanol, >50 - 72% in a non hazardous diluent

2-Propanol, reag. ISO, UV HPLC spectroscopic, 99.7%

4-01-00-01461 (Beilstein Handbook Reference)

2-Propanol, BioUltra, for molecular biology, >=99.5% (GC)

2-Propanol, >=99.7%, for residue analysis, suitable for 1000 per JIS

2-Propanol, HPLC Plus, for HPLC, GC, and residue analysis, 99.9%

InChI=1/C3H8O/c1-3(2)4/h3-4H,1-2H

2-Propanol, p.a., ACS reagent, reag. ISO, 99.8%

2-Propanol, puriss. p.a., ACS reagent, >=99.8% (GC)

2-Propanol, HPLC Plus, for HPLC, GC, and residue analysis, 99.9%, poly coated bottles

2-Propanol, puriss., meets analytical specification of Ph. Eur., BP, USP, >=99.5% (GC)

2-Propanol, puriss. p.a., ACS reagent, reag. ISO, reag. Ph. Eur., >=99.8% (GC)

Microorganism:

Yes

IUPAC name

propan-2-ol

SMILES

CC(C)O

Inchi

InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3

Formula

C₃H₈O

PubChem ID

3776

Molweight

60.096

LogP

0.25

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

Alcohols

mVOC Specific Details

Volatilization

The Henry's Law constant for isopropanol is 8.10X10-6 atm-cu m/mole at 25 deg C(1). This Henry's Law constant indicates that isopropanol 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 86 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 29 days(SRC). Isopropanol's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). Isopropanol is expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 45.2 mm Hg at 25 deg C(3). The volatilization of isopropanol from a runoff tank of an industrial wastewater treatment facility was measured; the volatilization rate of isopropanol ranged between 0.64-0.69 mg/sq m-min(4). The evaporation rate of a 1:1 isopropanol:water mixture from a shallow pool was 1.5 kg/sq-m per hour at a wind speed of 4.5 m/s and pool temperature of 20 deg C and an ambient air temperature of 22 deg C(5). Laboratory studies demonstrated that isopropanol will volatilize from water to air in the absence of wind(6).
Literature: (1) Taft RW et al; Nature 313: 384-6 (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. Design Inst Phys Prop Data, Amer Inst Chem Eng New York, NY: Hemisphere Pub Corp 5 Vol (1989) (4) Gholson AR et al; Environ Sci Technol 25: 519-24 (1991) (5) WHO; Environmental Health Criteria 103, 2-Propanol. Geneva, Switzerland: WHO International Program on Chemical Safety. pp. 1-77 (1990) (6) Hedden T et al; Haz Waste Haz Mater 7: 223-37 (1990)

Soil Adsorption

Using a structure estimation method based on molecular connectivity indices(1), the Koc of isopropanol can be estimated to be 1.5(SRC). According to a classification scheme(2), this estimated Koc value suggests that isopropanol is expected to have very high mobility in soil.
Literature: (1) Meylan WM et al; Environ Sci Technol 26: 1560-67 (1992) (2) Swann RL et al; Res Rev 85: 17-28 (1983)

Vapor Pressure

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

MS-Links

MS-MS Spectrum 9597

MS-MS Spectrum 16269

MS-MS Spectrum 9596

MS-MS Spectrum 4737 - EI-B (HITACHI M-80B) Positive

MS-MS Spectrum 1219 - Quattro_QQQ 40V Positive delivery=Flow_Injection analyzer=Triple_Quad

MS-MS Spectrum 9598

MS-MS Spectrum 4735 - EI-B (HITACHI RMU-6M) Positive

MS-MS Spectrum 16270

MS-MS Spectrum 1218 - Quattro_QQQ 25V Positive delivery=Flow_Injection analyzer=Triple_Quad

MS-MS Spectrum 4736 - EI-B (JEOL JMS-D-3000) Positive

MS-MS Spectrum 4738 - EI-B (HITACHI RMU-7M) Positive

MS-MS Spectrum 16268

MS-MS Spectrum 1217 - Quattro_QQQ 10V Positive delivery=Flow_Injection analyzer=Triple_Quad

1D-NMR-Links

1D NMR Spectrum 3272 - NEVA 15.09 MHz 13C NMR

1D NMR Spectrum 1573 - Varian 500 MHz 1H NMR

1D NMR Spectrum 2576 - JEOL 90 MHz 1H NMR

Microorganisms emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Bacteria	AMI 386	na	breathing zone of a waste collection worker	Wilkins, 1996
Bacteria	Serratia Spp. B2675	n/a		Bruce et al., 2004
Bacteria	Serratia Spp. B675	n/a		Bruce et al., 2004
Bacteria	Thermoactinomyces Vulgaris DSM 43016	na	soil	Wilkins, 1996
Fungi	Paecilomyces Variotii Bain	na	compost, soils, food products	Sunesson et al., 1995
Fungi	Saccharomyces Cerevisiae Y1001	n/a		Bruce et al., 2004
Fungi	Penicillium Palitans (commune) (IBT 15899)	n/a	obtained from buildings	Wilkins et al., 2000
Fungi	Tuber Brumale	n/a	Ayme Truffe of Grignan, 26230 France	March et al., 2006
Fungi	Tuber Melanosporum	n/a	Ayme Truffe of Grignan, 26230 France	March et al., 2006
Fungi	Tuber Rufum	n/a	Ayme Truffe of Grignan, 26230 France	March et al., 2006

Method

Kingdom	Species	Growth Medium	Applied Method
Bacteria	AMI 386	Nutrient agar CM3 + 50mg/l actidione	GC/MS
Bacteria	Serratia Spp. B2675	n/a	n/a
Bacteria	Serratia Spp. B675	n/a	n/a
Bacteria	Thermoactinomyces Vulgaris DSM 43016	Nutrient agar CM3	GC/MS
Fungi	Paecilomyces Variotii Bain	MEA	GC/MS
Fungi	Saccharomyces Cerevisiae Y1001	n/a	n/a
Fungi	Penicillium Palitans (commune) (IBT 15899)	medium with glutamin	Cultures were grown at 21-23Â°C for 7 days,VOC-analyse by GC/MS
Fungi	Tuber Brumale	n/a	Pressure balanced head-space sampling and GC/TOF-MS
Fungi	Tuber Melanosporum	n/a	Pressure balanced head-space sampling and GC/TOF-MS
Fungi	Tuber Rufum	n/a	Pressure balanced head-space sampling and GC/TOF-MS

2-methylpropanal

Mass-Spectra

Compound Details

Synonymous names

Isopropylformaldehyde

alpha-Methylpropionaldehyde

Isobutylaldehyde

ISOBUTYRALDEHYDE

Isopropylaldehyde

Isobutaldehyde

Isobutyraldehyd

Methylpropanal

Isopropyl formaldehyde

Isobutanal

Isobutyral

Isobutyraldehyde or isobutyl aldehyde

Isobutyraldehyde, analytical standard

Isobutyric aldehyde

Isobutyryl aldehyde

2-Methylpropionaldehyde

AMIMRNSIRUDHCM-UHFFFAOYSA-N

ISO-BUTYRALDEHYDE

isobutyl aldehyde

Isopropyl aldehyde

Methyl propanal

Valine aldehyde

.alpha.-Methylpropionaldehyde

2-Methylpropanal

Butyric iso aldehyde

2-methyl-propionaldehyde

i-butanal

iso-butyl aldehyde

isobutyl aldehy de

AC1L1MSY

AC1Q1OAR

Isobutyraldehyde (natural)

Isobutyraldehyd [Czech]

2-METHYL-PROPANAL

Isobutyraldehyde, >=99%

iso-C3H7CHO

Isobutyraldehyde, 98%

KSC377C6J

ACMC-209pfi

NSC6739

UN2045

CTK2H7164

HSDB 614

I0101

Propionaldehyde, 2-methyl-

V2117

2-Methyl-1-propanal

Isobutyraldehyde, >=98%, FCC

RP18310

WLN: VHY1&1

CCRIS 1101

Isobutyraldehyde, >=98%, FG

Isobutyraldehyde, dry, 98%

LTBB001463

BBL034648

CHEMBL1404017

DTXSID9021635

Isobutyraldehyde, redistilled, >=99.5%

LS-1757

NSC 6739

NSC-6739

OR000143

OR262054

OR277709

OR341617

Propanal, 2-methyl-

STL264210

UN 2045

A839508

CHEBI:48943

DSSTox_CID_1635

NCI-C60968

ZINC1866952

2-methyl-propan-1-one

AN-23962

ANW-37228

BP-20619

C42E28168L

CJ-30639

DSSTox_GSID_21635

KB-52752

SC-23019

DSSTox_RID_76249

MFCD00006980

ZINC01866952

AI3-15311

Isobutyraldehyde, natural, 96%, FG

RTR-025162

TR-025162

UNII-C42E28168L

AKOS000119887

I14-0217

FEMA No. 2220

FT-0627379

Isobutyraldehyde, 98% 500ml

TRA-0184575

78-84-2

Tox21_200024

F2190-0633

CAS-78-84-2

PROPYL, 2-METHYL-1-OXO-

MCULE-3575731904

NCGC00091788-01

NCGC00091788-02

NCGC00257578-01

EINECS 201-149-6

Isobutyraldehyde or isobutyl aldehyde [UN2045] [Flammable liquid]

26140-46-5

ETHYL, 1,1-DIMETHYL-2-OXO-

Isobutyraldehyde or isobutyl aldehyde [UN2045] [Flammable liquid]

MolPort-001-787-562

86316-EP2269978A2

86316-EP2269985A2

86316-EP2269991A2

86316-EP2277848A1

86316-EP2284150A2

86316-EP2284151A2

86316-EP2284152A2

86316-EP2284153A2

86316-EP2284155A2

86316-EP2284156A2

86316-EP2284164A2

86316-EP2286811A1

86316-EP2287140A2

86316-EP2287148A2

86316-EP2287150A2

86316-EP2287159A1

86316-EP2292621A1

86316-EP2295419A2

86316-EP2305637A2

86316-EP2374780A1

86316-EP2374781A1

180059-EP2275412A1

180059-EP2374538A1

InChI=1/C4H8O/c1-4(2)3-5/h3-4H,1-2H

Microorganism:

Yes

IUPAC name

2-methylpropanal

SMILES

CC(C)C=O

Inchi

InChI=1S/C4H8O/c1-4(2)3-5/h3-4H,1-2H3

Formula

C₄H₈O

PubChem ID

6561

Molweight

72.107

LogP

0.86

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

Aldehydes Aldehyde

mVOC Specific Details

Volatilization

The Henry's Law constant for isobutyraldehyde is estimated as 1.8X10-4 atm-cu m/mole(SRC) based upon its vapor pressure, 173 mm Hg(1), and water solubility, 8.9X10+4 mg/l(2). This Henry's Law constant indicates that isobutyraldehyde is expected to volatilize 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 3.6 hours(SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(3) is estimated as 4.6 days(SRC). Isobutyraldehyde's estimated Henry's Law constant(1,2) indicates that volatilization from moist soil surfaces may occur(SRC). The potential for volatilization of isobutyraldehyde from dry soil surfaces may exist(SRC) based upon a vapor pressure of 173 mm Hg(1).
Literature: (1) Boublik T et al; The vapor pressures of pure substances. Vol. 17. Amsterdam, Netherlands: Elsevier Sci Publ p,. 252 (1984) (2) Yalkowsky SH, Dannenfelser RM; The AQUASOL dATAbASE of Aqueous Solubility. Fifth Ed, Tucson, AZ: Univ Az, College of Pharmacy (1992) (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 isobutyraldehyde is estimated as 8(SRC), using a water solubility of 8.9X10+4(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that isobutyraldehyde is expected to have very high mobility in soil(SRC).
Literature: (1) Yalkowsky SH, Dannenfelser RM; The AQUASOL dATAbASE of Aqueous Solubility. 5th Ed, 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. 4-9 (1990) (3) Swann RL et al; Res Rev 85: 17-28 (1983)

Vapor Pressure

Pressure	Reference
173 mm Hg @ 25 deg C	Boublik, T., Fried, V., and Hala, E., The Vapour Pressures of Pure Substances. Second Revised Edition. Amsterdam: Elsevier, 1984., p. 252

MS-Links

1D-NMR-Links

Microorganisms emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Bacteria	Collimonas Pratensis TER91	na	rhizosphere of Marram grass in sandy dune soils, Netherlands	Garbeva et al., 2014
Fungi	Ceratocystis Sp.	n/a		Stotzky and Schenk, 1976
Fungi	Thielaviopsis Basicola	n/a		Stotzky and Schenk, 1976
Bacteria	Collimonas Pratensis Ter91	n/a		Garbeva et al., 2013
Bacteria	Lactobacillus Helveticus CIRM449	na	yoghurt	PogaÄiÄ‡ et al., 2016
Fungi	Trichoderma Viride			Hung et al., 2013
Fungi	Tuber Aestivum	n/a	Prof. Mattia Bentivenga (UniversitÃ di Perugia, Perugia, Italy) and in the fortywoodland of the Basilicata region	Mauriello et al., 2004
Fungi	Tuber Borchii	na	na	Splivallo and Ebeler 2015
Fungi	Tuber Brumale	n/a	Prof. Mattia Bentivenga (UniversitÃ di Perugia, Perugia, Italy) and in the fortywoodland of the Basilicata region	Mauriello et al., 2004
Fungi	Tuber Melanosporum	n/a	Prof. Mattia Bentivenga (UniversitÃ di Perugia, Perugia, Italy) and in the fortywoodland of the Basilicata region	Mauriello et al., 2004
Fungi	Tuber Panniferum	n/a	Prof. Mattia Bentivenga (UniversitÃ di Perugia, Perugia, Italy) and in the fortywoodland of the Basilicata region	Mauriello et al., 2004
Fungi	Aspergillus Sp.			Jelen and Grabarkiewicz-Szczesna 2005
Fungi	Fusarium Sp.			Jelen and Grabarkiewicz-Szczesna 2005
Bacteria	Staphylococcus Sp.	n/a		Schulz and Dickschat, 2007
Fungi	Muscodor Albus CZ-620	n/a		Corcuff et al., 2011

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Bacteria	Collimonas Pratensis TER91	sand containing artificial root exudates	GC/MS	No
Fungi	Ceratocystis Sp.	n/a	n/a
Fungi	Thielaviopsis Basicola	n/a	n/a
Bacteria	Collimonas Pratensis Ter91		Headspace trapping/GC-MS
Bacteria	Lactobacillus Helveticus CIRM449	curd-based broth medium	GC/MS	Yes
Fungi	Trichoderma Viride	Malt extract agar	Headspace volatiles collected with colomn/TD-GC-MS	Yes
Fungi	Tuber Aestivum	n/a	microextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)
Fungi	Tuber Borchii	na	SPME-GC/MS/O); GC-R	Yes
Fungi	Tuber Brumale	n/a	microextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)
Fungi	Tuber Melanosporum	n/a	microextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)
Fungi	Tuber Panniferum	n/a	microextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)
Fungi	Aspergillus Sp.			no
Fungi	Fusarium Sp.			no
Bacteria	Staphylococcus Sp.	n/a	n/a
Fungi	Muscodor Albus CZ-620	n/a	Headspace sampler/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)

Microorganism:

Yes

IUPAC name

butan-2-one

SMILES

CCC(=O)C

Inchi

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

Formula

CH₃COCH₂CH₃

PubChem ID

6569

Molweight

72.107

LogP

0.81

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

Ketones

mVOC Specific Details

Volatilization

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

Soil Adsorption

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

Vapor Pressure

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

MS-Links

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

MS-MS Spectrum 19963

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

MS-MS Spectrum 19962

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

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

MS-MS Spectrum 22254

MS-MS Spectrum 20703

MS-MS Spectrum 19961

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

MS-MS Spectrum 20702

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

1D-NMR-Links

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

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

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

Microorganisms emitting the compound

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

Method

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

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)

Microorganism:

Yes

IUPAC name

2-methylbutanal

SMILES

CCC(C)C=O

Inchi

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

Formula

C₅H₁₀O

PubChem ID

7284

Molweight

86.134

LogP

1.31

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

Aldehydes

mVOC Specific Details

MS-Links

MS-Links

1D-NMR-Links

Microorganisms emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Fungi	Tuber Panniferum	n/a	Prof. Mattia Bentivenga (UniversitÃ di Perugia, Perugia, Italy) and in the fortywoodland of the Basilicata region	Mauriello et al., 2004
Fungi	Ceratocystis Sp.	n/a		Stotzky and Schenk, 1976
Fungi	Thielaviopsis Basicola	n/a		Stotzky and Schenk, 1976
Bacteria	Staphylococcus Epidermidis		DSMZ	Verhulst et al. 2010
Fungi	Tuber Aestivum	n/a	Agricultural Centre of Castilla and LeÃƒÂ³n Community (Monasterio de la Santa Espina, Valladolid, Spain) and Navaleno (Soria, Spain).	Diaz et al., 2003
Fungi	Tuber Melanosporum	n/a	Agricultural Centre of Castilla and LeÃƒÂ³n Community (Monasterio de la Santa Espina, Valladolid, Spain) and Navaleno (Soria, Spain).	Diaz et al., 2003
Bacteria	Coagulase-negative Staphylococci	n/a		Hettinga et al., 2008
Bacteria	Lactobacillus Helveticus CIRM449	na	yoghurt	PogaÄiÄ‡ et al., 2016
Bacteria	Proteus Spp.	na	from Microbial Type Culture Collection, Chandigarh and Sri Ramachandra University, Chennai, Tamilnadu, India	Aarthi et al., 2014
Bacteria	Staphylococcus Aureus	n/a		Hettinga et al., 2008
Bacteria	Staphylococcus Sciuri	na	from the gut flora of pea aphid Acyrthosiphon pisum honeydew	Leroy et al., 2011
Bacteria	Staphylococcus Sp.	n/a		Schulz and Dickschat, 2007
Bacteria	Streptococcus Dysgalactiae	n/a		Hettinga et al., 2008
Bacteria	Streptococcus Uberis	n/a		Hettinga et al., 2008
Fungi	Aspergillus Sp.			Jelen and Grabarkiewicz-Szczesna 2007
Fungi	Fusarium Graminearum 15AcDON	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum 15AcDON 1001ta	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum 15AcDON ZFR 29	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum 15AcDON_4	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum 15AcDON_5	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum 15AcDON_6	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum 15AcDON_7	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum 15AcDON_8	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum 15AcDON_9	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum 3AcDON 1002t	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum 3AcDON 11791	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum 3AcDON 1509	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum 3AcDON 8046	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum 3AcDON NRRL38369	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum 3AcDON NRRL6394	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum 3AcDON ZFR 15	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum 3AcDON ZFR 37	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum 3AcDON ZFR 51	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum NIV	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum NIV ZFR 119	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum NIV ZFR 23	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum NIV ZFR 48	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum NIV_5	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum NIV_6	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum NIV_7	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum NIV_8	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum NIV_9	n/a		Busko et al., 2014
Fungi	Fusarium Sp.			Jelen and Grabarkiewicz-Szczesna 2007
Fungi	Trichoderma Viride			Hung et al., 2013
Fungi	Tuber Aestivum	n/a	Prof. Mattia Bentivenga (UniversitÃ di Perugia, Perugia, Italy) and in the fortywoodland of the Basilicata region	Mauriello et al., 2004
Fungi	Tuber Borchii	n/a	Prof. Mattia Bentivenga (UniversitÃ di Perugia, Perugia, Italy) and in the fortywoodland of the Basilicata region	Mauriello et al., 2004
Fungi	Tuber Brumale	n/a	Prof. Mattia Bentivenga (UniversitÃ di Perugia, Perugia, Italy) and in the fortywoodland of the Basilicata region	Mauriello et al., 2004
Fungi	Tuber Magnatum	n/a	Prof. Mattia Bentivenga (UniversitÃ di Perugia, Perugia, Italy) and in the fortywoodland of the Basilicata region	Mauriello et al., 2004
Fungi	Tuber Melanosporum	n/a		Splivallo et al., 2007
Fungi	Tuber Mesentericum	n/a	Prof. Mattia Bentivenga (UniversitÃ di Perugia, Perugia, Italy) and in the fortywoodland of the Basilicata region	Mauriello et al., 2004
Fungi	Tuber Oligospermum	n/a	Prof. Mattia Bentivenga (UniversitÃ di Perugia, Perugia, Italy) and in the fortywoodland of the Basilicata region	Mauriello et al., 2004
Fungi	Tuber Uncinatum	n/a	France, Italy, Switzerland, the UK, Austria, Romania, and Hungary	Splivallo et al., 2012
Bacteria	Escherichia Coli	n/a		Tait et al., 2014
Bacteria	Klebsiella Pneumoniae	n/a		Tait et al., 2014
Bacteria	Staphylococcus Aureus	n/a		Tait et al., 2014
Bacteria	Bacillus Subtilis GB03	n/a		Lee et al., 2012

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Fungi	Tuber Panniferum	n/a	microextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)
Fungi	Ceratocystis Sp.	n/a	n/a
Fungi	Thielaviopsis Basicola	n/a	n/a
Bacteria	Staphylococcus Epidermidis	CLSA, charcoal, GC-MS		no
Fungi	Tuber Aestivum	n/a	Headspace solid-phase microextraction (HS-SPME) combined with GC-MS
Fungi	Tuber Melanosporum	n/a	Headspace solid-phase microextraction (HS-SPME) combined with GC-MS
Bacteria	Coagulase-negative Staphylococci	Milk	HS-SPME/GC-MS
Bacteria	Lactobacillus Helveticus CIRM449	curd-based broth medium	GC/MS	Yes
Bacteria	Proteus Spp.	LB broth	GC/MS, FT-IR	No
Bacteria	Staphylococcus Aureus	Milk	HS-SPME/GC-MS
Bacteria	Staphylococcus Sciuri	866 liquid medium	SPME-GC/MS
Bacteria	Staphylococcus Sp.	n/a	n/a
Bacteria	Streptococcus Dysgalactiae	Milk	HS-SPME/GC-MS
Bacteria	Streptococcus Uberis	Milk	HS-SPME/GC-MS
Fungi	Aspergillus Sp.			no
Fungi	Fusarium Graminearum 15AcDON	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum 15AcDON 1001ta	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum 15AcDON ZFR 29	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum 15AcDON_4	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum 15AcDON_5	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum 15AcDON_6	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum 15AcDON_7	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum 15AcDON_8	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum 15AcDON_9	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum 3AcDON 1002t	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum 3AcDON 11791	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum 3AcDON 1509	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum 3AcDON 8046	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum 3AcDON NRRL38369	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum 3AcDON NRRL6394	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum 3AcDON ZFR 15	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum 3AcDON ZFR 37	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum 3AcDON ZFR 51	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum NIV	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum NIV ZFR 119	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum NIV ZFR 23	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum NIV ZFR 48	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum NIV_5	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum NIV_6	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum NIV_7	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum NIV_8	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum NIV_9	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Sp.			no
Fungi	Trichoderma Viride	Malt extract agar	Headspace volatiles collected with colomn/TD-GC-MS	Yes
Fungi	Tuber Aestivum	n/a	microextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)
Fungi	Tuber Borchii	n/a	microextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)
Fungi	Tuber Brumale	n/a	microextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)
Fungi	Tuber Magnatum	n/a	microextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)
Fungi	Tuber Melanosporum	n/a	n/a
Fungi	Tuber Mesentericum	n/a	microextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)
Fungi	Tuber Oligospermum	n/a	microextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)
Fungi	Tuber Uncinatum	n/a	SPME-GC-MS
Bacteria	Escherichia Coli	BHI Broth/ TS Broth/Glucose EF base broth	GC-MS /Polar and non-polar GC Column
Bacteria	Klebsiella Pneumoniae	BHI Broth/ TS Broth/Glucose EF base broth	GC-MS /Polar and non-polar GC Column
Bacteria	Staphylococcus Aureus	BHI Broth/ TS Broth/Glucose EF base broth	GC-MS /Polar and non-polar GC Column
Bacteria	Bacillus Subtilis GB03	Tryptic soy agar	SPME coupled with GC-MS

Anisole

Mass-Spectra

Compound Details

Synonymous names

Methoxybenzene

Phenoxymethane

Anisole Methoxybenzene

Methoxy-Benzeneanisole

methylphenyl ether

RDOXTESZEPMUJZ-UHFFFAOYSA-N

Anisloe

Anisol

ANISOLE

Anizol

Methoxy-Benzene

4-methoxybenzene

Anisole, analytical standard

Methyl phenyl ether

Phenol methyl ether

Phenyl methyl ether

AC1Q4EAV

AC1Q4FFF

Benzene, methoxy

4-methoxy benzene

4-methoxy-benzene

AC1L1OY1

Ether, methyl phenyl

B3W693GAZH

Benzene, methoxy-

SCHEMBL1205

Anisole, pharmaceutical secondary standard; traceable to USP

HSDB 44

I767

KSC176C8R

ACMC-1C6S9

CE0043

NSC7920

PubChem12830

UN2222

UNII-B3W693GAZH

A0492

AQUALINE STANDARD 1.0

CTK0H6188

Ether, methyl phenyl-

WLN: 1OR

AS04310

CHEMBL278024

RP18892

SCHEMBL497674

bmse010217

C01403

EpiMediuM BreviconuM P.E.(Icariin)

FEMA 2097

LTBB002265

M03556

METHOXY-BENZENE (ANISOL)

ZINC897131

Anisole, United States Pharmacopeia (USP) Reference Standard

DTXSID4041608

FEMA Number 2097

LS-2563

NSC 7920

NSC-7920

OR025028

OR192800

OR192801

STL263485

UN 2222

ZB015123

CHEBI:16579

AN-24560

ANW-14338

CJ-04502

LABOTEST-BB LTBB002265

SC-25797

SCHEMBL12015260

TRA0007442

BDBM50386177

MFCD00008354

ZINC00897131

AI3-00042

DB-003588

RTR-032978

TR-032978

AKOS000120161

I01-1977

J-000194

ZINC329788065

ZINC329788108

FEMA No. 2097

FT-0628309

FT-0652964

Anisole, anhydrous, 99.7%

Anisole, ReagentPlus(R), 99%

100-66-3

F1908-0172

Anisole, >=99%, FCC, FG

Anisole, 99% 500g

MCULE-2691526560

EINECS 202-876-1

Anisole [UN2222] [Flammable liquid]

EC 202-876-1

MolPort-000-219-450

Anisole [UN2222] [Flammable liquid]

14387-EP2272822A1

14387-EP2316836A1

19606-EP2269986A1

19606-EP2269995A1

19606-EP2270000A1

19606-EP2272517A1

19606-EP2272822A1

19606-EP2272832A1

19606-EP2275411A2

19606-EP2281818A1

19606-EP2281821A1

19606-EP2284148A1

19606-EP2284165A1

19606-EP2284169A1

19606-EP2287141A1

19606-EP2287161A1

19606-EP2287162A1

19606-EP2289894A2

19606-EP2289897A1

19606-EP2289965A1

19606-EP2292592A1

19606-EP2292593A2

19606-EP2292624A1

19606-EP2298767A1

19606-EP2298768A1

19606-EP2298770A1

19606-EP2298778A1

19606-EP2298828A1

19606-EP2301924A1

19606-EP2301933A1

19606-EP2301937A1

19606-EP2301983A1

19606-EP2305250A1

19606-EP2305667A2

19606-EP2305685A1

19606-EP2305686A1

19606-EP2308510A1

19606-EP2308562A2

19606-EP2308833A2

19606-EP2308857A1

19606-EP2308867A2

19606-EP2308870A2

19606-EP2308880A1

19606-EP2308926A1

19606-EP2308960A1

19606-EP2309564A1

19606-EP2311827A1

19606-EP2314558A1

19606-EP2314576A1

19606-EP2314587A1

19606-EP2314590A1

19606-EP2314591A1

37374-EP2311802A1

37374-EP2311803A1

56738-EP2277868A1

56738-EP2277869A1

56738-EP2277870A1

56738-EP2292608A1

56738-EP2295422A2

56738-EP2298305A1

56738-EP2298746A1

56738-EP2298769A1

56738-EP2308878A2

56738-EP2371806A1

56738-EP2371807A1

56738-EP2380568A1

187286-EP2272849A1

InChI=1/C7H8O/c1-8-7-5-3-2-4-6-7/h2-6H,1H

Microorganism:

Yes

IUPAC name

anisole

SMILES

COC1=CC=CC=C1

Inchi

InChI=1S/C7H8O/c1-8-7-5-3-2-4-6-7/h2-6H,1H3

Formula

C₇H₈O

PubChem ID

7519

Molweight

108.14

LogP

1.82

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

Benzenoids Ethers

mVOC Specific Details

Volatilization

The Henry's Law constant for anisole estimated to be 4.35X10-3 atm-cu-m/mol(SRC) using a fragment constant estimation method(1). This value indicates that anisole will volatilize rapidly from water(2,SRC). Using this value for the Henry's Law constant, the volatilization half-life from a model river (1 m deep flowing at 1 m/s with a wind speed of 3 m/s) is estimated as 3.2 hr(2,SRC). Similarly, the volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind volocity of 0.5 m/sec) is estimated as 4.2 days(2,SRC). Anisole's moderate vapor pressure, 3.5 mm Hg at 25 deg C(3), low adsorptivity to soil, and high Henry's Law constant(1,SRC) indicate that volatilization from dry and moist soil may occur(SRC).
Literature: (1) Meylan WM, Howard PH; Environ Toxicol Chem 10: 1283-93 (1991) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods, NY: McGraw-Hill Chapt 15, 16 (1982) (3) Ambrose D et al; J Chem Therm 8: 165-78 (1976) (4) Bahnick DA, Doucette WJ; Chemosphere 17: 1703-15 (1988)

Soil Adsorption

An experimental Koc of 35 has been reported for anisole(1). Using an estimation method based on molecular connectivity indices(2), the Koc for anisole is estimated to be 118(SRC). According to a suggested classification scheme(3), these Koc values respectively suggest that anisole would be very highly mobile and highly mobile in soil and would readily leach(SRC).
Literature: (1) Bahnick DA, Doucette WJ; Chemosphere 17: 1703-15 (1988) (2) Meylan WM et al; Environ Sci Technol 26: 1560-7 (1992) (3) Swann RL et al; Res Rev 85: 17-28 (1983)

Vapor Pressure

Pressure	Reference
0.472 kPa (3.54 mm Hg) @ 25 deg C	Ambrose D et al; J Chem Therm 8: 165-78 (1976)

MS-Links

1D-NMR-Links

Microorganisms emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Bacteria	Chondromyces Crocatus Cm C2	n/a		Schulz et al., 2004
Fungi	Aspergillus Versicolor			Sunesson et al. 1995
Bacteria	Chondromyces Crocatus	n/a		Schulz and Dickschat, 2007
Fungi	Aspergillus Versicolor Tiraboschi	na	damp indoor environments, food products	Sunesson et al., 1995
Fungi	Tuber Brumale	n/a	Prof. Mattia Bentivenga (UniversitÃ di Perugia, Perugia, Italy) and in the fortywoodland of the Basilicata region	Mauriello et al., 2004
Fungi	Tuber Melanosporum	n/a	Prof. Mattia Bentivenga (UniversitÃ di Perugia, Perugia, Italy) and in the fortywoodland of the Basilicata region	Mauriello et al., 2004
Fungi	Aspergillus Candidus		compost	Fischer et al. 2012
Fungi	Aspergillus Vesicolor		compost	Fischer et al. 2012
Fungi	Tuber Melanosporum	n/a	Agricultural Centre of Castilla and LeÃƒÂ³n Community (Monasterio de la Santa Espina, Valladolid, Spain) and Navaleno (Soria, Spain).	Diaz et al., 2003

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Bacteria	Chondromyces Crocatus Cm C2	n/a	n/a
Fungi	Aspergillus Versicolor			no
Bacteria	Chondromyces Crocatus	n/a	n/a
Fungi	Aspergillus Versicolor Tiraboschi	DG18	GC/MS
Fungi	Tuber Brumale	n/a	microextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)
Fungi	Tuber Melanosporum	n/a	microextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)
Fungi	Aspergillus Candidus	yest extract sucrose	Tenax/GC-MS	no
Fungi	Aspergillus Vesicolor	yest extract sucrose	Tenax/GC-MS	no
Fungi	Tuber Melanosporum	n/a	Headspace solid-phase microextraction (HS-SPME) combined with GC-MS

Ethyl Propanoate

Mass-Spectra

Compound Details

Synonymous names

ethylpropanoate

Ethylpropionate

Ethylester kyseliny propionove

Propionate d'ethyle

FKRCODPIKNYEAC-UHFFFAOYSA-N

Ethyl propanoate

ETHYL PROPIONATE

NATURAL ETHYL PROPIONATE

Propionic ester

Propionic ether

propionic acid ethyl

Ethyl n-propionate

Ethyl propionate, analytical standard

n-Ethyl propanoate

AC1L1PGR

CA1

Propanoic acid ethyl ester

Propionic acid ethyl ester

ACMC-1BQGO

Nat. Ethyl Propionate

AC1Q34MV

Ethyl ester of propanoic acid

Ethylester kyseliny propionove [Czech]

Propionate d'ethyle [French]

AT9K8FY49U

C2H5COOC2H5

Ethyl propionate (natural)

Propanoic acid, ethyl ester

propionic acid ethyl ester-

Propionic acid, ethyl ester

KSC174K6P

CHEMBL44115

NSC8848

SCHEMBL16045

UN1195

UNII-AT9K8FY49U

CTK0H4567

Ethyl propionate, 99%

P0505

Y1319

NE10649

RP18772

HSDB 5366

WLN: 2VO2

ZINC388078

DTXSID1040110

LS-2360

NSC 8848

NSC-8848

OR021501

OR197424

SBB060312

STL280279

UN 1195

ZB011270

CHEBI:41330

AN-24710

ANW-15209

CJ-03101

DSSTox_GSID_40110

KB-51648

TRA0031814

DSSTox_CID_20110

DSSTox_RID_79439

LMFA07010411

MFCD00009308

ZINC00388078

AI3-24354

DB-040613

RTR-001121

ST51046524

TR-001121

AKOS003216229

AKOS008947789

I14-2587

J-001405

J-521280

BRN 0506287

FEMA No. 2456

FT-0631582

Tox21_301081

105-37-3

F0001-0104

Ethyl propionate, >=97%, FCC, FG

MCULE-1639864693

NCGC00248281-01

NCGC00254982-01

CAS-105-37-3

EINECS 203-291-4

Ethyl propionate [UN1195] [Flammable liquid]

Ethyl propionate, natural, >=97%, FCC, FG

MolPort-001-769-743

WE(2:0/3:0)

Ethyl propionate [UN1195] [Flammable liquid]

32454-EP2301933A1

32454-EP2311827A1

74305-EP2269986A1

74305-EP2272843A1

74305-EP2287152A2

74305-EP2289868A1

74305-EP2292606A1

74305-EP2298750A1

74305-EP2305676A1

74305-EP2305825A1

74305-EP2308857A1

74305-EP2380568A1

Ethyl propionate LBG-29964, LBG-29965

4-02-00-00705 (Beilstein Handbook Reference)

InChI=1/C5H10O2/c1-3-5(6)7-4-2/h3-4H2,1-2H

Microorganism:

Yes

IUPAC name

ethyl propanoate

SMILES

CCC(=O)OCC

Inchi

InChI=1S/C5H10O2/c1-3-5(6)7-4-2/h3-4H2,1-2H3

Formula

C₅H₁₀O₂

PubChem ID

7749

Molweight

102.133

LogP

0.98

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

Esters

mVOC Specific Details

Volatilization

The Henry's Law constant for ethyl propionate is estimated as 2.51X10-4 atm-cu m/mole(SRC) from its vapor pressure, 35.8 mm Hg(1), and water solubility, 19,200 mg/l(2). This Henry's Law constant indicates that ethyl propionate is expected to volatilize 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 6 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). Ethyl propionate's estimated Henry's Law constant(1,2) indicates that volatilization from moist soil surfaces may occur(SRC). The potential for volatilization of ethyl propionate from dry soil surfaces may exist(SRC) based upon a vapor pressure of 35.8 mm Hg(1).
Literature: (1) Perry RH, Green D; Perry's Chemical Handbook. Physical and Chemical data. NY, NY: McGraw-Hill 6th ed (1984) (2) Yalkowsky SH, Dannenfelser RM; The AQUASOL dATAbASE of Aqueous Solubility. Fifth ed, Tucson, AZ: Univ Az, College of Pharmacy (1992) (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

Using a structure estimation method based on molecular connectivity indices(1), the Koc for ethyl propionate can be estimated to be about 12(SRC). According to a classification scheme(2), this estimated Koc value suggests that ethyl propionate is expected to have very high mobility in soil.
Literature: (1) Meylan WM et al; Environ Sci Technol 26: 1560-67 (1992) (2) Swann RL et al; Res Rev 85: 17-28 (1983)

Vapor Pressure

Pressure	Reference
35.8 mm Hg @ 25 deg C	Perry RH, Green D; Perry's Chemical Handbook. Physical and Chemical data. NY, NY: McGraw-Hill 6th ed (1984)

MS-Links

MS-MS Spectrum 128275

MS-MS Spectrum 69900

MS-MS Spectrum 69902

MS-MS Spectrum 69901

MS-MS Spectrum 128274

MS-MS Spectrum 128276

1D-NMR-Links

1D NMR Spectrum 4541

1D NMR Spectrum 4423

Microorganisms emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Bacteria	Lactobacillus Rhamnosus CIRM1436	na	Domiati cheese	PogaÄiÄ‡ et al., 2016
Fungi	Penicillium Commune Pitt	na	in dry-cured meat products, cheese	Sunesson et al., 1995
Fungi	Tuber Borchii		T. melanosporum, T. borchii were collected from northern Italy (Piedmont) and T. indicum from Yunnan and Sichuan Provinces (China).	Splivallo et al., 2007b
Fungi	Ceratocystis Fagacearum			Lin and Phelan 1993
Fungi	Dipodascus Aggregatus	Enhanced growth and sporulation of Pestalotia rhododendri at low concentrations.		Stotzky and Schenk, 1976
Fungi	Geotrichum Candidum		compost mixed with milky fermented product	Zirbes et al. 2013
Fungi	Tuber Simonea	None	None	March et al., 2006
Fungi	Tuber Aestivum	n/a	Ayme Truffe of Grignan, 26230 France	March et al., 2006
Fungi	Tuber Brumale	n/a	Ayme Truffe of Grignan, 26230 France	March et al., 2006
Fungi	Tuber Melanosporum	n/a	Ayme Truffe of Grignan, 26230 France	March et al., 2006
Fungi	Tuber Mesentericum	n/a	Ayme Truffe of Grignan, 26230 France	March et al., 2006
Fungi	Tuber Miesentericum	None	None	March et al., 2006
Fungi	Tuber Rufum	n/a	Ayme Truffe of Grignan, 26230 France	March et al., 2006
Fungi	Tuber Simonea	n/a	Ayme Truffe of Grignan, 26230 France	March et al., 2006

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Bacteria	Lactobacillus Rhamnosus CIRM1436	curd-based broth medium	GC/MS	Yes
Fungi	Penicillium Commune Pitt	MEA	GC/MS
Fungi	Tuber Borchii			Yes
Fungi	Ceratocystis Fagacearum			no
Fungi	Dipodascus Aggregatus	n/a	n/a
Fungi	Geotrichum Candidum	medium 863	SPME-GC-MS	yes
Fungi	Tuber Simonea	None	Pressure balanced head-space sampling and GC/TOF-MS	No
Fungi	Tuber Aestivum	n/a	Pressure balanced head-space sampling and GC/TOF-MS
Fungi	Tuber Brumale	n/a	Pressure balanced head-space sampling and GC/TOF-MS
Fungi	Tuber Melanosporum	n/a	Pressure balanced head-space sampling and GC/TOF-MS
Fungi	Tuber Mesentericum	n/a	Pressure balanced head-space sampling and GC/TOF-MS
Fungi	Tuber Miesentericum	None	Pressure balanced head-space sampling and GC/TOF-MS	No
Fungi	Tuber Rufum	n/a	Pressure balanced head-space sampling and GC/TOF-MS
Fungi	Tuber Simonea	n/a	Pressure balanced head-space sampling and GC/TOF-MS

Butan-2-yl Acetate

Mass-Spectra

Compound Details

Synonymous names

acetatedebutylesecondaire

1-methylpropylethanoate

Booksaver

Cascorez

DCKVNWZUADLDEH-UHFFFAOYSA-N

Ethenyl acetate homopolymer

POLYVINYL ACETATE

Rhodopas

1-methylpropylacetate

Danfirm

Daratak

Duvilax

Movinyl

Soloid

Soviol

AYAA

AYAF

AYJV

Bakelite AYAA

Bakelite AYAF

Bakelite AYAT

Butyl acetates

Gelva

Lemac

Polyvinyl acetate resin

PVAE

Vinac

Merckogel OR

Mowilith DV

Pioloform F

Rhodopas BB

1-Methylpropyl ethanoate

2-butylacetate

Acetate de butyle secondaire

Duvilax HN

Emultex F

Ethenyl acetate, homopolymer

Everflex B

Mowilith D

Poly(vinylacetate)

Polyfox PO

Rhodopas B

Rhodopas M

sec-Butyl ethanoate

Vinacet D

Vinnapas B

1-Methylpropyl acetate

AC1L1PHI

AC1Q2SCO

Elmer's Glue All

SEC-BUTYL ACETATE

sec-Butyl alcohol acetate

Acetic acid secondary butyl ester

ACMC-1BTHS

En-cor

2-Butanol acetate

acetic acid sec-butyl

sec-butyl esters-butyl acetate

Toabond 2

Toabond 6

2-Butyl acetate

Acetic acid ethenyl ester, homopolymer

dl-sec-Butyl acetate

Movinyl 50M

Mowilith 30

Mowilith 50

Mowilith 70

Mowilith 90

Mowilith M70

Poly(vinyl acetate)

Raviflex 43

Toabond 40H

Acetic Acid sec-Butyl Ester

Acetic acid,1-methylpropyl ester

PS 3h

Rhodopas HV 2

Acetic acid vinyl ester, polymers

Cemedine 196

Gelva 25

KSC503Q5R

Polisol S-3

Polyco 117FR

Polysol S 5

Polysol S 6

Protex (polymer)

Rhodopas 010

Ucar 15

Vinipaint 555

7525AF

76 Res

Bakelite LP 90

Bond CH 3

butan-2-yl acetate

Cevian 380

DCA 70

Gohensil E 50Y

Movinyl 114

Movinyl 801

NSC8034

Polyco 953

Rhodopas 5000SMR

SCHEMBL26183

SP 60

Vinac B 7

Vinac RP251

Vinalite D 50N

Vinnapas UW 50

A0025

Acetic acid, ethenyl ester, homopolymer

Asahisol 1527

CTK4A3858

D 50

Duvilax BD 20

Duvilax LM 52

Gelva CSV 16

HSDB 673

Merckogen 6000

Polyfox P 20

Polysol 1000AX

Polysol PS 10

Rhodopas 5425

Rhodopas A 10

Sakunol SN 08

Ucar 130

Vinac ASB 10

Vinapol A 16

Vinnapas B 17

Acetate de butyle secondaire [French]

Acetic acid, 1-methylpropyl ester

Acetic acid, sec-butyl ester

ASB 516

Bond CH 18

Borden 2123

EBD19792

Esnil P 18

Formvar 1285

Gelva S 55H

Gelva TS 22

Gelva TS 23

Gelva TS 30

Gelva TS 85

Gelva V 15

Gelva V 25

National starch 1014

OM 100

Polyco 2116

Polyco 2134

Polysol 1000

Polysol 1200

Rhodopas AM 041

RL00247

UK 131

Vinamul 9300

HSDB 1250

Kurare OM 100

Lemac 1000

LTBB002237

P-170

V 501

Vinnapas B 100

Acetic acid, vinyl ester, polymer

Cevian A 678

CH3COOCH(CH3)C2H5

D 50 M

DTXSID0047612

EP 1208

EP 1436

EP 1437

EP 1463

Gelva GP 702

Gelva V 100

Gelva V 800

Gohsenyl E 50 Y

LS-2470

Meikatex 5000NG60

NS 2842

NSC 8034

NSC-8034

OR 1500

OR033983

OR197533

OR282704

OR369105

RV225-5B

VA 0112

Acetic acid, 2-butoxy ester

Mokotex D 2602

sec-Butyl acetate, 99%

AN-24715

ANW-15227

Bond CH 1200

FCH1117739

LS-11208

TRA0099547

ACN-S002424

MFCD00009328

R 10688

S-Nyl-P 42

Elvacet 81-900

Plyamul 40-155

Plyamul 40-350

RTR-001140

TR-001140

Vinalite DS 41/11

AKOS015915371

D 50 (Polymer)

I14-5852

J-001429

J-520419

BRN 1720689

FT-0653023

SP 60 (Ester)

National 120-1207

Resyn 25-1014

Resyn 25-1025

WLN: 2Y1 & OV1

105-46-4

MCULE-8410375215

EINECS 203-300-1

Butyl acetates [UN1123] [Flammable liquid]

116698-48-7

MolPort-001-783-794

MolPort-039-193-725

Butyl acetates [UN1123] [Flammable liquid]

4-02-00-00148 (Beilstein Handbook Reference)

Microorganism:

Yes

IUPAC name

butan-2-yl acetate

SMILES

CCC(C)OC(=O)C

Inchi

InChI=1S/C6H12O2/c1-4-5(2)8-6(3)7/h5H,4H2,1-3H3

Formula

C₆H₁₂O₂

PubChem ID

7758

Molweight

116.16

LogP

1.22

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

Esters

mVOC Specific Details

Microorganisms emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Fungi	Tuber Aestivum	n/a	Fortywoodland of the Basilicata region	Mauriello et al., 2004
Fungi	Tuber Brumale	n/a	Fortywoodland of the Basilicata region	Mauriello et al., 2004
Bacteria	Nannocystis Exedens Subsp. Cinnabarina Na C29	n/a		Dickschat et al., 2007

Method

Kingdom	Species	Growth Medium	Applied Method
Fungi	Tuber Aestivum	n/a	microextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)
Fungi	Tuber Brumale	n/a	microextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)
Bacteria	Nannocystis Exedens Subsp. Cinnabarina Na C29	n/a	n/a

Ethyl Butanoate

Mass-Spectra

Compound Details

Synonymous names

OBNCKNCVKJNDBV-UHFFFAOYSA-N

Ethyl butanoate

ETHYL BUTYRATE

Ethyl Butyrate Natural

Butyric ether

Butyric ethee

Butyric ester

Butyric acid ethyl

Ethyl butyrate, analytical standard

Ethyl n-butyrate

Ethyl n-butanoate

Butanoicacid, ethyl ester

Butanoic acid ethyl ester

AC1L1PHR

Butanoic acid ethyl estee

Butyric acid ethyl estee

Butyric acid ethyl ester

Ethyl ester of butanoic acid

AC1Q2UI5

Nat. Ethyl Butyrate

Butanoic acid, ethyl ester

SCHEMBL6115

UFD2LZ005D

n-Butyric acid ethyl ester

Butyric acid, ethyl ester

KSC489Q2R

Ethyl butyrate (natural)

NSC8857

7520AF

CHEMBL44800

UNII-UFD2LZ005D

UN1180

CTK3I9828

HSDB 406

B0759

Ethyl butyrate, 99%

NE34239

RP19237

ACMC-2098gq

LTBB002248

WLN: 3VO2

ZINC404390

CCRIS 6554

DTXSID6040111

LS-2361

UN 1180

Jsp000519

NSC 8857

NSC-8857

FEMA Number 2427

OR033993

OR197129

ZB013520

OR197602

CHEBI:88764

ANW-15240

CJ-04029

AN-17343

DSSTox_GSID_40111

SC-26823

KB-77231

DSSTox_RID_79440

MFCD00009394

DSSTox_CID_20111

LMFA07010874

ZINC00404390

RTR-001152

TR-001152

AI3-18427

J-001444

AKOS008948342

I14-2578

FT-0623347

BRN 0506331

FEMA No. 2427

TRA-0207104

Tox21_300065

F0001-0107

105-54-4

NCGC00247893-01

NCGC00253968-01

Ethyl butyrate, >=98%, FCC, FG

MCULE-9977024136

CAS-105-54-4

EINECS 203-306-4

Ethyl butyrate [UN1180] [Flammable liquid]

Ethyl butyrate, natural, >=98%, FCC, FG

MolPort-001-783-797

Ethyl butyrate [UN1180] [Flammable liquid]

4-02-00-00787 (Beilstein Handbook Reference)

InChI=1/C6H12O2/c1-3-5-6(7)8-4-2/h3-5H2,1-2H

Microorganism:

Yes

IUPAC name

ethyl butanoate

SMILES

CCCC(=O)OCC

Inchi

InChI=1S/C6H12O2/c1-3-5-6(7)8-4-2/h3-5H2,1-2H3

Formula

C₆H₁₂O₂

PubChem ID

7762

Molweight

116.16

LogP

1.42

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

Esters Ester

mVOC Specific Details

Volatilization

The Henry's Law constant for ethyl n-butyrate is estimated as 4.4X10-4 atm-cu m/mole(SRC) derived from its vapor pressure, 14.0 mm Hg(1), and water solubility, 4,900 mg/L(2). This Henry's Law constant indicates that ethyl n-butyrate is expected to volatilize from water surfaces(3). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec)(3) is estimated as 5 hours(SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(3) is estimated as 5 days(SRC). Ethyl n-butyrate's estimated Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). The potential for volatilization of ethyl n-butyrate from dry soil surfaces may exist(SRC) based upon its vapor pressure(1).
Literature: (1) Daubert TE, Danner RP; Physical and Thermodynamic Properties of Pure Compounds Am Inst Chem Eng (1995) (2) Riddick JA et al; Organic Solvents New York, NY: John Wiley & Sons Inc. (1984) (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

Using a structure estimation method based on molecular connectivity indices(1), the Koc of ethyl n-butyrate can be estimated to be 20(SRC). According to a classification scheme(2), this estimated Koc value suggests that ethyl n-butyrate 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 13, 2015: http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm (2) Swann RL et al; Res Rev 85: 17-28 (1983)

Vapor Pressure

Pressure	Reference
14.0 mm Hg at 20 deg C	Daubert, T.E., R.P. Danner. Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, D.C.: Taylor and Francis, 1995.

MS-Links

1D-NMR-Links

Microorganisms emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Fungi	Tuber Simonea	None	None	March et al., 2006
Fungi	Tuber Brumale	n/a	Ayme Truffe of Grignan, 26230 France	March et al., 2006
Fungi	Tuber Rufum	n/a	Ayme Truffe of Grignan, 26230 France	March et al., 2006
Fungi	Tuber Simonea	n/a	Ayme Truffe of Grignan, 26230 France	March et al., 2006
Bacteria	Collimonas Fungivorans Ter331	n/a		Garbeva et al., 2013
Bacteria	Escherichia Coli	n/a		Hettinga et al., 2008
Bacteria	Klebsiella Sp.	n/a		Schulz and Dickschat, 2007
Bacteria	Leuconostoc Mesenteroides Subsp. Cremoris CIRM1303	na	goat cheese	PogaÄiÄ‡ et al., 2016
Bacteria	Serratia Plymuthica PRI-2C	na	maize rhizosphere, Netherlands	Garbeva et al., 2014
Bacteria	Staphylococcus Aureus	n/a		Hettinga et al., 2008
Fungi	Geotrichum Candidum		compost mixed with milky fermented product	Zirbes et al. 2017
Fungi	Penicillium Commune Pitt	na	in dry-cured meat products, cheese	Sunesson et al., 1995
Bacteria	Coagulase-negative Staphylococci	n/a		Hettinga et al., 2008
Bacteria	Escherichia Coli		milk of cows	Hettinga et al 2010
Bacteria	Streptococcus Dysgalactiae	n/a		Hettinga et al., 2008
Bacteria	Streptococcus Uberis	n/a		Hettinga et al., 2008
Fungi	Tuber Aestivum	n/a	T. melanosporum was from the cultivated truffle zones in the province and T. aestivum from the natural truffle zones in the same region	Cullere et al., 2010
Fungi	Tuber Melanosporum	n/a	T. melanosporum was from the cultivated truffle zones in the province and T. aestivum from the natural truffle zones in the same region	Cullere et al., 2010

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Fungi	Tuber Simonea	None	Pressure balanced head-space sampling and GC/TOF-MS	No
Fungi	Tuber Brumale	n/a	Pressure balanced head-space sampling and GC/TOF-MS
Fungi	Tuber Rufum	n/a	Pressure balanced head-space sampling and GC/TOF-MS
Fungi	Tuber Simonea	n/a	Pressure balanced head-space sampling and GC/TOF-MS
Bacteria	Collimonas Fungivorans Ter331		Headspace trapping/GC-MS
Bacteria	Escherichia Coli	Milk	HS-SPME/GC-MS
Bacteria	Klebsiella Sp.	n/a	n/a
Bacteria	Leuconostoc Mesenteroides Subsp. Cremoris CIRM1303	curd-based broth medium	GC/MS	Yes
Bacteria	Serratia Plymuthica PRI-2C	sand containing artificial root exudates	GC/MS	No
Bacteria	Staphylococcus Aureus	Milk	HS-SPME/GC-MS
Fungi	Geotrichum Candidum	medium 863	SPME-GC-MS	yes
Fungi	Penicillium Commune Pitt	MEA	GC/MS
Bacteria	Coagulase-negative Staphylococci	Milk	HS-SPME/GC-MS
Bacteria	Escherichia Coli		GCMS DSQ	no
Bacteria	Streptococcus Dysgalactiae	Milk	HS-SPME/GC-MS
Bacteria	Streptococcus Uberis	Milk	HS-SPME/GC-MS
Fungi	Tuber Aestivum	n/a	Gas chromatography-olfactometry (GC-O)
Fungi	Tuber Melanosporum	n/a	Gas chromatography-olfactometry (GC-O)

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)

Microorganism:

Yes

IUPAC name

2-methylbutan-1-ol

SMILES

CCC(C)CO

Inchi

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

Formula

CH₃CH₂CH(CH₃)CH₂OH

PubChem ID

8723

Molweight

88.15

LogP

1.17

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

Alcohols

mVOC Specific Details

Volatilization

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

Soil Adsorption

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

Vapor Pressure

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

MS-Links

Microorganisms emitting the compound

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

Method

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

Ethyl Acetate

Mass-Spectra

Compound Details

Synonymous names

Essigsaeureethylester

Acetoxyethane

Aethylacetat

Ethylacetaat

Ethylacetate

Essigester

Ethylazetat

Acetidin

Ethylester kyseliny octove

XEKOWRVHYACXOJ-UHFFFAOYSA-N

acet-ethylester

Acetate d'ethyle

Ethyl ethanoate

Vinegar naphtha

acetic acid ethylester

acetic-acid-ethylester

AcOEt

ehtyl acetate

ETHYL ACETATE

ethyl-acetate

EtOAc

Acetic ester

Acetic ether

Acetyl ester

EEE

ethyl acetat

Ethyl Acetate Natural

Ethyl acetate, Spectrophotometric Grade

Ethyl ester

Octan etylu

1-acetoxyethane

acetic ethyl ester

ethyl acetate ester

Ethyl acetic ester

Acetato de etilo

acetic acid ethyl

Ethyl acetate, analytical standard

Ethyl acetate, Environmental Grade

Nat.Ethyl Acetate

acet-eth-ester

Acetic acid ethyl ester

ACETIC ACID,ETHYL ESTER

ACMC-1BTXP

Ethyl acetate HPLC grade

Aethylacetat [German]

CH3COOC2H5

Ethyl Acetate Reagent Grade ACS

AC1L1RU4

AC1Q35EC

Essigester [German]

Ethyl Acetate, HPLC

Ethylacetaat [Dutch]

ETHYL ACETATE, ACS

Ethyl acetate, ACS reagent

Ethyl ester of acetic acid

Ethyle(acetate d')

Etile(acetato di)

Acetate d'ethyle [French]

Acetic acid, ethyl ester

Ethyl acetate, ACS grade

Ethyl acetate, HPLC Grade

Ethylester kyseliny octove [Czech]

HSDB 83

KSC492C3D

UNII-LM8ZO3J16V component XEKOWRVHYACXOJ-UHFFFAOYSA-N

CHEMBL14152

Ethyl acetate (natural)

Ethyl acetate, for HPLC

UN1173

A0030

c0036

CTK3J2131

E1504

Ethyl acetate GC, for residue analysis

Octan etylu [Polish]

Q0040

Q0044

Ethyl acetate (NF)

Ethyl acetate [NF]

Ethyle (acetate d')

Etile (acetato di)

LS-831

NSC70930

RL01740

76845O8NMZ

Acetato de etilo [Spanish]

C00849

CCRIS 6036

D02319

LTBB002232

RCRA waste number U112

WLN: 2OV1

ZINC895412

DTXSID1022001

OR000208

OR219292

OR253316

OR253317

STL282717

UN 1173

ZB015033

300085X

A807811

CHEBI:27750

DSSTox_CID_2001

Ethyl acetate, United States Pharmacopeia (USP) Reference Standard

UNII-76845O8NMZ

AN-23212

ANW-42221

CH3-CO-O-CH3

DSSTox_GSID_22001

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

KB-51510

NSC 70930

NSC-70930

SC-22781

BDBM50128823

Caswell No. 429

DSSTox_RID_76453

MFCD00009171

ZINC00895412

AI3-00404

Ethyl acetate, >=99.5%

Ethyl acetate, tested according to Ph.Eur.

RTR-005372

TR-005372

AKOS000121947

EPA Pesticide Chemical Code 044003

Epitope ID:116868

Ethyl acetate, 99.9%

Ethyl acetate, AR, >=99%

Ethyl acetate, LR, >=99%

I14-2577

J-007556

J-521240

RCRA waste no. U112

FEMA No. 2414

FT-0621744

FT-0693343

Ethyl acetate, >82% in a non hazardous diluent

Ethyle (acetate d') [French]

Etile (acetato di) [Italian]

Ethyl acetate, anhydrous, 99.8%

ETHYL, 1-(ACETYLOXY)-

ETHYL, 2-(ACETYLOXY)-

Tox21_111166

Tox21_202512

141-78-6

F0001-0489

Ethyl acetate, >=99%, FCC, FG

Ethyl acetate, ACS reagent, >=99.5%

MCULE-6628539781

NCGC00091766-01

NCGC00260061-01

CAS-141-78-6

EINECS 205-500-4

Ethyl acetate, capillary GC grade, >=99.5%

Ethyl acetate, for HPLC, >=99.5%

Ethyl acetate, for HPLC, >=99.7%

Ethyl acetate, for HPLC, >=99.8%

Ethyl acetate, HPLC grade, 99.8%

Ethyl acetate, JIS special grade, >=99.5%

Ethyl acetate, PRA grade, >=99.5%

Ethyl acetate, SAJ first grade, >=99.0%

936-EP0930075A1

936-EP1441224A2

936-EP2269610A2

936-EP2269651A2

936-EP2269975A2

936-EP2269977A2

936-EP2269986A1

936-EP2269987A1

936-EP2269988A2

936-EP2269989A1

936-EP2269990A1

936-EP2269992A1

936-EP2269993A1

936-EP2269994A1

936-EP2269997A2

936-EP2270000A1

936-EP2270003A1

936-EP2270004A1

936-EP2270006A1

936-EP2270008A1

936-EP2270009A1

936-EP2270011A1

936-EP2270014A1

936-EP2270015A1

936-EP2270113A1

936-EP2270114A1

936-EP2272509A1

936-EP2272516A2

936-EP2272517A1

936-EP2272537A2

936-EP2272813A2

936-EP2272817A1

936-EP2272822A1

936-EP2272825A2

936-EP2272827A1

936-EP2272829A2

936-EP2272830A1

936-EP2272832A1

936-EP2272834A1

936-EP2272835A1

936-EP2272839A1

936-EP2272840A1

936-EP2272841A1

936-EP2272842A1

936-EP2272843A1

936-EP2272844A1

936-EP2272847A1

936-EP2272848A1

936-EP2272849A1

936-EP2272935A1

936-EP2272972A1

936-EP2272973A1

936-EP2274983A1

936-EP2275102A1

936-EP2275105A1

936-EP2275395A2

936-EP2275398A1

936-EP2275401A1

936-EP2275403A1

936-EP2275404A1

936-EP2275407A1

936-EP2275410A1

936-EP2275411A2

936-EP2275412A1

936-EP2275413A1

936-EP2275414A1

936-EP2275415A2

936-EP2275419A2

936-EP2275420A1

936-EP2275421A1

936-EP2275423A1

936-EP2275469A1

936-EP2277565A2

936-EP2277566A2

936-EP2277567A1

936-EP2277568A2

936-EP2277569A2

936-EP2277570A2

936-EP2277858A1

936-EP2277861A1

936-EP2277865A1

936-EP2277866A1

936-EP2277867A2

936-EP2277872A1

936-EP2277874A1

936-EP2277875A2

936-EP2277876A1

936-EP2277878A1

936-EP2277879A1

936-EP2277880A1

936-EP2277881A1

936-EP2277898A2

936-EP2279741A2

936-EP2279750A1

936-EP2279751A2

936-EP2280000A1

936-EP2280001A1

936-EP2280003A2

936-EP2280005A1

936-EP2280006A1

936-EP2280007A1

936-EP2280008A2

936-EP2280009A1

936-EP2280010A2

936-EP2280012A2

936-EP2280014A2

936-EP2281563A1

936-EP2281810A1

936-EP2281812A1

936-EP2281813A1

936-EP2281815A1

936-EP2281817A1

936-EP2281818A1

936-EP2281819A1

936-EP2281820A2

936-EP2281821A1

936-EP2281823A2

936-EP2281824A1

936-EP2281899A2

936-EP2283811A1

936-EP2283898A1

936-EP2284148A1

936-EP2284149A1

936-EP2284154A1

936-EP2284157A1

936-EP2284158A1

936-EP2284159A1

936-EP2284160A1

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936-EP2284169A1

936-EP2284170A1

936-EP2284171A1

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936-EP2284174A1

936-EP2284178A2

936-EP2284179A2

936-EP2286811A1

936-EP2286915A2

936-EP2287141A1

936-EP2287147A2

936-EP2287152A2

936-EP2287153A1

936-EP2287154A1

936-EP2287155A1

936-EP2287156A1

936-EP2287160A1

936-EP2287161A1

936-EP2287162A1

936-EP2287165A2

936-EP2287166A2

936-EP2287167A1

936-EP2287168A2

936-EP2287940A1

936-EP2289509A2

936-EP2289510A1

936-EP2289868A1

936-EP2289871A1

936-EP2289876A1

936-EP2289877A1

936-EP2289878A1

936-EP2289879A1

936-EP2289883A1

936-EP2289884A1

936-EP2289885A1

936-EP2289887A2

936-EP2289888A2

936-EP2289890A1

936-EP2289892A1

936-EP2289893A1

936-EP2289894A2

936-EP2289965A1

936-EP2292088A1

936-EP2292227A2

936-EP2292228A1

936-EP2292234A1

936-EP2292280A1

936-EP2292576A2

936-EP2292586A2

936-EP2292589A1

936-EP2292592A1

936-EP2292593A2

936-EP2292595A1

936-EP2292596A2

936-EP2292597A1

936-EP2292599A1

936-EP2292606A1

936-EP2292607A2

936-EP2292609A1

936-EP2292610A1

936-EP2292611A1

936-EP2292612A2

936-EP2292613A1

936-EP2292614A1

936-EP2292615A1

936-EP2292617A1

936-EP2292619A1

936-EP2292620A2

936-EP2292621A1

936-EP2292622A1

936-EP2292624A1

936-EP2292628A2

936-EP2292630A1

936-EP2295055A2

936-EP2295401A2

936-EP2295402A2

936-EP2295406A1

936-EP2295407A1

936-EP2295408A1

936-EP2295409A1

936-EP2295411A1

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936-EP2295415A1

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936-EP2295438A1

936-EP2295439A1

936-EP2295441A2

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936-EP2298313A1

936-EP2298729A1

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936-EP2298735A1

936-EP2298736A1

936-EP2298738A1

936-EP2298742A1

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936-EP2298745A1

936-EP2298746A1

936-EP2298747A1

936-EP2298748A2

936-EP2298750A1

936-EP2298751A2

936-EP2298752A1

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936-EP2298754A1

936-EP2298755A1

936-EP2298756A1

936-EP2298757A2

936-EP2298758A1

936-EP2298759A1

936-EP2298761A1

936-EP2298763A1

936-EP2298764A1

936-EP2298765A1

936-EP2298766A1

936-EP2298767A1

936-EP2298768A1

936-EP2298770A1

936-EP2298772A1

936-EP2298774A1

936-EP2298775A1

936-EP2298776A1

936-EP2298777A2

936-EP2298778A1

936-EP2298779A1

936-EP2298828A1

936-EP2299326A1

936-EP2299510A1

936-EP2301533A1

936-EP2301536A1

936-EP2301538A1

936-EP2301627A1

936-EP2301909A1

936-EP2301911A1

936-EP2301918A1

936-EP2301921A1

936-EP2301922A1

936-EP2301923A1

936-EP2301924A1

936-EP2301925A1

936-EP2301926A1

936-EP2301928A1

936-EP2301929A1

936-EP2301930A1

936-EP2301931A1

936-EP2301932A1

936-EP2301933A1

936-EP2301934A1

936-EP2301935A1

936-EP2301936A1

936-EP2301937A1

936-EP2301938A1

936-EP2301939A1

936-EP2301940A1

936-EP2301983A1

936-EP2302003A1

936-EP2302382A2

936-EP2302383A2

936-EP2305243A1

936-EP2305248A1

936-EP2305250A1

936-EP2305254A1

936-EP2305625A1

936-EP2305627A1

936-EP2305629A1

936-EP2305633A1

936-EP2305636A1

936-EP2305640A2

936-EP2305641A1

936-EP2305642A2

936-EP2305643A1

936-EP2305644A1

936-EP2305646A1

936-EP2305647A1

936-EP2305648A1

936-EP2305649A1

936-EP2305650A1

936-EP2305651A1

936-EP2305652A2

936-EP2305655A2

936-EP2305657A2

936-EP2305658A1

936-EP2305659A1

936-EP2305660A1

936-EP2305663A1

936-EP2305664A1

936-EP2305666A1

936-EP2305667A2

936-EP2305668A1

936-EP2305669A1

936-EP2305670A1

936-EP2305671A1

936-EP2305672A1

936-EP2305673A1

936-EP2305674A1

936-EP2305675A1

936-EP2305676A1

936-EP2305677A1

936-EP2305680A2

936-EP2305682A1

936-EP2305683A1

936-EP2305684A1

936-EP2305685A1

936-EP2305686A1

936-EP2305687A1

936-EP2305688A1

936-EP2305689A1

936-EP2305695A2

936-EP2305696A2

936-EP2305697A2

936-EP2305698A2

936-EP2305769A2

936-EP2305808A1

936-EP2305825A1

936-EP2308471A1

936-EP2308479A2

936-EP2308510A1

936-EP2308562A2

936-EP2308812A2

936-EP2308828A2

936-EP2308832A1

936-EP2308833A2

936-EP2308838A1

936-EP2308839A1

936-EP2308841A2

936-EP2308842A1

936-EP2308843A1

936-EP2308844A2

936-EP2308845A2

936-EP2308846A2

936-EP2308847A1

936-EP2308848A1

936-EP2308849A1

936-EP2308850A1

936-EP2308851A1

936-EP2308853A1

936-EP2308854A1

936-EP2308855A1

936-EP2308857A1

936-EP2308858A1

936-EP2308861A1

936-EP2308862A1

936-EP2308864A1

936-EP2308865A1

936-EP2308867A2

936-EP2308868A1

936-EP2308869A1

936-EP2308870A2

936-EP2308871A1

936-EP2308872A1

936-EP2308873A1

936-EP2308874A1

936-EP2308875A1

936-EP2308876A1

936-EP2308877A1

936-EP2308879A1

936-EP2308880A1

936-EP2308882A1

936-EP2308926A1

936-EP2308960A1

936-EP2309564A1

936-EP2309584A1

936-EP2311453A1

936-EP2311455A1

936-EP2311464A1

936-EP2311494A1

936-EP2311796A1

936-EP2311797A1

936-EP2311798A1

936-EP2311799A1

936-EP2311801A1

936-EP2311802A1

936-EP2311803A1

936-EP2311805A1

936-EP2311806A2

936-EP2311807A1

936-EP2311808A1

936-EP2311809A1

936-EP2311810A1

936-EP2311811A1

936-EP2311812A1

936-EP2311813A1

936-EP2311814A1

936-EP2311815A1

936-EP2311816A1

936-EP2311817A1

936-EP2311818A1

936-EP2311820A1

936-EP2311821A1

936-EP2311822A1

936-EP2311823A1

936-EP2311824A1

936-EP2311825A1

936-EP2311827A1

936-EP2311828A1

936-EP2311829A1

936-EP2311830A1

936-EP2311831A1

936-EP2311832A1

936-EP2311833A1

936-EP2311834A1

936-EP2311836A1

936-EP2311837A1

936-EP2311839A1

936-EP2311840A1

936-EP2311841A1

936-EP2311842A2

936-EP2311850A1

936-EP2314295A1

936-EP2314558A1

936-EP2314571A2

936-EP2314574A1

936-EP2314575A1

936-EP2314576A1

936-EP2314577A1

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949-EP2281822A1

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949-EP2292617A1

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949-EP2301932A1

949-EP2301940A1

949-EP2305646A1

949-EP2305695A2

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949-EP2308867A2

949-EP2308870A2

949-EP2308876A1

949-EP2311494A1

949-EP2311840A1

949-EP2311841A1

949-EP2314576A1

949-EP2316824A1

949-EP2316832A1

949-EP2316833A1

949-EP2380871A1

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)

Microorganism:

Yes

IUPAC name

ethyl acetate

SMILES

CCOC(=O)C

Inchi

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

Formula

CH₃COOC₂H₅

PubChem ID

8857

Molweight

88.106

LogP

0.28

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

Esters

mVOC Specific Details

Volatilization

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

Soil Adsorption

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

Vapor Pressure

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

MS-Links

1D-NMR-Links

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

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

Microorganisms emitting the compound

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

Method

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

1,4-dimethoxybenzene

Mass-Spectra

Compound Details

Synonymous names

Dimethylether hydrochinonu

Dimethylhydroquinone ether

Dimethyl hydroquinone

Dimethylhydroquinone; Hydroquinone dimethyl ether

Dimethyl ether hydroquinone

HYDROQUINONE DIMETHYL ETHER

OHBQPCCCRFSCAX-UHFFFAOYSA-N

p-Dimethoxybenzene

p-Methoxyanisole

4-Methoxyanisole

Quinol dimethyl ether

Hydroquinone, dimethyl ether

Methyl p-methoxyphenyl ether

p-dimethoxy benzene

AC1Q4FES

Dimethylether hydrochinonu [Czech]

Methyl 4-methoxyphenyl ether

1,4-Dimethoxybenzene

AC1L1S4V

1,4-Dimethoxybenzol

SCHEMBL8489

4-Methoxyphenol, methyl ether

K896

KSC175M9L

1,4-Dimethoxybenzene, analytical standard

ACMC-1C1E3

NSC7483

USAF AN-9

1,4-dimethoxy benzene

1,4-dimethoxy-benzene

24WC6T6X0G

4-Methoxyanisole;Anisole, p-methoxy

BDBM36302

Benzene, p-dimethoxy-

BENZENE,1,4-DIMETHOXY

CTK0H5695

D0629

T7424

1,4-dimethoxy-benzen

Anisole, p-methoxy-

AS06962

LS-878

RP20443

STR02500

CCRIS 5920

HMS2270C23

HSDB 4259

UNII-24WC6T6X0G

ZINC388747

AK109309

BBL003611

CHEMBL1668604

DTXSID0022014

Jsp002876

NSC 7483

NSC-7483

OR034548

SBB060067

STK065405

ZB011683

2-Benzimidazolinone,3-bis(hydroxymethyl)-

Benzene,1,4-dimethoxy-

DSSTox_CID_2014

Hydroquinone dimethyl ether (1,4-Dimethoxybenzene)

USAF uctl-1791

AB1003116

AJ-20759

AN-23314

ANW-21298

DSSTox_GSID_22014

KB-10592

SCHEMBL12015220

ST2403009

TRA0083185

WLN: 1OR DO1

DSSTox_RID_76460

MFCD00008401

ZINC00388747

AI3-24139

DB-013768

RTR-033046

ST51046314

TL80073944

TR-033046

AKOS000119956

Benzene, 1,4-dimethoxy-

I14-7639

W-108072

Z53833835

FEMA No. 2386

FT-0606887

MLS002454408

SMR001252207

2-Benzimidazolinone, 1,3-bis(hydroxymethyl)

Tox21_201333

Tox21_302782

150-78-7

F1908-0181

MCULE-5232933383

NCGC00091220-01

NCGC00091220-02

NCGC00091220-03

NCGC00256564-01

NCGC00258885-01

WLN: T56 BNVNJ B1Q D1Q

1,4-Dimethoxybenzene, 99%, FG

CAS-150-78-7

EINECS 205-771-9

1,4-Dimethoxybenzene, ReagentPlus(R), 99%

MolPort-001-768-565

1,4-Dimethoxybenzene, Vetec(TM) reagent grade, 98%

HYDROQUINONE DIMETHYL ETHER (SEE ALSO: HYDROQUINONE MONOMETHYL ETHER (CAS 150-76-5))

InChI=1/C8H10O2/c1-9-7-3-5-8(10-2)6-4-7/h3-6H,1-2H

Microorganism:

Yes

IUPAC name

1,4-dimethoxybenzene

SMILES

COC1=CC=C(C=C1)OC

Inchi

InChI=1S/C8H10O2/c1-9-7-3-5-8(10-2)6-4-7/h3-6H,1-2H3

Formula

C₈H₁₀O₂

PubChem ID

9016

Molweight

138.166

LogP

1.66

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

Benzenoids Ethers

mVOC Specific Details

Volatilization

The Henry's Law constant for hydroquinone dimethyl ether is estimated as 3.5X10-3 atm-cu m/mole(1,SRC). This value indicates that hydroquinone dimethyl ether may volatilize from water surfaces(2,SRC). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep, flowing 1 m/sec) is estimated as approximately 4 hours(2,SRC). The volatilization half-life from a model lake (1 m deep) is estimated as approximately 5 days(2,SRC).
Literature: (1) Meylan W, 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 p. 15-1 to 15-29 (1990)

Soil Adsorption

Based on an experimental log Kow of 2.03(1), the Koc of hydroquinone dimethyl ether is estimated as approximately 300 using a regression-derived equation(2,SRC). According to a suggested classification scheme(3), this estimated Koc value suggests that hydroquinone dimethyl ether will have moderate mobility in soil(SRC).
Literature: (1) Hansch C et al; Exploring QSAR: Hydrophobic, Electronic, and Steric Constants. ACS Profess Ref Book, Washington,DC: Amer Chem Soc (1995) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington DC: Amer Chem Soc pp. 4-9 (1990) (3) Swann RL et al; Res Rev 85: 23 (1983)

Vapor Pressure

Pressure	Reference
Vapor pressure: 8.7X10-2 mm Hg at 25 deg C(est)	Lyman WJ; p 31 in Environmental Exposure From Chemicals Vol I, Neely WB, Blau GE(eds), Boca Raton, FL: CRC Press, p 31 (1985)

MS-Links

MS-MS Spectrum 87738

MS-MS Spectrum 87739

MS-MS Spectrum 150303

MS-MS Spectrum 150304

MS-MS Spectrum 150305

MS-MS Spectrum 87740

Microorganisms emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Bacteria	Chondromyces Crocatus	n/a		Schulz and Dickschat, 2007
Fungi	Tuber Brumale		Fortywoodland of the Basilicata region	Mauriello et al., 2004
Bacteria	Chondromyces Crocatus Cm C2	n/a		Schulz et al., 2004
Bacteria	Chondromyces Crocatus Cm C5	n/a		Schulz et al., 2004

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Bacteria	Chondromyces Crocatus	n/a	n/a
Fungi	Tuber Brumale		microextractionâ€“gas chromatographyâ€“mass spectrometry analysis (SPMEâ€“GCâ€“MS)	No
Bacteria	Chondromyces Crocatus Cm C2	n/a	n/a
Bacteria	Chondromyces Crocatus Cm C5	n/a	n/a

3-methylbutanal

Mass-Spectra

Compound Details

Synonymous names

Isovalerylaldehyde

ISOVALERALDEHYDE

Aldehyde isovalerianique

beta-Methylbutyraldehyde

Isoamylaldehyde

Isopentaldehyde

ISOVALERALDEHYDE,TECH

Isopentanal

Isovaleral

Isovaleraldehyde, analytical standard

Isovaleric aldehyde

beta-Methylbutanal

Iso-Valeraldehyde

YGHRJJRRZDOVPD-UHFFFAOYSA-N

3-Methylbutylaldehyde

3-Methylbutyraldehyde

b-Methylbutanal

Isoamyl aldehyde

Methyl butanal

3-Methylbutanal

3-Methyl butyraldehyde

3-methyl-Butyraldehyde

AC1L1XLJ

ACMC-1ATPF

Aldehyde isovalerianique [French]

.beta.-Methylbutanal

3-methyl butanal

3-Methyl-Butanal

AC1Q1P7B

iso-C4H9CHO

Isovaleraldehyde, 97%

3-Methylbutyraldehyde (natural)

2-Methylbutanal-4

Butanal, methyl-

KSC270C4R

CHEMBL18360

CTK1H0148

HMDB06478

HSDB 628

I0192

Z4917

Butyraldehyde, 3-methyl-

RP18454

3-Methyl-1-butanal

3-Methylbutan-1-al

C07329

CCRIS 2945

Isovaleraldehyde, >=97%, FG

ZINC896832

AK130482

BBL027631

DTXSID1021619

LS-2913

MP-2148

NSC404119

OR000198

OR111347

OR290748

STL146355

WLN: VH1Y1&1

Butanal, 3-methyl-

CHEBI:16638

DSSTox_CID_1619

69931RWI96

AN-21530

ANW-33143

CJ-04498

DSSTox_GSID_21619

EBD2211673

KB-77969

SC-27291

TRA0100272

BB_NC-2289

BDBM50028832

DSSTox_RID_76239

Isovaleraldehyde, natural, >=95%, FG

MFCD00007014

ZINC00896832

AI3-16106

NSC 404119

NSC-404119

RTR-030709

TR-030709

UNII-69931RWI96

AKOS000118930

I14-2596

J-512894

BRN 0773692

FEMA No. 2692

FT-0627530

1-Butanal, 3-methyl-

Tox21_200891

590-86-3

F2190-0631

NCGC00248867-01

NCGC00258445-01

CAS-590-86-3

EINECS 209-691-5

6398-EP2374783A1

6398-EP2377841A1

6398-EP2380871A1

MolPort-001-787-528

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

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

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

Microorganism:

Yes

IUPAC name

3-methylbutanal

SMILES

CC(C)CC=O

Inchi

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

Formula

(CH₃)₂CHCH₂CHO

PubChem ID

11552

Molweight

86.134

LogP

1.05

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

Aldehydes

mVOC Specific Details

Volatilization

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

Soil Adsorption

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

Vapor Pressure

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

MS-Links

MS-MS Spectrum 21509

MS-MS Spectrum 18182

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

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

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

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

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

1D-NMR-Links

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

Microorganisms emitting the compound

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

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Bacteria	Serratia Spp. B2675	n/a	n/a
Bacteria	Serratia Spp. B675	n/a	n/a
Fungi	Saccharomyces Cerevisiae Y1001	n/a	n/a
Bacteria	Coagulase Negative Staphylococci		GCMS DSQ	no
Bacteria	Escherichia Coli		GCMS DSQ	no
Bacteria	L Isteria Monocytogenes		HS-SPME/GC-MS
Bacteria	Staphylococcus Aureus		GCMS DSQ	no
Bacteria	Streptococcus Dysgalactiae		GCMS DSQ	no
Fungi	Tuber Aestivum		HS-SPME/GC-MS	Yes
Bacteria	Staphylococcus Aureus ATCC 6538	Trypticase Soy Broth (TSB)	HS-SPME/'GC-MS	no
Fungi	Tuber Aestivum	n/a	Headspace solid-phase microextraction (HS-SPME) combined with GC-MS
Fungi	Tuber Melanosporum	n/a	Headspace solid-phase microextraction (HS-SPME) combined with GC-MS
Bacteria	Citrobacter Freundii	tryptic soy broth	SPME, GC-MS	yes
Bacteria	Klebsiella Pneumoniae	tryptic soy broth	SPME, GC-MS	yes
Bacteria	Lactobacillus Helveticus CIRM449	curd-based broth medium	GC/MS	Yes
Bacteria	Staphylococcus Aureus	Mueller Hinton broth	HS-SPME/GC-MS
Bacteria	Staphylococcus Epidermidis	CLSA, charcoal, GC-MS		no
Bacteria	Staphylococcus Sciuri	865 liquid medium	SPME-GC/MS
Bacteria	Staphylococcus Sp.	n/a	n/a
Fungi	Fusarium Graminearum 15AcDON	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum 15AcDON 1001ta	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum 15AcDON ZFR 29	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum 15AcDON_4	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum 15AcDON_5	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum 15AcDON_6	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum 15AcDON_7	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum 15AcDON_8	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum 15AcDON_9	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum 3AcDON 1002t	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum 3AcDON 11791	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum 3AcDON 1509	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum 3AcDON 8046	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum 3AcDON NRRL38369	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum 3AcDON NRRL6394	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum 3AcDON ZFR 15	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum 3AcDON ZFR 37	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum 3AcDON ZFR 51	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum NIV	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum NIV 357	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum NIV ZFR 119	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum NIV ZFR 23	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum NIV ZFR 48	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum NIV_5	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum NIV_6	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum NIV_7	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum NIV_8	yeast extract sucrose agar	SPME/GC-MS
Fungi	Trichoderma Viride	Malt extract agar	Headspace volatiles collected with colomn/TD-GC-MS	Yes
Fungi	Tuber Aestivum	n/a	microextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)
Fungi	Tuber Borchii	n/a	microextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)
Fungi	Tuber Brumale	n/a	microextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)
Fungi	Tuber Excavatum	n/a	microextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)
Fungi	Tuber Indicum	n/a	n/a
Fungi	Tuber Magnatum	n/a	microextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)
Fungi	Tuber Melanosporum	n/a	n/a
Fungi	Tuber Mesentericum	n/a	microextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)
Fungi	Tuber Oligospermum	n/a	microextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)
Fungi	Tuber Panniferum	n/a	microextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)
Fungi	Tuber Uncinatum	n/a	SPME-GC-MS
Bacteria	Bacillus Amyloliquefaciens IN937a	Tryptic soy agar	SPME coupled with GC-MS
Bacteria	Bacillus Subtilis GB03	Tryptic soy agar	SPME coupled with GC-MS
Bacteria	Paenibacillus Polymyxa E681	Tryptic soy agar	SPME coupled with GC-MS
Fungi	Tuber Mesentericum	n/a	Pressure balanced head-space sampling and GC/TOF-MS
Fungi	Tuber Miesentericum		Pressure balanced head-space sampling and GC/TOF-MS	No
Fungi	Muscodor Albus CZ-620	n/a	Headspace sampler/GC-MS
Fungi	Aspergillus Sp.			no
Fungi	Fusarium Sp.			no

Methyl Butanoate

Mass-Spectra

Compound Details

Synonymous names

UUIQMZJEGPQKFD-UHFFFAOYSA-N

Methyl butanoate

Methyl butyrate

methyl 3-methylpropionate

Methyl butyrate, analytical standard

Methyl n-butanoate

Butyric acid methyl

Nat.Methyl Butyrate

Butanoicacid, methyl ester

Butanoic acid methyl ester

METHYL N-BUTYRATE

Methyl-n-butyrate

Butyric acid methyl ester

AC1L1Z0X

Methyl ester of butanoic acid

n-Butyric acid methyl ester

Butyric acid, methyl ester

Butanoic acid, methyl ester

Methyl butyrate (natural)

KSC492E1L

n-C3H7COOCH3

NSC9380

CHEMBL15859

SCHEMBL13685

UN1237

B0763

CTK3J2215

S0302

ACMC-209t4w

NE61132

RP18773

Methyl butyrate, 99%

ZINC404765

HSDB 5721

WLN: 3VO1

CGX598508O

DTXSID5047083

Methyl butyrate, certified reference material, TraceCERT(R)

SBB061104

OR010874

LS-2914

NSC 9380

NSC-9380

ZB013579

UN 1237

CHEBI:88806

UNII-CGX598508O

TRA0052853

SC-74735

CJ-04054

ANW-42030

TL8004117

DSSTox_GSID_47083

AN-22009

n-Butyric acid methyl ester [standard material]

KB-54743

MFCD00009391

ZINC00404765

DSSTox_CID_27083

DSSTox_RID_82095

LMFA07010528

Methyl butyrate, >=98%, FG

RTR-021432

ST51047170

TR-021432

AI3-06009

AKOS008907317

J-522595

FT-0628708

FEMA No. 3693

FEMA No. 2693

BRN 1740743

I14-19354

Tox21_301821

Methyl butyrate, natural, >=98%, FG

623-42-7

NCGC00256040-01

MCULE-1092030267

CAS-623-42-7

EINECS 210-792-1

Methyl butyrate [UN1237] [Flammable liquid]

WE(1:0/4:0)

MolPort-003-927-474

36683-EP2311803A1

Methyl butyrate [UN1237] [Flammable liquid]

36683-EP2371814A1

36683-EP2311802A1

36683-EP2311801A1

36683-EP2305825A1

36683-EP2305642A2

4-02-00-00786 (Beilstein Handbook Reference)

5ADC8486-F8C0-4A7A-ACD5-2234D52DE6E0

InChI=1/C5H10O2/c1-3-4-5(6)7-2/h3-4H2,1-2H

Microorganism:

Yes

IUPAC name

methyl butanoate

SMILES

CCCC(=O)OC

Inchi

InChI=1S/C5H10O2/c1-3-4-5(6)7-2/h3-4H2,1-2H3

Formula

C₅H₁₀O₂

PubChem ID

12180

Molweight

102.133

LogP

1.07

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

Esters

mVOC Specific Details

Volatilization

The Henry's Law constant for methyl n-butyrate is 2.05X10-4 atm-cu m/mole(1). This Henry's Law constant indicates that methyl n-butyrate 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 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)(2) is estimated as 5 days(SRC). Methyl n-butyrate's Henry's Law constant(1) indicates that volatilization from moist soil surfaces may occur(SRC). The potential for volatilization of methyl n-butyrate from dry soil surfaces may exist(SRC) based upon a vapor pressure of 32.3 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) Yaws CL; Handbook of Vapor Pressure. Vol 2 C5-C7 Compounds. Houston, TX: Gulf Pub Co (1994)

Soil Adsorption

The Koc of methyl n-butyrate is estimated as 120(SRC), using a log Kow of 1.29(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that methyl n-butyrate is expected to have high mobility in soil(SRC).
Literature: (1) Hansch C et al; Exploring QSAR. Hydrophobic, Electronic, and Steric Constants. ACS Prof Ref Book. Heller SR, consult. ed., Washington, DC: Amer Chem Soc p. 14 (1995) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 4-9 (1990) (3) Swann RL et al; Res Rev 85: 17-28 (1983)

Vapor Pressure

Pressure	Reference
32.3 mm Hg @ 25 deg C	Yaws CL; Handbook of Vapor Pressure. Vol 2 C5-C7 Compounds. Houston, TX: Gulf Pub Co (1994)

MS-Links

MS-MS Spectrum 96886

MS-MS Spectrum 161482

MS-MS Spectrum 96885

MS-MS Spectrum 96887

MS-MS Spectrum 161483

MS-MS Spectrum 161481

Microorganisms emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Bacteria	Pseudomonas Flureorescens SBW25			Cheng et al. 2016
Bacteria	Ralstonia Solanacearum	na	na	Spraker et al., 2014
Fungi	Tuber Simonea	None	None	March et al., 2006
Fungi	Tuber Aestivum	n/a	Ayme Truffe of Grignan, 26230 France	March et al., 2006
Fungi	Tuber Brumale	n/a	Ayme Truffe of Grignan, 26230 France	March et al., 2006
Fungi	Tuber Melanosporum	n/a	Ayme Truffe of Grignan, 26230 France	March et al., 2006
Fungi	Tuber Mesentericum	n/a	Ayme Truffe of Grignan, 26230 France	March et al., 2006
Fungi	Tuber Miesentericum	None	None	March et al., 2006
Fungi	Tuber Rufum	n/a	Ayme Truffe of Grignan, 26230 France	March et al., 2006
Fungi	Tuber Simonea	n/a	Ayme Truffe of Grignan, 26230 France	March et al., 2006
Bacteria	Actinomycetes Spp.	n/a		Schulz and Dickschat, 2007
Bacteria	Streptomyces Ciscaucasicus W214	potentially involved in antifungal activity		Cordovez et al., 2015
Bacteria	Streptomyces Ciscaucasicus W47	potentially involved in antifungal activity		Cordovez et al., 2015
Bacteria	Streptomyces Antibioticus ETH 22014	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Aureofaciens ETH 13387	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Coelicolor ATCC 21666	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Hirsutus ATCC 19773	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Hygroscopicus ATCC 27438	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Hygroscopicus IFO 13255	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Murinus DSM 40091	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Murinus NRRL 8171	n/a		Schoeller et al., 2002
Bacteria	Streptomyces Thermoviolaceus CBS 111.62	n/a		Schoeller et al., 2002

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Bacteria	Pseudomonas Flureorescens SBW25	Kings B + rif,+kann; PDA	GC-Q-TOF-MS	no
Bacteria	Ralstonia Solanacearum	Casamino Acid Peptone Glucose agar	SPME-GC/MS	No
Fungi	Tuber Simonea	None	Pressure balanced head-space sampling and GC/TOF-MS	No
Fungi	Tuber Aestivum	n/a	Pressure balanced head-space sampling and GC/TOF-MS
Fungi	Tuber Brumale	n/a	Pressure balanced head-space sampling and GC/TOF-MS
Fungi	Tuber Melanosporum	n/a	Pressure balanced head-space sampling and GC/TOF-MS
Fungi	Tuber Mesentericum	n/a	Pressure balanced head-space sampling and GC/TOF-MS
Fungi	Tuber Miesentericum	None	Pressure balanced head-space sampling and GC/TOF-MS	No
Fungi	Tuber Rufum	n/a	Pressure balanced head-space sampling and GC/TOF-MS
Fungi	Tuber Simonea	n/a	Pressure balanced head-space sampling and GC/TOF-MS
Bacteria	Actinomycetes Spp.	n/a	n/a
Bacteria	Streptomyces Ciscaucasicus W214	GA-medium	SPME/GC-MS
Bacteria	Streptomyces Ciscaucasicus W47	GA-medium	SPME/GC-MS
Bacteria	Streptomyces Antibioticus ETH 22014	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS
Bacteria	Streptomyces Aureofaciens ETH 13387	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS
Bacteria	Streptomyces Coelicolor ATCC 21666	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS
Bacteria	Streptomyces Hirsutus ATCC 19773	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS
Bacteria	Streptomyces Hygroscopicus ATCC 27438	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS
Bacteria	Streptomyces Hygroscopicus IFO 13255	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS
Bacteria	Streptomyces Murinus DSM 40091	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS
Bacteria	Streptomyces Murinus NRRL 8171	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS
Bacteria	Streptomyces Thermoviolaceus CBS 111.62	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS

Results for: Species: Tuber brumale Signature

Acetaldehyde

Compound Details

mVOC Specific Details

Propan-2-one

Compound Details

mVOC Specific Details

Butan-1-ol

Compound Details

mVOC Specific Details

Ethanol

Compound Details

mVOC Specific Details

Methylsulfanylmethane

Compound Details

mVOC Specific Details

Toluene

Compound Details

mVOC Specific Details

2-methylpropan-1-ol

Compound Details

mVOC Specific Details

Propan-2-ol

Compound Details

mVOC Specific Details

2-methylpropanal

Compound Details

mVOC Specific Details

Butan-2-one

Compound Details

mVOC Specific Details

2-methylbutanal

Compound Details

mVOC Specific Details

Anisole

Compound Details

mVOC Specific Details

Ethyl Propanoate

Compound Details

mVOC Specific Details

Butan-2-yl Acetate

Compound Details

mVOC Specific Details

Ethyl Butanoate

Compound Details

mVOC Specific Details

2-methylbutan-1-ol

Compound Details

mVOC Specific Details

Ethyl Acetate

Compound Details

mVOC Specific Details

1,4-dimethoxybenzene

Compound Details

mVOC Specific Details

3-methylbutanal

Compound Details

mVOC Specific Details

Methyl Butanoate

Compound Details

mVOC Specific Details

Results for:
Species: Tuber brumale

Signature