Results for:
Species: Paecilomyces variotii Bain

3-methylbutan-1-ol

Mass-Spectra

Compound Details

Synonymous names
Isobutylcarbinol
isopentylalcohol
Isopentylalkohol
ISOAMYLALCOHOL
Isopentanol
Alcool isoamylique
Fuseloel
Isoamylol
Isobutyl carbinol
Isopentyl alcohol
PHTQWCKDNZKARW-UHFFFAOYSA-N
Amylowy alkohol
Fermentation amyl alcohol
Iso-amylalkohol
Isoamyl alcohol
Isoamyl alkohol
isoamyl-alcohol
Alcool amilico
Primary isoamyl alcohol
3-methylbutanoI
3-Methylbutanol
Fusel Oil
AC1Q7CHF
Iso-amyl alcohol
potato-spirit oil
ACMC-1ADLL
Huile de fusel
i-Amyl Alcohol
Isoamyl alcohol, primary
3-Methylbutanol, analytical standard
DEM9NIT1J4
3-methyl butanol
3-methyl-Butanol
3-Metil-butanolo
AC1L1L9D
AC1Q1PG0
ISOAMYL ALCOHOL, ACS
Alcool isoamylique [French]
isopentan-1-ol
UNII-DEM9NIT1J4
Alcool amilico [Italian]
Amylowy alkohol [Polish]
Iso-amylalkohol [German]
Isoamyl alcohol (natural)
KSC175S7D
1-Hydroxy-3-Methylbutane
7340AF
Isoamyl alkohol [Czech]
NATURAL ISOAMYL ALCOHOL - TECHNICAL GRADE
NSC1029
NSC7905
CTK0H5971
HMDB06007
HSDB 605
I0289
Isoamyl alcohol (primary and secondary)
NATURAL ISOAMYL ALCOHOL P & F
QSPL 002
3-methylbutane-1-ol
CHEMBL372396
DB02296
Isopentyl alcohol (8CI)
2-Methyl-4-butanol
3-methyl 1-butanol
3-Methyl-1-butanol
3-Methylbutan-1-ol
C07328
CCRIS 8806
ZINC896830
DTXSID3025469
FEMA Number 2057
Jsp001579
LP092178
LS-2837
NSC 1029
NSC-1029
NSC-7905
OR034211
OR210114
STL282718
UNII-2NK7O363Q6 component PHTQWCKDNZKARW-UHFFFAOYSA-N
ZB015111
3-Metil-butanolo [Italian]
Butanol, 3-methyl-
CHEBI:15837
DSSTox_CID_5469
3-Methyl-1-butanol, analytical standard
AN-22920
ANW-18132
DSSTox_GSID_25469
Isoamyl alcohol (3-methyl butanol)
KB-70935
3-Methyl-Butan-1-Ol
DSSTox_RID_77799
LMFA05000108
Magnesium bis(3-methylbutan-1-olate)
Methyl-3-butan-1-ol
MFCD00002934
ZINC00896830
AI3-15288
Isoamyl alcohol, >=98%, FG
RTR-003692
TR-003692
3-METHYL-1-BUTANOL, REAG
AKOS000118739
FEMA No. 2057
FT-0616032
TRA-0206228
1-Butanol, 3-methyl-
3-Methyl-1-butanol, mixture of isomers
Butan-1-ol, 3-methyl
I14-14690
Z955123582
Isoamyl alcohol, natural, >=98%, FG
Tox21_302359
WLN: Q2Y1 & 1
123-51-3
F0001-0367
3-Methyl-1-butanol, 98%
3-METHYL-BUTAN-(1)-OL
6423-06-9
MCULE-7411270401
NCGC00255329-01
CAS-123-51-3
EINECS 204-633-5
EINECS 229-179-5
3-Methyl-1-butanol, anhydrous, >=99%
3-Methyl-1-butanol, United States Pharmacopeia (USP) Reference Standard
3-Methyl-1-butanol, technical grade, 95%
3-Methylbutanol, BioReagent, for molecular biology, >=98.5%
1973-EP2281899A2
1973-EP2316937A1
3-Methyl-1-butanol, LR, >=98%
3-Methyl-1-butanol, reagent grade, 98%
MolPort-001-793-103
123-51-3 (Parent)
74374-EP2269986A1
74374-EP2308857A1
74374-EP2380568A1
3-Methyl-1-butanol, biotech. grade, >=99%
3-Methyl-1-butanol, ReagentPlus(R), >=99%
117932-EP2287147A2
117932-EP2298768A1
6423-06-9 (magnesium salt)
3-Methyl-1-butanol, ACS reagent, >=98.5%
3-Methyl-1-butanol, JIS special grade, >=98.0%
3-Methyl-1-butanol, SAJ first grade, >=96.0%
3-Methylbutanol, BioUltra, for molecular biology, >=99.0% (GC)
3-Methyl-1-butanol, p.a., 99.8%
3-Methyl-1-butanol, ACS, 98.5% min. 500ml
3-Methylbutanol, puriss. p.a., ACS reagent, >=98.5% (GC)
3-Methylbutanol, p.a., ACS reagent, reag. ISO, reag. Ph. Eur., 98.5%
InChI=1/C5H12O/c1-5(2)3-4-6/h5-6H,3-4H2,1-2H
IUPAC name3-methylbutan-1-ol
SMILESCC(C)CCO
InchiInChI=1S/C5H12O/c1-5(2)3-4-6/h5-6H,3-4H2,1-2H3
Formula(CH3)2CHCH2CH2OH
PubChem ID31260
Molweight88.15
LogP1.09
Atoms18
Bonds17
H-bond Acceptor1
H-bond Donor1
Chemical ClassificationAlcohols Alcohol

mVOC Specific Details

Volatilization
The Henry's Law constant for isopentanol is 1.41X10-5 atm-cu m/mol(1). Using this value for the Henry's Law constant, one can estimate that the volatilization half-life of isopentanol in a model river 1 m deep flowing at 1 m/s with a wind speed of 3 m/s is 2.55 days(2). Similarly, the half-life of isopentanol in a model lake 1 m deep with a 0.05 m/s current and a 0.5 m/s wind is 21 days(2). In view of isopentanol's relatively high vapor pressure, 2.37 mm Hg at 25 deg C(3) and moderate Henry's Law constant and low adsorptivity to soil, isopentanol would be expected to volatilize from dry and moist soil(SRC).
Literature: (1) Butler JAV et al; J Chem Soc 1935: 280-5 (1935) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. NY: McGraw-Hill Chapt 15 (1982) (3) Riddick JA et al; Organic Solvents 4th ed; pp. 221-2 NY: Wiley (1986)
Soil Adsorption
The Koc for isopentanol estimated from its water solubility, 26.7 mg/L(1), using recommended regression equations are 720(2) and 679(4). However, the chemicals used in developing these equations were mainly pesticides and their structures are not similar to isopentanol. The Koc for isopentanol estimated from molecular structure is 4(3). This should be a reasonable estimate for the Koc because it is close to the experimental value for the structurally similar chemical, 1-pentanol, 1.6(6). According to a suggested classification scheme(5), the estimated Kocs based on molecular structure suggests that isopentanol is very highly mobile in soil(SRC).
Literature: (1) Riddick JA et al; Organic Solvents 4th ed; pp. 211-2 NY: Wiley (1986) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. NY: McGraw-Hill Chapt 4 (1982) (3) Meylan WM et al; Environ Sci Technol 26: 1560-7 (1992) (4) Wauchope RD et al; Rev Environ Contam Toxicol 123: 1-155 (1991) (5) Swann RL et al; Res Rev 85: 17-28 (1983) (6) Gerstl Z, Helling CS; J Environ Sci Health B22: 55-69 (1987)
Vapor Pressure
PressureReference
2.37 mm Hg @ 25 deg CRiddick, J.A., W.B. Bunger, Sakano T.K. Techniques of Chemistry 4th ed., Volume II. Organic Solvents. New York, NY: John Wiley and Sons., 1985., p. 211
MS-Links
1D-NMR-Links

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaBacillus Amyloliquefaciens IN937an/aLee et al., 2012
BacteriaBacillus Subtilis GB03n/aLee et al., 2012
BacteriaChryseobacterium Sp. AD48nanaTyc et al., 2015
BacteriaLegionella Pneumophilacould serve as potential biomarkers to distinguish between viruses and bacteriaQader et al., 2015
BacteriaPaenibacillus Polymyxa E681n/aLee et al., 2012
FungiAscocoryne Sarcoides NRRL 50072n/aMallette et al. 2012
FungiMuscodor Albus CZ-620n/aCorcuff et al., 2011
FungiMuscodor Albus CZ-621rye grainsCorcuff et al., 2011
FungiMuscodor CrispansWild pineapple plant, Ananas ananassoidesMitchell et al., 2010
FungiPhoma Sp.n/aStrobel et al., 2014
FungiPhomopsis Sp.naendophyte of Odontoglossum sp.Singh et al., 2011
FungiTrichoderma Atroviriden/aCrutcher et al., 2013
FungiTrichoderma Virensn/aCrutcher et al., 2013
BacteriaArthrobacter Agilis UMCV2narhizosphere of maize plantsVelázquez-Becerra et al.,2011
FungiAspergillus Flavusn/aStotzky and Schenk, 1976
FungiBoletus Variegatusn/aStotzky and Schenk, 1976
FungiNeurospora Sitophila ATCC 46892n/aPastore et al.,1994
FungiNeurospora Sp.n/aPastore et al.,1994
BacteriaBacillus Cereus B-569n/aBlom et al., 2011
BacteriaBurkholderia Andropogonis LMG 2129n/aBlom et al., 2011
BacteriaBurkholderia Anthina LMG 20980n/aBlom et al., 2011
BacteriaBurkholderia Caledonica LMG 19076n/aBlom et al., 2011
BacteriaBurkholderia Caryophylli LMG 2155n/aBlom et al., 2011
BacteriaBurkholderia Cepacia LMG 1222n/aBlom et al., 2011
BacteriaBurkholderia Cepacia LMG 1222 358RhizosphereBlom et al., 2011
BacteriaBurkholderia Fungorum LMG 16225n/aBlom et al., 2011
BacteriaBurkholderia Gladioli LMG 2216n/aBlom et al., 2011
BacteriaBurkholderia Glathei LMG 14190n/aBlom et al., 2011
BacteriaBurkholderia Glumae LMG 2196n/aBlom et al., 2011
BacteriaBurkholderia Graminis LMG 18924n/aBlom et al., 2011
BacteriaBurkholderia Hospita LMG 20598n/aBlom et al., 2011
BacteriaBurkholderia Kururiensis LMG 19447n/aBlom et al., 2011
BacteriaBurkholderia Lata LMG 22485n/aBlom et al., 2011
BacteriaBurkholderia Lata LMG 6993n/aBlom et al., 2011
BacteriaBurkholderia Phenazinium LMG 2247n/aBlom et al., 2011
BacteriaBurkholderia Phenoliruptrix LMG 22037n/aBlom et al., 2011
BacteriaBurkholderia Phytofirmans LMG 22487n/aBlom et al., 2011
BacteriaBurkholderia Pyrrocinia LMG 21822n/aBlom et al., 2011
BacteriaBurkholderia Sacchari LMG 19450n/aBlom et al., 2011
BacteriaBurkholderia Sordidicola LMG 22029n/aBlom et al., 2011
BacteriaBurkholderia Terricola LMG 20594n/aBlom et al., 2011
BacteriaBurkholderia Thailandensis LMG 20219n/aBlom et al., 2011
BacteriaBurkholderia Tropica LMG 22274n/aBlom et al., 2011
BacteriaBurkholderia Xenovorans LMG 21463n/aBlom et al., 2011
BacteriaCellulomonas Udan/aBlom et al., 2011
BacteriaChromobacterium Violaceum CV0n/aBlom et al., 2011
BacteriaCitrobacter FreundiiAmerican Type Culture Collection Robacker and Bartelt 1997
BacteriaCupriavidus Necator LMG 1199n/aBlom et al., 2011
BacteriaEnterobacter AgglomeransAmherst collectionEpsky et al. 1998
BacteriaEnterobacter Cloacaen/aArnold and Senter, 1998
BacteriaEnterobacter Cloacae SM 639naubiquitary,intestinalSchoeller et al., 1997
BacteriaEscherichia Colin/aTait et al., 2014
BacteriaEscherichia Coli ATCC15547American Type Culture Collection (ATCC), Rockville, MD or wild strains identified at the University of Kentucky Dept. of Animal Sciences Food Microbiology LaboratoryElgaali et al. 2002
BacteriaEscherichia Coli OP50n/aBlom et al., 2011
BacteriaHaemophilus Influenzaehumans, respiratory infectionsAbd El Qader et al. 2015
BacteriaKlebsiella Pneumoniaen/aTait et al., 2014
BacteriaKlebsiella Pneumoniae ATCC 13883Rees et al. 2017
BacteriaL Isteria Monocytogenesn/aArnold and Senter, 1998
BacteriaLactobacillus Caseifermented milkGallegos et al. 2017
BacteriaLactobacillus Lactis Subsp. CremorisSpanish strain collection CECTGallegos et al. 2017
BacteriaLactobacillus Lactis Subsp. LactisSpanish strain collection CECTGallegos et al. 2017
BacteriaLactobacillus Paracasei Subsp ParacaseiSpanish strain collection CECTGallegos et al. 2017
BacteriaLegionella Pneumophilahumans, respiratory infectionsAbd El Qader et al. 2015
BacteriaLimnobacter Thiooxidans LMG 19593n/aBlom et al., 2011
BacteriaMoraxella Catarrhalishumans, respiratory infectionsAbd El Qader et al. 2015
BacteriaMycobacterium Bovisn/aMCNerney et al., 2013
BacteriaPandoraea Norimbergensis LMG 18379n/aBlom et al., 2011
BacteriaPseudomonas Aeruginosan/aArnold and Senter, 1998
BacteriaPseudomonas Chlororaphisn/aBlom et al., 2011
BacteriaPseudomonas Fluorescens WCS 417rn/aBlom et al., 2011
BacteriaPseudomonas Perolens ATCC 10757nasterile fish muscle (Sebastes melanops)Miller et al., 1973
BacteriaPseudomonas Putida ISOfn/aBlom et al., 2011
BacteriaSalmonella Enteritidisn/aArnold and Senter, 1998
BacteriaSerratia Entomophilia A1MO2n/aBlom et al., 2011
BacteriaSerratia Marcescens MG1n/aBlom et al., 2011
BacteriaSerratia Plymuthica HRO-C48n/aBlom et al., 2011
BacteriaSerratia Plymuthica IC14n/aBlom et al., 2011
BacteriaSerratia Proteamaculans 42Mn/aErcolini et al., 2009
BacteriaSerratia Proteamaculans B5an/aBlom et al., 2011
BacteriaStaphylococcus Aureusn/aTait et al., 2014
BacteriaStaphylococcus EpidermidisDSMZVerhulst et al. 2010
BacteriaStaphylococcus Sciurinafrom the gut flora of pea aphid Acyrthosiphon pisum honeydewLeroy et al., 2011
BacteriaStenotrophomonas Rhizophilla Ep10-p69n/aBlom et al., 2011
BacteriaStreptomyces Albidoflavus AMI 246n/aSchoeller et al., 2002
BacteriaStreptomyces Albus Subsp. Pathocidicus IFO 13812n/aSchoeller et al., 2002
BacteriaStreptomyces Antibioticus CBS 659.68n/aSchoeller et al., 2002
BacteriaStreptomyces Antibioticus ETH 22014n/aSchoeller et al., 2002
BacteriaStreptomyces Aureofaciens ETH 13387n/aSchoeller et al., 2002
BacteriaStreptomyces Aureofaciens ETH 28832n/aSchoeller et al., 2002
BacteriaStreptomyces Coelicolor ATCC 21666n/aSchoeller et al., 2002
BacteriaStreptomyces Coelicolor DSM 40233n/aSchoeller et al., 2002
BacteriaStreptomyces Diastatochromogenes ETH 18822n/aSchoeller et al., 2002
BacteriaStreptomyces Diastatochromogenes IFO 13814n/aSchoeller et al., 2002
BacteriaStreptomyces Griseus ATCC 23345n/aSchoeller et al., 2002
BacteriaStreptomyces Griseus IFO 13849n/aSchoeller et al., 2002
BacteriaStreptomyces Hirsutus ATCC 19773n/aSchoeller et al., 2002
BacteriaStreptomyces Hirsutus ETH 1666n/aSchoeller et al., 2002
BacteriaStreptomyces Hygroscopicus ATCC 27438n/aSchoeller et al., 2002
BacteriaStreptomyces Hygroscopicus IFO 13255n/aSchoeller et al., 2002
BacteriaStreptomyces Murinus DSM 40091n/aSchoeller et al., 2002
BacteriaStreptomyces Murinus NRRL 8171n/aSchoeller et al., 2002
BacteriaStreptomyces Olivaceus ETH 6445n/aSchoeller et al., 2002
BacteriaStreptomyces Olivaceus ETH 7437n/aSchoeller et al., 2002
BacteriaStreptomyces Rishiriensis AMI 224n/aSchoeller et al., 2002
BacteriaStreptomyces Spp. AMI 240n/aSchoeller et al., 2002
BacteriaStreptomyces Thermoviolaceus CBS 111.62n/aSchoeller et al., 2002
BacteriaThermomonospora Fusca DSM 43792nasoilWilkins, 1996
FungiArmillaria Mellean/aMueller et al., 2013
FungiAspergillus Candiduscompost Fischer et al. 2052
FungiAspergillus Fumigatuscompost Fischer et al. 2052
FungiAspergillus Fumigatus Strain FGSC A1163Heddergott et al. 2014
FungiAspergillus Ornatusn/aMeruva et al., 2004
FungiAspergillus VersicolorSchleibinger et al.,2005
FungiAspergillus Versicolor Tiraboschinadamp indoor environments, food productsSunesson et al., 1995
FungiAspergillus Vesicolorcompost Fischer et al. 2052
FungiAureobasidium Pullulans FN868849attracts waspsisolated from apples (with lepidopteran orchard pests)Davis et al., 2012
FungiCandida Shehataecacti, fruits, insects, natural habitatsNout and Bartelt 1998
FungiChaetomium GlobosumSchleibinger et al.,2005
FungiEmericella Nidulanscompost Fischer et al. 2052
FungiEurotium AmstelodamiSchleibinger et al.,2005
FungiFusarium SpPierce et al. 1991
FungiHansenula Holstiiwhole beetles, beetle guts, loblolly pineBrand et al. 1977
FungiLaccaria Bicolorn/aMueller et al., 2013
FungiMortierella Isabellinamor horizon of a spruce forest soil southeastern SwedenBengtsson et al 1991
FungiPaecilomyces Variotiicompost Fischer et al. 2052
FungiPaecilomyces Variotii Bainnacompost, soils, food productsSunesson et al., 1995
FungiPaxillus Involutus MAJn/aMueller et al., 2013
FungiPaxillus Involutus NAUn/aMueller et al., 2013
FungiPencillium ChrysogenumNoneNoneMeruva et al., 2004
FungiPenicillium Aurantiogriseumn/aBoerjesson et al., 1990
FungiPenicillium BrevicompactumSchleibinger et al.,2005
FungiPenicillium Chrysogenumn/aMeruva et al., 2004
FungiPenicillium Clavigerumcompost Fischer et al. 2052
FungiPenicillium Commune Pittnain dry-cured meat products, cheeseSunesson et al., 1995
FungiPenicillium CorymbiferumPierce et al. 1991
FungiPenicillium Crustosumcompost Fischer et al. 2052
FungiPenicillium Glabrumcompost Fischer et al. 2052
FungiPenicillium Sp.n/aBjurman et al., 1997
FungiPhialophora Fastigiata ConantnanaSunesson et al., 1995
FungiPholiota Squarrosan/aMueller et al., 2013
FungiRhizopus Stolonifern/aMeruva et al., 2004
FungiSaccharomyces Cerevisiaegrape vineBecher et al. 2012
FungiSaccharomyces Cerevisiae CR1control citrus black spot disease fermentation processesToffano et al. 2017
FungiScolulariopsis BrevicaulisPierce et al. 1991
FungiStropharia Rugosoannulatan/aMueller et al., 2013
FungiTrichodema Pseudokoningiin/aWheatley et al., 1997
FungiTrichodema Viriden/aWheatley et al., 1997
FungiTrichoderma Viriden/aMueller et al., 2013
FungiTuber Aestivumn/aT. melanosporum was from the cultivated truffle zones in the province and T. aestivum from the natural truffle zones in the same regionCullere et al., 2010
FungiTuber Borchiin/aSplivallo et al., 2007
FungiTuber Excavatumn/aProf. Mattia Bentivenga (Università di Perugia, Perugia, Italy) and in the fortywoodland of the Basilicata regionMauriello et al., 2004
FungiTuber Indicumn/aSplivallo et al., 2007
FungiTuber Melanosporumn/aT. melanosporum was from the cultivated truffle zones in the province and T. aestivum from the natural truffle zones in the same regionCullere et al., 2010
FungiVerticillium Longisporumn/aMueller et al., 2013
FungiXylaria Sp.phytotoxic on the seed germination, root elongation and seedling respiration of Am. Hypochondriacus and S. lycopersicumHaematoxylon brasiletto, Morelos, MexicoSánchez-Ortiz et al., 2016
FungiAmpelomyces Sp. F-a-3nanaNaznin et al., 2014
FungiPhoma Sp. GS8-3nanaNaznin et al., 2014
FungiGeotrichum Candidumcompost mixed with milky fermented productZirbes et al. 2014
BacteriaActinomycetes Spp.Is an attractant of the Caribbean fruit fly Anastrepha suspensa. Schulz and Dickschat, 2007
BacteriaProteus Hauseri JN092591Nematicidal activitycow dungXU et al., 2015
BacteriaBacillus Amyloliquefaciens UCMB5113nanaAsari et al., 2016
BacteriaLactobacillus Rhamnosus LSL 212nanaPogačić et al., 2016
BacteriaSerratia Odorifera DSM 4582n/aWeise et al., 2014
BacteriaSerratia Proteamaculans 568n/aWeise et al., 2014
FungiPleurotus Eryngii Var. TuoliensisnanaUsami et al., 2014
BacteriaLactobacillus Casei NCIB 8010n/aTracey and Britz, 1989
BacteriaLactobacillus Plantarum NCIB 6376n/aTracey and Britz, 1989
BacteriaLactococcus Lactis DSM 20202n/aTracey and Britz, 1989
BacteriaLeuconostoc Cremoris DSM 20346n/aTracey and Britz, 1989
BacteriaLeuconostoc Dextranicum DSM 20484n/aTracey and Britz, 1989
BacteriaLeuconostoc Mesenteroides DSM 20343n/aTracey and Britz, 1989
BacteriaLeuconostoc Oenos B66n/aTracey and Britz, 1989
BacteriaLeuconostoc Oenos 19n/aTracey and Britz, 1989
BacteriaLeuconostoc Oenos 30n/aTracey and Britz, 1989
BacteriaLeuconostoc Oenos 36n/aTracey and Britz, 1989
BacteriaLeuconostoc Oenos 37Dn/aTracey and Britz, 1989
BacteriaLeuconostoc Oenos 7Bn/aTracey and Britz, 1989
BacteriaLeuconostoc Oenos DSM 20252n/aTracey and Britz, 1989
BacteriaLeuconostoc Oenos DSM 20255n/aTracey and Britz, 1989
BacteriaLeuconostoc Oenos DSM 20257n/aTracey and Britz, 1989
BacteriaLeuconostoc Oenos Lc5xn/aTracey and Britz, 1989
BacteriaLeuconostoc Paramesenteroides DSM 20288n/aTracey and Britz, 1989
BacteriaPediococcus Damnosus DSM 20331n/aTracey and Britz, 1989
BacteriaProteus Vulgaris Sp.nanaSu et al., 2016
BacteriaPseudochrobactrum Asaccharolyticum YMF3·00201nanaSu et al., 2016
BacteriaPseudomonas Putida BP25nablack pepper rootSheoran et al., 2015
BacteriaPseudomonas Putida BP25Rpositive influence of the plant root growth and protection against soil-borne pathogensSheoran et al., 2015
FungiVerticillium Longisporumcollection TU GrazRybakova et al. 2017
BacteriaClostridium Sp.n/aStotzky and Schenk, 1976
BacteriaCoagulase-negative Staphylococcin/aHettinga et al., 2008
BacteriaEscherichia Colimilk of cowsHettinga et al 2010
BacteriaSerratia Proteamaculans 94naspoiled meatPopova et al., 2014
BacteriaStreptococcus Dysgalactiaen/aHettinga et al., 2008
Fungi Chalaropsis ThielaviodesCollins 1961
FungiTrichoderma VirideHung et al., 2013
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaBacillus Amyloliquefaciens IN937aTryptic soy agarSPME coupled with GC-MS
BacteriaBacillus Subtilis GB03Tryptic soy agarSPME coupled with GC-MS
BacteriaChryseobacterium Sp. AD48Tryptic soy broth agarGC/MS-Q-TOFNo
BacteriaLegionella Pneumophilablood cultureSPME/GC-MS No
BacteriaPaenibacillus Polymyxa E681Tryptic soy agarSPME coupled with GC-MS
FungiAscocoryne Sarcoides NRRL 50072Minimal mediumPTR-MS and SPME GC-MS
FungiMuscodor Albus CZ-620n/aHeadspace sampler/GC-MS
FungiMuscodor Albus CZ-621Headspace sampler/GC-MSYes
FungiMuscodor Crispanspotato dextrose agarSPME-GC-MSYes
FungiPhoma Sp.n/aSolid phase microextraction (SPME)
FungiPhomopsis Sp.PDA mediumSPME-GC/MSYes
FungiTrichoderma AtroviridePotato dextrose agarHS-SPME/GC-MS
FungiTrichoderma VirensPotato dextrose agarHS-SPME/GC-MS
BacteriaArthrobacter Agilis UMCV2LB mediumSPME-GC/MSNo
FungiAspergillus Flavusn/an/a
FungiBoletus Variegatusn/an/a
FungiNeurospora Sitophila ATCC 46892Malt extractHeadspace/gas chromatography
FungiNeurospora Sp.Malt extractHeadspace/gas chromatography
BacteriaBacillus Cereus B-569LB and MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Andropogonis LMG 2129LB, MR-VP and MS Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Anthina LMG 20980LB and MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Caledonica LMG 19076LB and MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Caryophylli LMG 2155LB and MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Cepacia LMG 1222LB and MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Cepacia LMG 1222 358LB and MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)Yes
BacteriaBurkholderia Fungorum LMG 16225LB and MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Gladioli LMG 2216LB and MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Glathei LMG 14190MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Glumae LMG 2196LB and MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Graminis LMG 18924LB and MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Hospita LMG 20598LB and MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Kururiensis LMG 19447LB and MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Lata LMG 22485MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Lata LMG 6993LB and MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Phenazinium LMG 2247LB and MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Phenoliruptrix LMG 22037LB, MR-VP, MS and AngleHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Phytofirmans LMG 22487LB and MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Pyrrocinia LMG 21822LB, MR-VP and MS Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Sacchari LMG 19450LB and MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Sordidicola LMG 22029MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Terricola LMG 20594LB and MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Thailandensis LMG 20219LB and MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Tropica LMG 22274LB, MR-VP, MS and AngleHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Xenovorans LMG 21463LB and MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaCellulomonas UdaLB and MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaChromobacterium Violaceum CV0LB and MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaCitrobacter Freundiitryptic soy broth SPME, GC-MSyes
BacteriaCupriavidus Necator LMG 1199LB Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaEnterobacter AgglomeransTSAcapillary GCno
BacteriaEnterobacter CloacaeHS-SPME/GC-MS
BacteriaEnterobacter Cloacae SM 639AB medium + 1% citrateGC-FID,GC/MS
BacteriaEscherichia ColiBHI Broth/ TS Broth/Glucose EF base brothGC-MS /Polar and non-polar GC Column
BacteriaEscherichia Coli ATCC15547TS brothGC-MS Super Qno
BacteriaEscherichia Coli OP50LB and MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaHaemophilus Influenzaeblood culture mediumSPME-GC-MSno
BacteriaKlebsiella PneumoniaeBHI Broth/ TS Broth/Glucose EF base brothGC-MS /Polar and non-polar GC Column
BacteriaKlebsiella Pneumoniae ATCC 13883LBSPME / GCxGC-TOFMSno
BacteriaL Isteria MonocytogenesHS-SPME/GC-MS
BacteriaLactobacillus CaseiMRS agarGC-IMSyes
BacteriaLactobacillus Lactis Subsp. CremorisMRS agarGC-IMSyes
BacteriaLactobacillus Lactis Subsp. LactisMRS agarGC-IMSyes
BacteriaLactobacillus Paracasei Subsp ParacaseiMRS agarGC-IMSyes
BacteriaLegionella Pneumophilablood culture mediumSPME-GC-MSno
BacteriaLimnobacter Thiooxidans LMG 19593LB, MR-VP and MS Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaMoraxella Catarrhalisblood culture mediumSPME-GC-MSno
BacteriaMycobacterium BovisLoewenstein-Jensen mediaHeadspace analyze / SIFT-MS and TD-GC-MS.
BacteriaPandoraea Norimbergensis LMG 18379MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaPseudomonas AeruginosaHS-SPME/GC-MS
BacteriaPseudomonas ChlororaphisLB and MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaPseudomonas Fluorescens WCS 417rLB and MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaPseudomonas Perolens ATCC 10757Trypticase soil agar (BBL)GC/MS
BacteriaPseudomonas Putida ISOfLB and MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaSalmonella EnteritidisHS-SPME/GC-MS
BacteriaSerratia Entomophilia A1MO2LB and MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaSerratia Marcescens MG1LB and MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaSerratia Plymuthica HRO-C48LB, MR-VP and AngleHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaSerratia Plymuthica IC14LB, MR-VP and AngleHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaSerratia Proteamaculans 42Mn/an/a
BacteriaSerratia Proteamaculans B5aLB, MR-VP and AngleHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaStaphylococcus AureusBHI Broth/ TS Broth/Glucose EF base brothGC-MS /Polar and non-polar GC Column
BacteriaStaphylococcus EpidermidisCLSA, charcoal, GC-MSno
BacteriaStaphylococcus Sciuri869 liquid mediumSPME-GC/MS
BacteriaStenotrophomonas Rhizophilla Ep10-p69LB and MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaStreptomyces Albidoflavus AMI 246n/an/a
BacteriaStreptomyces Albus Subsp. Pathocidicus IFO 13812n/an/a
BacteriaStreptomyces Antibioticus CBS 659.68n/an/a
BacteriaStreptomyces Antibioticus ETH 22014n/an/a
BacteriaStreptomyces Aureofaciens ETH 13387n/an/a
BacteriaStreptomyces Aureofaciens ETH 28832n/an/a
BacteriaStreptomyces Coelicolor ATCC 21666n/an/a
BacteriaStreptomyces Coelicolor DSM 40233n/an/a
BacteriaStreptomyces Diastatochromogenes ETH 18822n/an/a
BacteriaStreptomyces Diastatochromogenes IFO 13814n/an/a
BacteriaStreptomyces Griseus ATCC 23345n/an/a
BacteriaStreptomyces Griseus IFO 13849n/an/a
BacteriaStreptomyces Hirsutus ATCC 19773n/an/a
BacteriaStreptomyces Hirsutus ETH 1666n/an/a
BacteriaStreptomyces Hygroscopicus ATCC 27438n/an/a
BacteriaStreptomyces Hygroscopicus IFO 13255n/an/a
BacteriaStreptomyces Murinus DSM 40091n/an/a
BacteriaStreptomyces Murinus NRRL 8171n/an/a
BacteriaStreptomyces Olivaceus ETH 6445n/an/a
BacteriaStreptomyces Olivaceus ETH 7437n/an/a
BacteriaStreptomyces Rishiriensis AMI 224n/an/a
BacteriaStreptomyces Spp. AMI 240n/an/a
BacteriaStreptomyces Thermoviolaceus CBS 111.62n/an/a
BacteriaThermomonospora Fusca DSM 43792Nutrient agar CM3GC/MS
FungiArmillaria MelleaMelin-Nor krans synthetic medium (modified)Headspace trapping ( using stir bar sorptive extraction )/ GC-MS
FungiAspergillus Candidusyest extract sucroseTenax/GC-MSno
FungiAspergillus Fumigatusyest extract sucroseTenax/GC-MSno
FungiAspergillus Fumigatus Strain FGSC A1163Brian`s broth, AMM, RPMI 1658SPME / GC-MS
FungiAspergillus OrnatusPotato dextrose agarClosedloop stripping analysis and GC/TOF-MS.
FungiAspergillus Versicoloringrain wallpaperGC/MS-SIMYes
FungiAspergillus Versicolor TiraboschiDG18GC/MS
FungiAspergillus Vesicoloryest extract sucroseTenax/GC-MSno
FungiAureobasidium Pullulans FN868849Sabouraud Dextrose AgarGC/FIDYes
FungiCandida Shehataeyeast malt agarSPME, GC-MSyes
FungiChaetomium Globosumingrain wallpaperGC/MS-SIMYes
FungiEmericella Nidulansyest extract sucroseTenax/GC-MSno
FungiEurotium Amstelodamiingrain wallpaperGC/MS-SIMYes
FungiFusarium SpGC-FIDyes
FungiHansenula HolstiiPYGGC-MSno
FungiLaccaria BicolorMelin-Nor krans synthetic medium (modified)Headspace trapping ( using stir bar sorptive extraction )/ GC-MS
FungiMortierella Isabellinamalt extact agardiethyl extraction, GC-MSno
FungiPaecilomyces Variotiiyest extract sucroseTenax/GC-MSno
FungiPaecilomyces Variotii BainDG18,MEAGC/MS
FungiPaxillus Involutus MAJMelin-Nor krans synthetic medium (modified)Headspace trapping ( using stir bar sorptive extraction )/ GC-MS
FungiPaxillus Involutus NAUMelin-Nor krans synthetic medium (modified)Headspace trapping ( using stir bar sorptive extraction )/ GC-MS
FungiPencillium ChrysogenumPotato dextrose agarClosedloop stripping analysis and GC/TOF-MS.Yes
FungiPenicillium Aurantiogriseumn/an/a
FungiPenicillium Brevicompactumingrain wallpaperGC/MS-SIMYes
FungiPenicillium ChrysogenumPotato dextrose agarClosedloop stripping analysis and GC/TOF-MS.
FungiPenicillium Clavigerumyest extract sucroseTenax/GC-MSno
FungiPenicillium Commune PittDG18,MEAGC/MS
FungiPenicillium CorymbiferumGC-FIDyes
FungiPenicillium Crustosumyest extract sucroseTenax/GC-MSno
FungiPenicillium Glabrumyest extract sucroseTenax/GC-MSno
FungiPenicillium Sp.n/an/a
FungiPhialophora Fastigiata ConantDG18GC/MS
FungiPholiota SquarrosaMelin-Nor krans synthetic medium (modified)Headspace trapping ( using stir bar sorptive extraction )/ GC-MS
FungiRhizopus StoloniferPotato dextrose agar and tobacco products.Closedloop stripping analysis and GC/TOF-MS.
FungiSaccharomyces Cerevisiaesynthetic minimal mediumGC-MS, EIyes
FungiSaccharomyces Cerevisiae CR1YEPDAGC/MSno
FungiScolulariopsis BrevicaulisGC-FIDyes
FungiStropharia RugosoannulataMelin-Nor krans synthetic medium (modified)Headspace trapping ( using stir bar sorptive extraction )/ GC-MS
FungiTrichodema PseudokoningiiMalt extract/Low mediumGC/MS
FungiTrichodema VirideLow mediumGC/MS
FungiTrichoderma VirideMelin-Nor krans synthetic medium (modified)Headspace trapping ( using stir bar sorptive extraction )/ GC-MS
FungiTuber Aestivumn/aGas chromatography-olfactometry (GC-O)
FungiTuber Borchiin/an/a
FungiTuber Excavatumn/amicroextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)
FungiTuber Indicumn/an/a
FungiTuber Melanosporumn/aGas chromatography-olfactometry (GC-O)
FungiVerticillium LongisporumMelin-Nor krans synthetic medium (modified)Headspace trapping ( using stir bar sorptive extraction )/ GC-MS
FungiXylaria Sp.PDA mediumSPME-GC/MSYes
FungiAmpelomyces Sp. F-a-3naSPME-GC/MSNo
FungiPhoma Sp. GS8-3naSPME-GC/MSNo
FungiGeotrichum Candidummedium 863SPME-GC-MSyes
BacteriaActinomycetes Spp.n/an/a
BacteriaProteus Hauseri JN092591LB liquidSPME-GC/MS
BacteriaBacillus Amyloliquefaciens UCMB5113naGC/MSNo
BacteriaLactobacillus Rhamnosus LSL 212curd-based broth mediumGC/MSYes
BacteriaSerratia Odorifera DSM 4582NBIIHeadspace trapping/ GC-MS
BacteriaSerratia Proteamaculans 568NBIIHeadspace trapping/ GC-MS
FungiPleurotus Eryngii Var. TuoliensisnaGC/MS, GC-O, AEDANo
BacteriaLactobacillus Casei NCIB 8010n/an/a
BacteriaLactobacillus Plantarum NCIB 6376n/an/a
BacteriaLactococcus Lactis DSM 20202n/an/a
BacteriaLeuconostoc Cremoris DSM 20346n/an/a
BacteriaLeuconostoc Dextranicum DSM 20484n/an/a
BacteriaLeuconostoc Mesenteroides DSM 20343n/an/a
BacteriaLeuconostoc Oenos B66n/an/a
BacteriaLeuconostoc Oenos 19n/an/a
BacteriaLeuconostoc Oenos 30n/an/a
BacteriaLeuconostoc Oenos 36n/an/a
BacteriaLeuconostoc Oenos 37Dn/an/a
BacteriaLeuconostoc Oenos 7Bn/an/a
BacteriaLeuconostoc Oenos DSM 20252n/an/a
BacteriaLeuconostoc Oenos DSM 20255n/an/a
BacteriaLeuconostoc Oenos DSM 20257n/an/a
BacteriaLeuconostoc Oenos Lc5xn/an/a
BacteriaLeuconostoc Paramesenteroides DSM 20288n/an/a
BacteriaPediococcus Damnosus DSM 20331n/an/a
BacteriaProteus Vulgaris Sp.LB mediumSPME-GC/MSNo
BacteriaPseudochrobactrum Asaccharolyticum YMF3·00201LB mediumSPME-GC/MSNo
BacteriaPseudomonas Putida BP25Luria Bertani AgarHeadspace GC/MSNo
BacteriaPseudomonas Putida BP25RTSBPropak Q adsorbent trap/GC-MS
FungiVerticillium Longisporumpotato dextrose agar (PDA), Czapek Dox liquid cultureGC-MS / SPMEno
BacteriaClostridium Sp.n/an/a
BacteriaCoagulase-negative StaphylococciMilkHS-SPME/GC-MS
BacteriaEscherichia ColiGCMS DSQno
BacteriaSerratia Proteamaculans 94LB mediumSPME-GC/MSNo
BacteriaStreptococcus DysgalactiaeMilkHS-SPME/GC-MS
Fungi Chalaropsis Thielaviodesno
FungiTrichoderma VirideMalt extract agar Headspace volatiles collected with colomn/TD-GC-MSYes


2-methylpropan-1-ol

Mass-Spectra

Compound Details

Synonymous names
Isopropylcarbinol
isobutylalcohol
Isobutylalkohol
Alcool isobutylique
Isobutanol
1-Hydroxymethylpropane
Fermentation butyl alcohol
Isobutanol, Spectrophotometric Grade
Isobutyl alcohol|
ZXEKIIBDNHEJCQ-UHFFFAOYSA-N
ISOBUTYL ALCOHOL
NATURAL ISOBUTYL ALCOHOL
2-methylpropanoI
2-Methylpropanol
Butanol-iso
IBl
iso butanol
iso-butanol
Isobutanol or isobutyl alcohol
i-Butanol
Isobutyl Alcohol Reagent ACS
2-Methylpropyl alcohol
5OZ
AC1L1MSV
AC1Q1PQD
Iso-butyl alcohol
i-Butyl alcohol
Isobutylalkohol [Czech]
2-Methyl propanol
2-methyl-propanol
Isobutanol, HPLC Grade
Alcool isobutylique [French]
2-Methylpropanol-1
iso-C4H9OH
Isobutyl alcohol (natural)
HSDB 49
Isobutyl Alcohol (Fragrance Grade)
KSC377G2F
UNII-WB09NY83YA component ZXEKIIBDNHEJCQ-UHFFFAOYSA-N
2-methyl-l-propanol
ACMC-209pff
NSC5708
UN1212
56F9Z98TEM
CTK2H7322
HMDB06006
I0094
Z1849
2-Methyl-1-propanol
2-Methylpropan-1-ol
ACT03408
BIDD:ER0628
CHEMBL269630
Methyl-2 propanol-1
RL05045
2-methyl-1-propanyl alcohol
C14710
CCRIS 2300
LTBB002055
RCRA waste number U140
UNII-56F9Z98TEM
DTXSID0021759
FEMA Number 2179
LS-1756
NSC 5708
NSC-5708
OR000149
OR250242
OR328314
Propanol, 2-methyl-
UN 1212
WLN: Q1Y1&1
2-Methyl-1-propanol, analytical standard
CHEBI:46645
DSSTox_CID_1759
PROPOXY, 2-METHYL-
ZINC1687155
2-methyl-propan-1-ol
AN-42121
ANW-37225
CJ-27908
DSSTox_GSID_21759
KB-25207
TRA0023784
DSSTox_RID_76310
LMFA05000100
MFCD00004740
ZINC01687155
AI3-01777
RTR-025160
TR-025160
AKOS000118740
J-509912
RCRA waste no. U140
1-Propanol, 2-methyl-
BRN 1730878
FEMA No. 2179
FT-0627343
78-83-1
I14-19788
Z955123524
Tox21_201214
Alcohols, C8-13-iso-
F0001-2058
Isobutyl alcohol, ACS reagent, >=99.0%
2-Methyl-1-propanol, 99%
CAS-78-83-1
Isobutyl alcohol, >=99%, FCC, FG
MCULE-6294327194
NCGC00091851-01
NCGC00091851-02
NCGC00258766-01
2-Methyl-1-propanol, United States Pharmacopeia (USP) Reference Standard
EINECS 201-148-0
EINECS 273-552-5
68989-27-5
821-EP2269986A1
821-EP2274983A1
821-EP2284157A1
821-EP2287152A2
821-EP2305825A1
821-EP2308857A1
821-EP2380568A1
Isobutyl alcohol, natural, >=99%, FCC, FG
Isobutanol or isobutyl alcohol [UN1212] [Flammable liquid]
2-Methyl-1-propanol, 99.5%
2-Methyl-1-propanol, LR, >=99%
MolPort-001-785-833
2-Methyl-1-propanol, AR, 99%
2-Methyl-1-propanol, ACS spectrophotometric grade, >=99.0%
28287-EP2270012A1
28287-EP2270013A1
28287-EP2272849A1
28287-EP2275423A1
28287-EP2280005A1
28287-EP2289509A2
28287-EP2289884A1
28287-EP2289892A1
28287-EP2292576A2
28287-EP2292613A1
28287-EP2295424A1
28287-EP2298313A1
28287-EP2298751A2
28287-EP2301919A1
28287-EP2305033A1
28287-EP2305254A1
28287-EP2305625A1
28287-EP2305647A1
28287-EP2305681A1
28287-EP2305825A1
28287-EP2308849A1
28287-EP2308850A1
28287-EP2308864A1
28287-EP2311801A1
28287-EP2311802A1
28287-EP2311803A1
28287-EP2311821A1
28287-EP2311838A1
28287-EP2314577A1
28287-EP2371814A1
28287-EP2374780A1
28287-EP2374781A1
28287-EP2377844A2
45218-EP2292616A1
45218-EP2311821A1
74956-EP2275411A2
74956-EP2275414A1
74956-EP2281821A1
74956-EP2298763A1
74956-EP2305254A1
74956-EP2305667A2
74956-EP2308838A1
74956-EP2374780A1
74956-EP2374781A1
2-Methyl-1-propanol, anhydrous, 99.5%
Isobutanol or isobutyl alcohol [UN1212] [Flammable liquid]
13259-29-5 (hydrochloride salt)
3453-79-0 (aluminum salt)
2-Methyl-1-propanol, ACS reagent, >=99.0%
2-Methyl-1-propanol, JIS special grade, >=99.0%
2-Methyl-1-propanol, for HPLC, 99.5%
2-Methyl-1-propanol, SAJ first grade, >=99.0%
4-01-00-01588 (Beilstein Handbook Reference)
Isobutanol, ACS, 99.0% min. 500ml
2-Methyl-1-propanol, reag. ISO, 99%, UV HPLC spectroscopic
7425-80-1 (titanium(+4) salt)
2-Methyl-1-propanol, BioUltra, for molecular biology, >=99.5% (GC)
2-Methyl-1-propanol, p.a., ACS reagent, 99.0%
2-Methyl-1-propanol, puriss. p.a., ACS reagent, >=99.5% (GC)
InChI=1/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H
2-Methyl-1-propanol, puriss. p.a., ACS reagent, reag. Ph. Eur., >=99% (GC)
IUPAC name2-methylpropan-1-ol
SMILESCC(C)CO
InchiInChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3
Formula(CH3)2CHCH2OH
PubChem ID6560
Molweight74.123
LogP0.73
Atoms15
Bonds14
H-bond Acceptor1
H-bond Donor1
Chemical ClassificationAlcohols

mVOC Specific Details

Volatilization
The Henry's Law constant for isobutyl alcohol is 9.78X10-6 atm-cu m/mole(1). This Henry's Law constant indicates that isobutyl alcohol is expected to volatilize from water surfaces(2). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec)(2) is estimated as 3.3 days(SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(2) is estimated as 27 days(SRC). Isobutyl alcohol's Henry's Law constant(1) indicates that volatilization from moist soil surfaces may occur(SRC). Isobutyl alcohol is expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 10.4 mm Hg at 25 deg C(3).
Literature: (1) Snider JR, Dawson; J Geophys Res 90: 3797-3805 (1985) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (3) Daubert TE, Danner RP; Physical and Thermodynamic Properties of Pure Chemicals Data Compilation Washington, DC: Taylor and Francis (1989)
Soil Adsorption
Using a structure estimation method based on molecular connectivity indices(1), the Koc of isobutyl alcohol can be estimated to be 2.9(SRC). According to a classification scheme(2), this estimated Koc value suggests that isobutyl alcohol is expected to have very high mobility in soil.
Literature: (1) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.11. Nov, 2012. Available from, as of June 10, 2014: http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm (2) Swann RL et al; Res Rev 85: 17-28 (1983)
Vapor Pressure
PressureReference
10.4 mm Hg at 25 deg CDaubert, T.E., R.P. Danner. Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, D.C.: Taylor and Francis, 1989.
MS-Links
1D-NMR-Links

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


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
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140-EP2270113A1
140-EP2272516A2
140-EP2272517A1
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140-EP2272826A1
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140-EP2272837A1
140-EP2272839A1
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140-EP2272849A1
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140-EP2301983A1
140-EP2302003A1
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140-EP2305682A1
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140-EP2305684A1
140-EP2305687A1
140-EP2305688A1
140-EP2305695A2
140-EP2305696A2
140-EP2305697A2
140-EP2305698A2
140-EP2305825A1
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140-EP2306789A1
140-EP2308471A1
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140-EP2308926A1
140-EP2309564A1
140-EP2311453A1
140-EP2311464A1
140-EP2311494A1
140-EP2311796A1
140-EP2311797A1
140-EP2311798A1
140-EP2311799A1
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140-EP2311802A1
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140-EP2311806A2
140-EP2311808A1
140-EP2311811A1
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140-EP2311814A1
140-EP2311815A1
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140-EP2311821A1
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140-EP2311824A1
140-EP2311825A1
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140-EP2311830A1
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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
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141-EP2292603A1
141-EP2292606A1
141-EP2292612A2
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141-EP2295402A2
141-EP2295409A1
141-EP2295415A1
141-EP2295417A1
141-EP2295421A1
141-EP2295430A2
141-EP2295431A2
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141-EP2298734A2
141-EP2298735A1
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141-EP2298759A1
141-EP2298767A1
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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
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141-EP2311826A2
141-EP2311831A1
141-EP2311837A1
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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)
IUPAC namepropan-2-ol
SMILESCC(C)O
InchiInChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3
FormulaC3H8O
PubChem ID3776
Molweight60.096
LogP0.25
Atoms12
Bonds11
H-bond Acceptor1
H-bond Donor1
Chemical ClassificationAlcohols

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
PressureReference
45.4 mm Hg at 25 deg CDaubert, T.E., R.P. Danner. Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, D.C.: Taylor and Francis, 1989.
MS-Links
1D-NMR-Links

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaAMI 386nabreathing zone of a waste collection workerWilkins, 1996
BacteriaSerratia Spp. B2675n/aBruce et al., 2004
BacteriaSerratia Spp. B675n/aBruce et al., 2004
BacteriaThermoactinomyces Vulgaris DSM 43016nasoilWilkins, 1996
FungiPaecilomyces Variotii Bainnacompost, soils, food productsSunesson et al., 1995
FungiSaccharomyces Cerevisiae Y1001n/aBruce et al., 2004
FungiPenicillium Palitans (commune) (IBT 15899)n/aobtained from buildings Wilkins et al., 2000
FungiTuber Brumalen/aAyme Truffe of Grignan, 26230 France March et al., 2006
FungiTuber Melanosporumn/aAyme Truffe of Grignan, 26230 France March et al., 2006
FungiTuber Rufumn/aAyme Truffe of Grignan, 26230 France March et al., 2006
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaAMI 386Nutrient agar CM3 + 50mg/l actidioneGC/MS
BacteriaSerratia Spp. B2675n/an/a
BacteriaSerratia Spp. B675n/an/a
BacteriaThermoactinomyces Vulgaris DSM 43016Nutrient agar CM3GC/MS
FungiPaecilomyces Variotii BainMEAGC/MS
FungiSaccharomyces Cerevisiae Y1001n/an/a
FungiPenicillium Palitans (commune) (IBT 15899)medium with glutamin Cultures were grown at 21-23°C for 7 days,VOC-analyse by GC/MS
FungiTuber Brumalen/aPressure balanced head-space sampling and GC/TOF-MS
FungiTuber Melanosporumn/aPressure balanced head-space sampling and GC/TOF-MS
FungiTuber Rufumn/aPressure balanced head-space sampling and GC/TOF-MS


Butan-2-one

Mass-Spectra

Compound Details

Synonymous names
Aethylmethylketon
Ethylmethylcetone
Ethylmethylketon
ethylmethylketone
Methylethylketone
Metiletilchetone
Metyloetyloketon
Methylpropanone
Metiletilcetona
methylacetone
Butanone
ethyl methylketone
ethylmathyl ketone
ethylmethyl ketone
methyl ethylketone
methyl-ethylketone
Methylethyl ketone
methylethyl-ketone
Oxobutane
ZWEHNKRNPOVVGH-UHFFFAOYSA-N
Butanon
Meetco
Methyl acetone
MEK
Ethyl methyl cetone
Ethyl methyl ketone
ethyl-methyl ketone
methyl ethyl cetone
METHYL ETHYL KETONE
methyl-ethyl ketone
methyl-ethyl-ketone
Metyl ethyl ketone
n-butanone
AC1L1MTM
Aethylmethylketon [German]
Ethylmethylcetone [French]
Metiletilcetona [Spanish]
Metiletilchetone [Italian]
Metyloetyloketon [Polish]
2-Butanone
2-Oxobutane
3-Butanone
Butanone 2
Ethylmethylketon [Dutch]
2-butanal
2-butanon
6PT9KLV9IO
C2H5COCH3
Ethyl- a -Chloropropionamide
ethyl(methyl) ketone
Ketone, ethyl methyl
Ketone, methyl ethyl
Methyl Ethyl Ketone Reagent Grade ACS
methyl(ethyl) ketone
2-Butanone, analytical standard
UNII-6PT9KLV9IO
2 -butanone
2- butanone
AC1Q2S03
AC1Q2S04
Acetone, methyl-
Butan-2-one
butane-2-one
Ethyl methyl ketone or methyl ethyl ketone
HSDB 99
KSC377S9D
CHEMBL15849
Methyl ethyl ketone, ACS reagent
UN1193
ASTM-D740
CTK2H7991
E0140
HMDB00474
Ethyl methyl cetone [French]
Methyl Ethyl Ketone, pharmaceutical secondary standard; traceable to USP
RP18311
2-Butanone, HPLC Grade
C02845
CCRIS 2051
RCRA waste number U159
ZINC901514
BBL011450
Butanone 2 [French]
DTXSID3021516
LS-1761
OR034250
OR129517
OR129518
OR192028
OR225680
OR280101
STL146562
UN 1193
ZB015288
A839534
CHEBI:28398
DSSTox_CID_1516
Methyl Ethyl Ketone - Mil Spec
AN-42129
BP-30009
CJ-04546
DSSTox_GSID_21516
BB_SC-6989
BUTYL, 3-OXO-
Caswell No. 569
DSSTox_RID_76193
LMFA12000043
Methyl ethyl ketone, United States Pharmacopeia (USP) Reference Standard
MFCD00011648
ZINC00901514
AI3-07540
KB-169162
RTR-025185
TR-025185
AKOS000118991
EPA Pesticide Chemical Code 044103
ghl.PD_Mitscher_leg0.417
I14-4164
RCRA waste no. U159
FEMA No. 2170
FT-0628728
FT-0634386
78-93-3
2-Butanone, technical grade, 99%
Tox21_200041
2-Butanone, LR, >=99%
CAS-78-93-3
PROPYL, 1-METHYL-2-OXO-
MCULE-8276670748
NCGC00090973-01
NCGC00090973-02
NCGC00257595-01
2-Butanone, 97% 1L
2-Butanone, ReagentPlus(R), >=99%
EINECS 201-159-0
2-Butanone, natural, >=99%, FG
AI3-07540 (USDA)
135311-02-3
2-Butanone, ACS reagent, >=99.0%
2-Butanone, AR, >=99.5%
2-Butanone, for HPLC, >=99.7%
2-Butanone, JIS special grade, >=99.0%
5793-EP2270114A1
5793-EP2280005A1
5793-EP2281817A1
5793-EP2289879A1
5793-EP2289884A1
5793-EP2289897A1
5793-EP2292601A1
5793-EP2292602A1
5793-EP2293650A1
5793-EP2298739A1
5793-EP2298746A1
5793-EP2298771A2
5793-EP2298772A1
5793-EP2301922A1
5793-EP2305658A1
5793-EP2305667A2
5793-EP2308839A1
5793-EP2371805A1
MolPort-001-783-785
2-Butanone, SAJ first grade, >=99.0%
15136-EP2270004A1
15136-EP2270114A1
15136-EP2272813A2
15136-EP2272817A1
15136-EP2272832A1
15136-EP2272841A1
15136-EP2275395A2
15136-EP2275401A1
15136-EP2277874A1
15136-EP2289879A1
15136-EP2289893A1
15136-EP2295407A1
15136-EP2295425A1
15136-EP2295426A1
15136-EP2295427A1
15136-EP2298735A1
15136-EP2298736A1
15136-EP2298761A1
15136-EP2305642A2
15136-EP2305652A2
15136-EP2305687A1
15136-EP2308864A1
15136-EP2308877A1
15136-EP2311830A1
15136-EP2314590A1
15136-EP2316832A1
15136-EP2316833A1
15136-EP2371808A1
15136-EP2371831A1
15136-EP2374454A1
15136-EP2377842A1
15249-EP2270000A1
15249-EP2281810A1
15249-EP2286811A1
15249-EP2289897A1
15249-EP2298735A1
15249-EP2305647A1
15249-EP2305688A1
15249-EP2311830A1
15249-EP2316832A1
15249-EP2316833A1
18726-EP2289879A1
18726-EP2314576A1
23079-EP2275424A1
23079-EP2311832A1
23079-EP2311833A1
23079-EP2314591A1
26070-EP2269986A1
26070-EP2269995A1
26070-EP2270000A1
26070-EP2270009A1
26070-EP2270113A1
26070-EP2272822A1
26070-EP2272827A1
26070-EP2272832A1
26070-EP2272849A1
26070-EP2272935A1
26070-EP2274983A1
26070-EP2275407A1
26070-EP2275411A2
26070-EP2275423A1
26070-EP2275469A1
26070-EP2277866A1
26070-EP2277878A1
26070-EP2281812A1
26070-EP2281821A1
26070-EP2284146A2
26070-EP2284147A2
26070-EP2284149A1
26070-EP2284165A1
26070-EP2284174A1
26070-EP2286811A1
26070-EP2287154A1
26070-EP2287940A1
26070-EP2289868A1
26070-EP2289879A1
26070-EP2289885A1
26070-EP2289965A1
26070-EP2292592A1
26070-EP2292593A2
26070-EP2292597A1
26070-EP2292609A1
26070-EP2295423A1
26070-EP2295430A2
26070-EP2295431A2
26070-EP2295438A1
26070-EP2298729A1
26070-EP2298753A1
26070-EP2298763A1
26070-EP2298767A1
26070-EP2298828A1
26070-EP2299326A1
26070-EP2301918A1
26070-EP2301920A1
26070-EP2301924A1
26070-EP2301983A1
26070-EP2302003A1
26070-EP2305636A1
26070-EP2305642A2
26070-EP2305649A1
26070-EP2305650A1
26070-EP2305667A2
26070-EP2305676A1
26070-EP2305685A1
26070-EP2305686A1
26070-EP2308510A1
26070-EP2308562A2
26070-EP2308828A2
26070-EP2308838A1
26070-EP2308857A1
26070-EP2308858A1
26070-EP2308865A1
26070-EP2308926A1
26070-EP2309564A1
26070-EP2309584A1
26070-EP2311801A1
26070-EP2311802A1
26070-EP2311803A1
26070-EP2311815A1
26070-EP2311816A1
26070-EP2311817A1
26070-EP2314558A1
26070-EP2314577A1
26070-EP2314587A1
26070-EP2371797A1
26070-EP2371798A1
26070-EP2371800A1
26070-EP2371804A1
26070-EP2371808A1
26070-EP2371811A2
26070-EP2371814A1
26070-EP2374533A1
26070-EP2374538A1
26070-EP2374895A1
26070-EP2377845A1
26070-EP2380568A1
26070-EP2380873A1
28325-EP2270000A1
28325-EP2270008A1
28325-EP2275102A1
28325-EP2275423A1
28325-EP2277877A1
28325-EP2289879A1
28325-EP2289885A1
28325-EP2289897A1
28325-EP2292593A2
28325-EP2292617A1
28325-EP2298768A1
28325-EP2307364A1
28325-EP2308861A1
28325-EP2308865A1
28325-EP2310373A1
28325-EP2311808A1
28325-EP2311829A1
28325-EP2311840A1
28325-EP2314577A1
28325-EP2371797A1
28325-EP2371798A1
28325-EP2371800A1
28325-EP2371804A1
28325-EP2371808A1
89669-EP2277868A1
89669-EP2277869A1
89669-EP2277870A1
89669-EP2281861A2
89669-EP2292608A1
89669-EP2305033A1
113739-EP2270000A1
113739-EP2272843A1
113739-EP2272849A1
113739-EP2281817A1
113739-EP2284169A1
113739-EP2287161A1
113739-EP2287162A1
113739-EP2289877A1
113739-EP2292618A1
113739-EP2295406A1
113739-EP2298772A1
138199-EP2292592A1
138199-EP2292595A1
2-Butanone, >=99.5%, FCC, FG
2-Butanone, puriss., >=99% (GC)
Ethyl methyl ketone or methyl ethyl ketone [UN1193] [Flammable liquid]
2-Butanone, HPLC grade, for HPLC, >=99.5%
Ethyl methyl ketone or methyl ethyl ketone [UN1193] [Flammable liquid]
InChI=1/C4H8O/c1-3-4(2)5/h3H2,1-2H
2-Butanone solution, certified reference material, 2000 mug/mL in methanol: water (9:1)
2-Butanone, 5000 mug/mL in methanol: water (9:1), analytical standard
2-Butanone, puriss., ACS reagent, reag. Ph. Eur., 99.5%
2-Butanone, puriss. p.a., ACS reagent, reag. Ph. Eur., >=99.5% (GC)
IUPAC namebutan-2-one
SMILESCCC(=O)C
InchiInChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3
FormulaCH3COCH2CH3
PubChem ID6569
Molweight72.107
LogP0.81
Atoms13
Bonds12
H-bond Acceptor1
H-bond Donor0
Chemical ClassificationKetones

mVOC Specific Details

Volatilization
The Henry's Law constant for methyl ethyl ketone is 4.67X10-5 atm-cu m/mole(1). This Henry's Law constant indicates that methyl ethyl ketone is expected to volatilize from water surfaces(2). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec)(2) is estimated as 18 hours(SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(2) is estimated as 8.2 days(SRC). Methyl ethyl ketone's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). Methyl ethyl ketone is expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 90.6 mm Hg(3). The volatilization half-life of methyl ethyl ketone from silt and sandy loams was measured as 4.9 days(4).
Literature: (1) Ji C, Evans EM; Environ Toxicol Chem 26(2): 231-236 (2007) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (3) Alarie Y et al; Toxicol Appl Pharmacol 134: 92-99 (1995) (4) Anderson TA et al; J Environ Qual 20: 420-24 (1991)
Soil Adsorption
Measured Koc values of 29 and 34 were obtained for methyl ethyl ketone in a silt loam and sandy loam soil respectively(1). A measured Koc value of 3.55 has also been reported(2). According to a classification scheme(3), these Koc values suggest that methyl ethyl ketone is expected to have very high mobility in soil(SRC).
Literature: (1) Walton BT et al; J Environ Qual 21: 552-58 (1992) (2) ATSDR; Toxicological Profile for 2-Butanone. Atlanta, GA: Agency for Toxic Substances and Disease Registry, US Public Health Service (1992). Available from, as of Dec 8, 2014: http://www.atsdr.cdc.gov/toxprofiles/index.asp (3) Swann RL et al; Res Rev 85: 23 (1983)
Vapor Pressure
PressureReference
90.6 mm Hg at 25 deg CAlarie Y et al; Toxicol Appl Pharmacol 134: 92-99 (1995)
MS-Links
1D-NMR-Links

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


1,2-xylene

Mass-Spectra

Compound Details

Synonymous names
ortho-dimethylbenzene
orthoxylene
CTQNGGLPUBDAKN-UHFFFAOYSA-N
o-Dimethylbenzene
dimethyl-benzene
o-Methyltoluene
Ortho-Xylene
OXE
Xylenes ACS
2-Methyltoluene
o-Xylenes
AC1L1OBD
O-XYLENE
o-Xylene, Spectrophotometric Grade
o-Xylol
Xylene mixture of isomers
2-Xylene
m,p-Xylene
o-Xylene, analytical standard
1,2-Dimethylbenzene
1,2-Dimethylbenzol
Benzene, dimethyl-, chloromethylated
188l
KSC174O2H
Xylene, o-isomer
CHEMBL45005
Benzene, o-dimethyl-
CCRIS 905
CTK0H4723
HSDB 134
o-Xylene, HPLC Grade
S0650
1,2-Xylene
3,4-Xylene
ACMC-209rz0
BENZENE,1,2-DIMETHYL
NSC60920
o-Xylene, secondary standard traceable to NIST
Xylene, o-
bmse000526
C07212
Z2474E14QP
ZINC968282
DTXSID3021807
LS-1976
OR000301
OR245567
OR248479
OR380402
OR380403
SBB040816
STL264206
ZB015548
CHEBI:28063
DSSTox_CID_1807
o-XYLENE- D10
UNII-Z2474E14QP
AN-24318
AN-49093
ANW-40522
DSSTox_GSID_21807
METHYL,(2-METHYLPHENYL)-
NSC 60920
NSC-60920
o-Xylene, spectrophotometric grade, 98%
BDBM50008560
DSSTox_RID_76340
MFCD00008519
O-XYLENE-ALPHA,ALPHA,ALPHA,ALPHA',ALPHA',ALPHA'-D6
WLN: 1R B1
ZINC00968282
AI3-08197
RTR-033017
ST50214390
TR-004510
TR-033017
AKOS000269058
I01-4412
I01-8965
o-Xylene, anhydrous, 97%
Benzene, 1,2-dimethyl-
FT-0645147
FT-0688168
95-47-6
o-Xylene, for synthesis, 98%
Tox21_200658
F1908-0112
CAS-95-47-6
o-Xylene, for HPLC, 98%
MCULE-2208963094
NCGC00091662-01
NCGC00091662-02
NCGC00091662-03
NCGC00258212-01
EINECS 202-422-2
o-Xylene, reagent grade, >=98.0%
68411-84-7
849-EP2269975A2
849-EP2269977A2
849-EP2269986A1
849-EP2269988A2
849-EP2269989A1
849-EP2269990A1
849-EP2269993A1
849-EP2269997A2
849-EP2270113A1
849-EP2270114A1
849-EP2272516A2
849-EP2272537A2
849-EP2272813A2
849-EP2272822A1
849-EP2272830A1
849-EP2272832A1
849-EP2272841A1
849-EP2272849A1
849-EP2272935A1
849-EP2274983A1
849-EP2275105A1
849-EP2275395A2
849-EP2275403A1
849-EP2275404A1
849-EP2275407A1
849-EP2275409A1
849-EP2275410A1
849-EP2275411A2
849-EP2275414A1
849-EP2275415A2
849-EP2275427A1
849-EP2275469A1
849-EP2277848A1
849-EP2277858A1
849-EP2277865A1
849-EP2277871A1
849-EP2277878A1
849-EP2279750A1
849-EP2280000A1
849-EP2280001A1
849-EP2280005A1
849-EP2280009A1
849-EP2280011A1
849-EP2281810A1
849-EP2281812A1
849-EP2281816A1
849-EP2281818A1
849-EP2281821A1
849-EP2284159A1
849-EP2284160A1
849-EP2284165A1
849-EP2284174A1
849-EP2284920A1
849-EP2286811A1
849-EP2287141A1
849-EP2287152A2
849-EP2287159A1
849-EP2287167A1
849-EP2287940A1
849-EP2289509A2
849-EP2289868A1
849-EP2289876A1
849-EP2289884A1
849-EP2289887A2
849-EP2289888A2
849-EP2289896A1
849-EP2289965A1
849-EP2292227A2
849-EP2292586A2
849-EP2292592A1
849-EP2292593A2
849-EP2292597A1
849-EP2292599A1
849-EP2292606A1
849-EP2292609A1
849-EP2292612A2
849-EP2292624A1
849-EP2295406A1
849-EP2295409A1
849-EP2295412A1
849-EP2295413A1
849-EP2295414A1
849-EP2295421A1
849-EP2295425A1
849-EP2295426A1
849-EP2295427A1
849-EP2295433A2
849-EP2295437A1
849-EP2295438A1
849-EP2298731A1
849-EP2298744A2
849-EP2298747A1
849-EP2298750A1
849-EP2298756A1
849-EP2298763A1
849-EP2298766A1
849-EP2298767A1
849-EP2298768A1
849-EP2298770A1
849-EP2298775A1
849-EP2298777A2
849-EP2298828A1
849-EP2301922A1
849-EP2301924A1
849-EP2301925A1
849-EP2301928A1
849-EP2301934A1
849-EP2301936A1
849-EP2301983A1
849-EP2305625A1
849-EP2305640A2
849-EP2305641A1
849-EP2305642A2
849-EP2305649A1
849-EP2305651A1
849-EP2305655A2
849-EP2305658A1
849-EP2305667A2
849-EP2305668A1
849-EP2305672A1
849-EP2305676A1
849-EP2305677A1
849-EP2305685A1
849-EP2305686A1
849-EP2308471A1
849-EP2308562A2
849-EP2308838A1
849-EP2308840A1
849-EP2308844A2
849-EP2308845A2
849-EP2308846A2
849-EP2308849A1
849-EP2308850A1
849-EP2308853A1
849-EP2308854A1
849-EP2308857A1
849-EP2308858A1
849-EP2308869A1
849-EP2308877A1
849-EP2308926A1
849-EP2309564A1
849-EP2311801A1
849-EP2311802A1
849-EP2311803A1
849-EP2311804A2
849-EP2311808A1
849-EP2311810A1
849-EP2311813A1
849-EP2311815A1
849-EP2311816A1
849-EP2311817A1
849-EP2311826A2
849-EP2311829A1
849-EP2311830A1
849-EP2314558A1
849-EP2314579A1
849-EP2314583A1
849-EP2314584A1
849-EP2314586A1
849-EP2314587A1
849-EP2315502A1
849-EP2316832A1
849-EP2316833A1
849-EP2316836A1
849-EP2371795A1
849-EP2371797A1
849-EP2371798A1
849-EP2371800A1
849-EP2371804A1
849-EP2371805A1
849-EP2371810A1
849-EP2371814A1
849-EP2371831A1
849-EP2374783A1
849-EP2374895A1
849-EP2377841A1
849-EP2377845A1
849-EP2377847A1
849-EP2380568A1
849-EP2380873A1
o-Xylene, 99% 100ml
o-Xylene, SAJ special grade, >=98.5%
MolPort-016-899-217
o-Xylene [UN1307] [Flammable liquid]
15074-EP2272813A2
15074-EP2275395A2
15074-EP2316832A1
15074-EP2316833A1
15074-EP2380867A1
15075-EP2272813A2
15075-EP2275395A2
15075-EP2316832A1
15075-EP2316833A1
28308-EP2272813A2
28308-EP2275395A2
28308-EP2280005A1
28308-EP2289884A1
28308-EP2298738A1
28308-EP2305625A1
28308-EP2309584A1
28308-EP2314577A1
28308-EP2371831A1
28308-EP2380568A1
77824-EP2272846A1
77824-EP2275422A1
77824-EP2277868A1
77824-EP2277869A1
77824-EP2277870A1
77824-EP2292608A1
77824-EP2295436A1
77824-EP2298076A1
77824-EP2298077A1
77824-EP2298749A1
77824-EP2298762A2
77824-EP2298769A1
77824-EP2301353A1
77824-EP2305031A1
77824-EP2305034A1
77824-EP2305035A1
77824-EP2308866A1
77824-EP2371823A1
77824-EP2374791A1
o-Xylene [UN1307] [Flammable liquid]
o-Xylene, puriss. p.a., >=99.0% (GC)
InChI=1/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H
IUPAC name1,2-xylene
SMILESCC1=CC=CC=C1C
InchiInChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3
FormulaC6H4(CH3)2
PubChem ID7237
Molweight106.168
LogP3
Atoms18
Bonds18
H-bond Acceptor0
H-bond Donor0
Chemical ClassificationBenzenoids alkylbenzenes

mVOC Specific Details

Volatilization
The Henry's Law constant for 2-xylene has been measured as 5.18X10-3 atm-cu m/mole(1). This Henry's Law constant indicates that 2-xylene 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 3.2 hours(SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(2) is estimated as 4.1 days(SRC). 2-Xylene's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). 2-Xylene is expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 6.65 mm Hg at 25 deg C(3).
Literature: (1) Sanemasa I et al; Bull Chem Soc Jpn 18: 1111-230 (1982) (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 Institute for Physical Property Data, American Institute of Chemical Engineers. New York, NY: Hemisphere Pub Corp (1996)
Soil Adsorption
Koc values measured for 2-xylene in various soils (% organic matter) were 24 in Wendover silty clay (16.2%), 26 in Vaudreil sand loam (10.0%), 68 in St. Thomas sand (3.1%), and 138 in Grimsby silt loam (1.0%)(1). Batch adsorption tests, using three solid sandy aquifer materials gave a Koc of 129(2). The Koc for 2-xylene in surface sediments collected from the central Tamar estuary in the UK was 25.4(3). The Koc values for 2-xylene in two river sediments (% organic matter 6.5-16.9 wt%) was 209 and 251, respectively(4). According to a classification scheme(5), these measured Koc values suggests that 2-xylene is expected to have very high to moderate mobility in soil. Using OECD Guideline 121 (estimating Koc via HPLC), the Koc of 2-xylene was estimated to be 537(6). Concentration enhancement has been observed for 2-xylene in a dune-infiltration project on the Rhine River(7); however, no 2-xylene reached groundwater under a rapid infiltration site(8). The log Koc for 2-xylene in coal sediment (% organic matter 52 wt%) was 2.40(4).
Literature: (1) Nathwani JS, Phillip CR; Chemosphere 6: 157-62 (1977) (2) Abdul AS, Gibson TL, Rai DN; S Haz Waste Haz Mat 4: 211-22 (1987) (3) Vowles PD, Mantoura RFC; Chemosphere 16: 109-16 (1987) (4) Kopinke FD et al; Environ Sci Technol 29: 941-50 (1995) (5) Swann RL et al; Res Rev 85: 17-28 (1983) (6) ECHA; Search for Chemicals. o-Xylene (CAS 95-47-6) Registered Substances Dossier. European Chemical Agency. Available from, as of June 20, 2015: http://echa.europa.eu/ (7) Piet GJ et al; Quality of groundwater. Van Dwjvenbooden W et al, eds; Studies in Environ Sci 17: 557-64 (1981) (8) Tomson MB et al; Water Res 15: 1109-16 (1981)
Vapor Pressure
PressureReference
6.65 mm Hg at 25 deg C /extrapolated/Daubert TE, Danner RP; Physical and Thermodynamic Properties of Pure Chemicals: Data Compilation. Design Institute for Physical Property Data, American Institute of Chemical Engineers. New York, NY: Hemisphere Pub Corp (1996)
MS-Links
1D-NMR-Links

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaSerratia Spp. B675n/aBruce et al., 2004
FungiSaccharomyces Cerevisiae Y1001n/aBruce et al., 2004
FungiTuber Aestivumn/aAgricultural Centre of Castilla and León Community (Monasterio de la Santa Espina, Valladolid, Spain) and Navaleno (Soria, Spain).Diaz et al., 2003
FungiPaecilomyces Variotii Bainnacompost, soils, food productsSunesson et al., 1995
BacteriaCarnobacterium Divergens 9Pn/aErcolini et al., 2009
BacteriaPseudomonas Fragi 25Pn/aErcolini et al., 2009
BacteriaSerratia Proteamaculans 42Mn/aErcolini et al., 2009
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaSerratia Spp. B675n/an/a
FungiSaccharomyces Cerevisiae Y1001n/an/a
FungiTuber Aestivumn/aHeadspace solid-phase microextraction (HS-SPME) combined with GC-MS
FungiPaecilomyces Variotii BainDG18,MEAGC/MS
BacteriaCarnobacterium Divergens 9Pn/an/a
BacteriaPseudomonas Fragi 25Pn/an/a
BacteriaSerratia Proteamaculans 42Mn/an/a


1,4-xylene

Mass-Spectra

Compound Details

Synonymous names
paraxylene
Scintillar
p-Dimethylbenzene
URLKBWYHVLBVBO-UHFFFAOYSA-N
Chromar
Dimethylbenzene,coking by-products
p-Methyltoluene
Solvent xylene
Para-Xylene
PXY
4-Methyltoluene
p-Xylenes
AC1L1PLL
AC1Q2QRE
P-XYLENE
p-Xylol
ACMC-1BROJ
Xylene,coking b
4-Xylene
p-Xylene, analytical standard
ScintiLene™ Cocktail
1,4-Dimethylbenzene
1,4-Dimethylbenzol
187l
KSC175S8L
Xylene, p-isomer
CHEMBL31561
6WAC1O477V
Benzene, p-dimethyl-
CCRIS 910
CTK0H5985
HSDB 136
S0649
1,4-dimethyl benzene
1,4-Xylene
AS00254
BENZENE,1,4-DIMETHYL
LS-397
NSC72419
RL01514
RP18866
Xylene, p-
A18069
bmse000834
C06756
LTBB002309
p-Xylene-13C8
p-Xylene, pharmaceutical secondary standard; traceable to USP
UNII-6WAC1O477V
ZINC968254
DTXSID2021868
OR000302
OR198617
OR198618
OR245569
OR271024
STL264212
ZB015532
CHEBI:27417
DSSTox_CID_1868
p-XYLENE- D10
AN-22433
ANW-15345
CJ-04643
DSSTox_GSID_21868
LABOTEST-BB LTBB002309
METHYL,(4-METHYLPHENYL)-
NSC 72419
NSC-72419
SC-65191
SC-79143
TRA0007876
Aromatic hydrocarbons, C8, o-xylene-lean
BDBM50008567
DSSTox_RID_76374
MFCD00008556
WLN: 1R D1
ZINC00968254
AI3-52255
p-Xylene, anhydrous, >=99%
TC-104090
TR-001252
AKOS000121124
I01-9720
J-001588
J-524068
1,4-Dimethylcyclohexane, mixture of cis and trans
Benzene, 1,4-dimethyl-
FT-0689271
p-Xylene, for synthesis, 99%
Tox21_201113
106-42-3
F0001-0120
p-Xylene, for HPLC, >=99%
Benzene, 1,4-dimethyl-, oxidized
MCULE-3769448716
NCGC00091661-01
NCGC00091661-02
NCGC00258665-01
p-Xylene, ReagentPlus(R), 99%
CAS-106-42-3
EINECS 203-396-5
68411-39-2
68650-36-2
p-Xylene, 99% 100ml
p-Xylene, SAJ special grade, >=99.0%
MolPort-001-783-900
p-Xylene, SAJ first grade, >=99.0%
p-Xylene [UN1307] [Flammable liquid]
28306-EP2270003A1
28306-EP2277867A2
28306-EP2280003A2
28306-EP2289896A1
28306-EP2301918A1
28306-EP2305825A1
28306-EP2309584A1
28306-EP2314577A1
28306-EP2380568A1
p-Xylene [UN1307] [Flammable liquid]
p-Xylene, purum, >=98.0% (GC)
p-Xylene, puriss. p.a., >=99.0% (GC)
InChI=1/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H
IUPAC name1,4-xylene
SMILESCC1=CC=C(C=C1)C
InchiInChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3
FormulaC6H4(CH3)2
PubChem ID7809
Molweight106.168
LogP3
Atoms18
Bonds18
H-bond Acceptor0
H-bond Donor0
Chemical ClassificationBenzenoids alkylbenzenes

mVOC Specific Details

Volatilization
The Henry's Law constant for 4-xylene is measured as 6.90X10-3 atm-cu m/mole(1). This Henry's Law constant indicates that 4-xylene 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 3.1 hours(SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(2) is estimated as 4.1 days(SRC). 4-Xylene's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). 4-Xylene is expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 8.84 mm Hg(3).
Literature: (1) Foster P et al; Fresen Environ Bull 3: 318-323 (1994) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (3) Chao J et al; J Phys Chem Ref Data 12: 1033-63 (1983)
Soil Adsorption
Koc values of 246 and 540 have been measured for 4-xylene in silt and sandy loam soils respectively(1). A Koc value of 204 was measured for 4-xylene using sandy aquifer materials(2). A median experimental Koc value of 295 has also been reported(3). According to a classification scheme(4), these Koc values suggest that 4-xylene is expected to have moderate to low mobility in soil. A soil leaching column study estimated a 4-xylene Koc of 331 using a chromatographic methodology(5). Another soil column leaching study estimated a Koc range of 118-298 based on HPLC measurement(6).
Literature: (1) Walton BT et al; J Environ Qual 21: 552-558 (1992) (2) Abdul AS et al; Hazard Waste & Hazard Mater 4: 211-22 (1987) (3) Schuurmann G et al; Environ Sci Technol 40: 7005-7011 (Supporting information) (2006) (4) Swann RL et al; Res Rev 85: 17-28 (1983) (5) Xu F et al; J Environ Qual 30: 1618-1623 (2001) (6) ECHA; Search for Chemicals. p-Xylene (CAS 106-42-3) Registered Substances Dossier. European Chemical Agency; Available from, as of June 27, 2016: http://echa.europa.eu/
Vapor Pressure
PressureReference
8.84 mm Hg at 25 deg CChao J et al; J Phys Chem Ref Data 12: 1033-66 (1983)
MS-Links
1D-NMR-Links

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
FungiTuber Aestivumn/aAgricultural Centre of Castilla and León Community (Monasterio de la Santa Espina, Valladolid, Spain) and Navaleno (Soria, Spain).Diaz et al., 2003
BacteriaAzospirillum Brasilense Cdpromotion of performance of Chlorella sorokiniana Shihculture collection DSMZ 1843Amavizca et al. 2017
BacteriaBacillus Pumilus ES4promotion of performance of Chlorella sorokiniana ShihAmavizca et al. 2017
BacteriaEscherichia Coli DH5apromotion of performance of Chlorella sorokiniana ShihAmavizca et al. 2017
BacteriaBurkholderia Tropica MTo431n/aTenorio-Salgado et al., 2013
FungiFusarium Graminearum 15AcDONn/aBusko et al., 2014
FungiFusarium Graminearum 15AcDON 1001tan/aBusko et al., 2014
FungiFusarium Graminearum 15AcDON ZFR 29n/aBusko et al., 2014
FungiFusarium Graminearum 15AcDON_4n/aBusko et al., 2014
FungiFusarium Graminearum 15AcDON_5n/aBusko et al., 2014
FungiFusarium Graminearum 15AcDON_6n/aBusko et al., 2014
FungiFusarium Graminearum 15AcDON_7n/aBusko et al., 2014
FungiFusarium Graminearum 15AcDON_8n/aBusko et al., 2014
FungiFusarium Graminearum 15AcDON_9n/aBusko et al., 2014
FungiFusarium Graminearum 3AcDON 1002tn/aBusko et al., 2014
FungiFusarium Graminearum 3AcDON 11791n/aBusko et al., 2014
FungiFusarium Graminearum 3AcDON 1509n/aBusko et al., 2014
FungiFusarium Graminearum 3AcDON 8046n/aBusko et al., 2014
FungiFusarium Graminearum 3AcDON NRRL38369n/aBusko et al., 2014
FungiFusarium Graminearum 3AcDON NRRL6394n/aBusko et al., 2014
FungiFusarium Graminearum 3AcDON ZFR 15n/aBusko et al., 2014
FungiFusarium Graminearum 3AcDON ZFR 37n/aBusko et al., 2014
FungiFusarium Graminearum 3AcDON ZFR 51n/aBusko et al., 2014
FungiFusarium Graminearum NIVn/aBusko et al., 2014
FungiFusarium Graminearum NIV ZFR 119n/aBusko et al., 2014
FungiFusarium Graminearum NIV ZFR 23n/aBusko et al., 2014
FungiFusarium Graminearum NIV ZFR 48n/aBusko et al., 2014
FungiFusarium Graminearum NIV_5n/aBusko et al., 2014
FungiFusarium Graminearum NIV_6n/aBusko et al., 2014
FungiFusarium Graminearum NIV_7n/aBusko et al., 2014
FungiFusarium Graminearum NIV_8n/aBusko et al., 2014
FungiFusarium Graminearum NIV_9n/aBusko et al., 2014
FungiPaecilomyces Variotii Bainnacompost, soils, food productsSunesson et al., 1995
FungiTrichodema Pseudokoningiin/aWheatley et al., 1997
BacteriaCarnobacterium Divergens 9Pn/aErcolini et al., 2009
BacteriaPseudomonas Fragi 25Pn/aErcolini et al., 2009
BacteriaSerratia Proteamaculans 42Mn/aErcolini et al., 2009
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
FungiTuber Aestivumn/aHeadspace solid-phase microextraction (HS-SPME) combined with GC-MS
BacteriaAzospirillum Brasilense CdTSASPME-GCno
BacteriaBacillus Pumilus ES4TSASPME-GCno
BacteriaEscherichia Coli DH5aTSASPME-GCno
BacteriaBurkholderia Tropica MTo431Potato dextrose agarHeadspace trapping/ GC-MS
FungiFusarium Graminearum 15AcDONyeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 15AcDON 1001tayeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 15AcDON ZFR 29yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 15AcDON_4yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 15AcDON_5yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 15AcDON_6yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 15AcDON_7yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 15AcDON_8yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 15AcDON_9yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 3AcDON 1002tyeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 3AcDON 11791yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 3AcDON 1509yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 3AcDON 8046yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 3AcDON NRRL38369yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 3AcDON NRRL6394yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 3AcDON ZFR 15yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 3AcDON ZFR 37yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 3AcDON ZFR 51yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum NIVyeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum NIV ZFR 119yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum NIV ZFR 23yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum NIV ZFR 48yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum NIV_5yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum NIV_6yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum NIV_7yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum NIV_8yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum NIV_9yeast extract sucrose agarSPME/GC-MS
FungiPaecilomyces Variotii BainDG18,MEAGC/MS
FungiTrichodema PseudokoningiiMalt extractGC/MS
BacteriaCarnobacterium Divergens 9Pn/an/a
BacteriaPseudomonas Fragi 25Pn/an/a
BacteriaSerratia Proteamaculans 42Mn/an/a


2-methylbutan-1-ol

Mass-Spectra

Compound Details

Synonymous names
QPRQEDXDYOZYLA-UHFFFAOYSA-N
sec-Butylcarbinol
DL-sec-Butylcarbinol
2-Methylbutanol
Primary active amyl alcohol
Active amyl alcohol
Active primary amyl alcohol
AC1L1RKY
2-Methylbutyl alcohol
dl-sec-Butyl carbinol
2-methyl butanol
2-methyl-butanol
ACMC-1AU5T
KSC174S1N
AC1Q2S95
Nat.L-2-Methylbutanol
3-Methyl iso-butanol
7337AF
NSC8431
2-Methyl-n-butanol
CTK0H4916
M0175
RP18502
CHEMBL451923
ACMC-209de6
NE10348
2-Methylbutan-1-ol
HSDB 5626
CH3CH2CH(CH3)CH2OH
CCRIS 8805
2-METHYL-1-BUTANOL
2-Methyl butanol-1
LTBB003178
OR299404
NSC-8431
DTXSID5027069
NSC 8431
OR035255
Jsp002256
DSSTox_CID_7069
Butanol, 2-methyl-
CHEBI:48945
(-)2-methylbutanol
DSSTox_GSID_27069
AN-23135
L-2-Methyl-1-butanol
LS-46573
DL-2-Methyl-1-butanol
D-2-METHYL-1-BUTANOL
ANW-42009
TRA0021730
AN-19734
SC-94933
SC-08990
2-Methyl-1-butanol, analytical standard
Methyl-2-butan-1-ol
DSSTox_RID_78299
LMFA05000104
2-Methyl-Butan-1-Ol
MFCD00004743
DB-003288
TR-004975
RTR-004975
AI3-24190
J-510045
AKOS009159118
(+)-2-methylbutanol
FT-0691797
FT-0612896
BRN 1718810
DL-2-METHYL-1-BUTANOL, PRACT
I14-16605
1-Butanol, 2-methyl-
WLN: Q1Y2 & 1
Tox21_303200
Tox21_201558
F0001-0469
137-32-6
2-Methyl-1-butanol, >=99%
3B1-001142
NCGC00259107-01
MCULE-6521026296
NCGC00249069-01
( inverted exclamation markA)-2-Methyl-1-butanol
NCGC00256976-01
CAS-137-32-6
EINECS 205-289-9
EINECS 252-163-4
34713-94-5
(1)-2-Methylbutan-1-ol
2-Methyl-1-butanol, >=99%, FG
MolPort-001-783-235
2-Methyl-1-butanol, natural, 99%, FG
(+/-)-2-Methyl-1-butanol
4-01-00-01666 (Beilstein Handbook Reference)
(+/-)-2-Methyl-1-butanol, >=98.0% (GC)
IUPAC name2-methylbutan-1-ol
SMILESCCC(C)CO
InchiInChI=1S/C5H12O/c1-3-5(2)4-6/h5-6H,3-4H2,1-2H3
FormulaCH3CH2CH(CH3)CH2OH
PubChem ID8723
Molweight88.15
LogP1.17
Atoms18
Bonds17
H-bond Acceptor1
H-bond Donor1
Chemical ClassificationAlcohols

mVOC Specific Details

Volatilization
2-Methyl-1-butanol has an experimentally measured Henry's Law constant of 1.41X10-5 atm-cu m/mole at 25 deg C(1). This value of Henry's Law constant indicates that volatilization from environmental waters is slow, but may be significant from shallow rivers(3). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep flowing 1 m/sec with a wind velocity of 3 m/sec) can be estimated to be about 61 hr(2,SRC). Volatilization half-life from an model environmental pond can be estimated to be about 28 days(3,SRC).
Literature: (1) Hine J, Mookerjee PK; J Org Chem 40: 292-8 (1975) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods NY: McGraw-Hill pp. 15-15 to 15-29 (1982) (3) US EPA; EXAMS II Computer Simulation (1987)
Soil Adsorption
Based upon a water solubility of 30,000 mg/l at 25 deg C(1), the Koc for 2-methyl-1-butanol can be estimated to be 15 from a regression-derived equation(2,SRC). Based upon a measured log Kow of 1.29(3), the Koc for 2-methyl-1-butanol can be estimated to be 120 from a regression-derived equation(2,SRC). These BCF values suggest that 2-methyl-1-butanol has high to very high soil mobility(4).
Literature: (1) Barton AFM; Alcohols With Water. International Union of Pure and Applied Chemistry. Solubility Data Series. Vol 15 (1984) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods NY: McGraw-Hill p. 4-9 (1982) (3) Valvani SC et al; J Pharm Sci 70: 502-7 (1981) (4) Swann RL et al; Res Rev 85: 23 (1983)
Vapor Pressure
PressureReference
3.13 mm Hg at 25 deg CDaubert TE; Danner RP; Physical and Thermodynamic Properties of Pure Chemicals: Data Compilation, NY: Hemisphere Pub Corp (1989)
MS-Links

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


3-methylfuran

Mass-Spectra

Compound Details

Synonymous names
KJRRQXYWFQKJIP-UHFFFAOYSA-N
2-Azacyclobutanone
3-methylfurane
3-METHYLFURAN
3-Methylfuran, AldrichCPR
3-methyl furan
3-methyl-furan
3-methyl-fura
AC1L221I
3-Methylfuran-methyl-D3
PubChem19993
X5961
3-methylfuran,98%
M0939
CTK3I8103
VZ35151
ACMC-20an04
NSC346905
HE142616
HE027296
X-4282
ZINC1580392
A844425
3-methylfuran (stabilized with hq)
CJ-25129
5R72A0440N
LS-70258
KB-32635
AN-48024
Furan, 3-methyl-
DTXSID10239228
FCH1116445
GEO-01834
ZINC01580392
MFCD00060134
NSC-346905
DB-016017
UNII-5R72A0440N
TR-029158
RTR-029158
NSC 346905
AKOS005255084
S14-0927
FT-0616160
FT-0671790
3-methylfuran, 98% 1gr
BRN 0104217
I14-22064
930-27-8
3-methylfuran (stabilized with hq) 98+%
MolPort-019-910-356
5-17-01-00330 (Beilstein Handbook Reference)
InChI=1/C5H6O/c1-5-2-3-6-4-5/h2-4H,1H
IUPAC name3-methylfuran
SMILESCC1=COC=C1
InchiInChI=1S/C5H6O/c1-5-2-3-6-4-5/h2-4H,1H3
FormulaC5H6O
PubChem ID13587
Molweight82.102
LogP1.63
Atoms12
Bonds12
H-bond Acceptor0
H-bond Donor0
Chemical ClassificationFuran furans ethers

mVOC Specific Details


Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
FungiAspergillus FlavusSchnürer et al. 1999
FungiPenicillium BrevicompactumSchnürer et al. 1999
BacteriaStreptomyces Spp.n/aSchulz and Dickschat, 2007
Fungi Börjesson et al. 1990
FungiAspergillus VersicolorSchleibinger et al.,2005
FungiAspergillus Versicolor Tiraboschinadamp indoor environments, food productsSunesson et al., 1995
FungiChaetomium GlobosumSchleibinger et al.,2005
FungiCladosporium Cladosporioides Ellisnaindoor, outdoor, on a wide range of materialsSunesson et al., 1995
FungiEurotium AmstelodamiSchleibinger et al.,2005
FungiPaecilomyces Variotii Bainnacompost, soils, food productsSunesson et al., 1995
FungiPenicillium Aurantiogriseumn/aBoerjesson et al., 1990
FungiPenicillium BrevicompactumSchleibinger et al.,2005
FungiPenicillium Commune Pittnain dry-cured meat products, cheeseSunesson et al., 1995
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
FungiAspergillus Flavusmalt extract agar with 0.5-1.0% acetic acidTenaxGC,Chromosorb,HS-SPME, GC-MSno
FungiPenicillium Brevicompactummalt extract agar with 0.5-1.0% acetic acidTenaxGC,Chromosorb,HS-SPME, GC-MSno
BacteriaStreptomyces Spp.n/an/a
Fungi no
FungiAspergillus Versicoloringrain wallpaperGC/MS-SIMYes
FungiAspergillus Versicolor TiraboschiDG18GC/MS
FungiChaetomium Globosumingrain wallpaperGC/MS-SIMYes
FungiCladosporium Cladosporioides EllisDG18GC/MS
FungiEurotium Amstelodamiingrain wallpaperGC/MS-SIMYes
FungiPaecilomyces Variotii BainDG18,MEAGC/MS
FungiPenicillium Aurantiogriseumn/an/a
FungiPenicillium Brevicompactumingrain wallpaperGC/MS-SIMYes
FungiPenicillium Commune PittDG18GC/MS


1,3-xylene

Mass-Spectra

Compound Details

Synonymous names
Dimethylbenzene
metaxylene
IVSZLXZYQVIEFR-UHFFFAOYSA-N
m-Dimethylbenzene
m-Methyltoluene
meta-Xylene
Benzylated m-xylene
m-Xylenes
AC1L1PVL
M-XYLENE
m-Xylol
Xylenes Reagent Grade ACS
3-Xylene
Xylene, mixed isomers
AC1Q2QZ7
m-Xylene, analytical standard
m-Xylene, benzylated
1,3-Dimethylbenzene
1,3-Dimethylbenzol
O9XS864HTE
KSC492A9P
Santosol 150
UNII-O9XS864HTE
1,3-Dimethylbenzene, benzylated
Benzene, m-dimethyl-
CCRIS 907
CTK3J2097
HSDB 135
S0648
1,3-Xylene
2,4-Xylene
BENZENE,1,3-DIMETHYL
CHEMBL286727
LS-459
NSC61769
RL00363
Xylene, m-
ACMC-1C123
bmse000554
C07208
LTBB002308
m-Xylene, pharmaceutical secondary standard; traceable to USP
ZINC968281
DTXSID6026298
OR000300
OR199715
OR213996
OR245566
STL268867
ZB015547
CHEBI:28488
DSSTox_CID_1446
AN-22508
CJ-04648
DSSTox_GSID_21446
DSSTox_GSID_26298
KB-55124
LS-29889
METHYL,(3-METHYLPHENYL)-
NSC 61769
NSC-61769
TRA0080357
BDBM50008556
DSSTox_RID_76162
DSSTox_RID_78091
MFCD00008536
WLN: 1R C1
ZINC00968281
AI3-08916
m-Xylene, anhydrous, >=99%
RTR-033016
TR-033016
AKOS000121123
I01-6934
J-503933
Benzene, 1,3-dimethyl-
FT-0629041
m-Xylene, for synthesis, 99%
Tox21_200292
Tox21_202056
Tox21_303203
108-38-3
Benzene, 1,3-dimethyl-, benzylated
F1908-0174
m-Xylene, ReagentPlus(R), 99%
MCULE-9376558510
NCGC00091711-01
NCGC00091711-02
NCGC00091711-03
NCGC00257052-01
NCGC00257846-01
NCGC00259605-01
CAS-108-38-3
EINECS 203-576-3
EINECS 272-684-0
CAS-1330-20-7
m-Xylene, 99% 100ml
m-Xylene, SAJ first grade, >=98.5%
MolPort-003-926-319
m-Xylene [UN1307] [Flammable liquid]
28307-EP2280005A1
28307-EP2289884A1
28307-EP2301536A1
28307-EP2301538A1
28307-EP2301923A1
28307-EP2301930A1
28307-EP2309584A1
28307-EP2311455A1
28307-EP2314577A1
28307-EP2380568A1
m-Xylene [UN1307] [Flammable liquid]
m-Xylene, puriss. p.a., >=99.0% (GC)
Xylenes, mixture of isomers, ACS, 98.5% min. 500ml
Xylene mixture (50.31% m-xylene, 26.9% o-xylene, 22.24% p-xylene)
InChI=1/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H
IUPAC name1,3-xylene
SMILESCC1=CC(=CC=C1)C
InchiInChI=1S/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3
FormulaC6H4(CH3)2
PubChem ID7929
Molweight106.168
LogP3
Atoms18
Bonds18
H-bond Acceptor0
H-bond Donor0
Chemical Classificationbenzenoids alkylbenzenes

mVOC Specific Details

Volatilization
The Henry's Law constant for 3-xylene is measured as 7.18X10-3 atm-cu m/mole(1). This Henry's Law constant indicates that 3-xylene 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 3.1 hours(SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(2) is estimated as 4.1 days(SRC). 3-Xylene's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). 3-Xylene is expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 8.29 mm Hg at 25 deg C(3).
Literature: (1) Sanemasa I et al; Bull Chem Soc Jpn 55: 1054-62 (1982) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (3) Chao J et al; J Phys Chem Ref Data 12: 1033-63 (1983)
Literature: #An experiment which measured the rate of evaporation of m- and p-xylene from a 1:1000 jet fuel:water mixture found that it averaged 0.64 times the oxygen reaeration rate(1).
Literature: (1) Smith JH, Harper JC; pp.336-53 in 12th Conf Environ Toxicol: Behavior of Hydrocarbon Fuels in the Aquatic Environment (1980)
Soil Adsorption
A Koc value of 166 was measured for 3-xylene using sandy aquifer materials with an foc ranging from 0.0002 to 0.0225(1). Measured Koc values in soil have been reported to be 182(2), 166 and 275(3). According to a classification scheme(3), these Koc values suggest that 3-xylene is expected to have moderate mobility in soil. A Kp value (equilibrium-sorption coefficient) of 0.049 was measured for 3-xylene using a Borden soil column (98% sand, 0.29% organic carbon)(5). Benzene/toluene/xylene mixtures containing 3-xylene, were added to soil columns using aquifer material from the Cohansey aquifer (90% sand; 4.4% organic matter; pH-3.8); a partition coefficient of 8.74 was measured for 3-xylene(6). Adsorption coefficient values of 0.25, 0.23, and 0.02 were measured for 3-xylene, present in a benzene/toluene/ethylbenzene/xylene mixture, on montmorillonite, illite, and kaolinite (all with low to no organic carbon present), respectively, using a batch equilibrium technique(7). More 3-xylene vapor was sorbed by air-dry than oven-dry soil (Evesham clay; air-dry soil contained 37 g organic C, 350 g clay, and 60 g water/kg oven-dry soil) at relative vapor pressures of 3-xylene exceeding 0.6; this suggests that the planar 3-xylene molecule is either readily adsorbed by interlayer sites in the air-dry soil (more sites potentially available than in oven-dry soil) or, as it is a fairly soluble molecule, that some will dissolve in the water film in air-dry soil(8). 3-Xylene has been observed to pass through soil unchanged in concentration at a dune-infiltration site on the Rhine River(9). A soil leaching column study estimated a 3-xylene Koc of 282 using a chromatographic methodology(10).
Literature: (1) Abdul AS et al; Hazard Waste & Hazard Mater 4: 211-22 (1987) (2) Sabljic A; Environ Sci Technol 21: 358-66 (1987) (3) Schuurmann G et al; Environ Sci Technol 40: 7005-7011 (Supporting information) (2006) (4) Swann RL et al; Res Rev 85: 17-28 (1983) (5) Hu Q et al; Environ Toxicol Chem 14: 1133-40 (1995) (6) Uchrin CG, Katz J; Bull Environ Contam Toxicol 46: 534-41 (1991) (7) Li Y, Gupta G; Chemosphere 28: 627-38 (1994) (8) Nye PH et al; J Environ Qual 23: 1031-37 (1994) (9) Piet GJ et al; Quality of Groundwater Int Symp Proc Von Duijvanbouden W et al, eds. Studies Environ Sci 17: 557-64 (1981) (10) Xu F et al; J Environ Qual 30: 1618-1623 (2001)
Vapor Pressure
PressureReference
8.29 mm Hg at 25 deg CChao J et al; J Phys Chem Ref data 12: 1033-63 (1983)
MS-Links
1D-NMR-Links

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
FungiTuber Aestivumn/aAgricultural Centre of Castilla and León Community (Monasterio de la Santa Espina, Valladolid, Spain) and Navaleno (Soria, Spain).Diaz et al., 2003
FungiPaecilomyces Variotii Bainnacompost, soils, food productsSunesson et al., 1995
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
FungiTuber Aestivumn/aHeadspace solid-phase microextraction (HS-SPME) combined with GC-MS
FungiPaecilomyces Variotii BainDG18,MEAGC/MS


Methyl Acetate

Mass-Spectra

Compound Details

Synonymous names
Methylacetaat
Methylacetat
KXKVLQRXCPHEJC-UHFFFAOYSA-N
Methylester kiseliny octove
Devoton
Methyl ethanoate
Tereton
AcOMe
MeOAc
METHYL ACETATE
METHYL-ACETATE
Octan metylu
Acetate de methyle
Methyl acetic ester
AC1L1MUS
CH3COOCH3
Methyl acetate, analytical standard
Acetic acid methyl ester
ACETIC ACID,METHYL ESTER
CH3CO2CH3
Ethyl ester of monoacetic acid
Methylacetaat [Dutch]
Methylacetat [German]
1-Methyl acetate
Methyl ester of acetic acid
Methylester kiseliny octove [Czech]
AC1Q44F6
Acetic acid, methyl ester
HSDB 95
KSC378E1T
Methyl acetate (natural)
ACMC-209tiz
CHEMBL14079
UN1231
CTK2H8219
Methyle (acetate de)
Octan metylu [Polish]
S0300
Z1774
Acetate de methyle [French]
METHYL ACETATE, 97%
Metile (acetato di)
RL05058
C17530
CCRIS 5846
W684QT396F
WLN: 1VO1
DTXSID4021767
FEMA Number 2676
LS-1774
NSC405071
OR033976
OR342054
OR342055
STL281977
UN 1231
A839618
CHEBI:77700
DSSTox_CID_1767
Methyl acetate, United States Pharmacopeia (USP) Reference Standard
UNII-W684QT396F
ZINC1597766
AN-23982
ANW-42537
CJ-25643
DSSTox_GSID_21767
KB-54707
SC-74874
TRA0094982
DSSTox_RID_76314
MFCD00008711
ZINC01597766
LT00785639
Methyl acetate, >=98%, FG
Methyl acetate, reagent grade, 95%
NSC 405071
NSC-405071
RTR-037852
TR-037852
AKOS000120042
I14-2599
J-522583
Z19628359
FEMA No. 2676
FT-0600347
FT-0621748
Methyle (acetate de) [French]
Metile (acetato di) [Italian]
79-20-9
Methyl acetate, anhydrous, 99.5%
Methyl acetate, ReagentPlus(R), 99%
Tox21_113243
Tox21_200057
CAS-79-20-9
Methyl acetate, natural, 98%, FG
MCULE-7368066093
Methyl acetate, 99% 500ml
NCGC00090940-01
NCGC00090940-02
NCGC00257611-01
EINECS 201-185-2
Methyl acetate, for HPLC, >=99.8%
Methyl acetate, JIS special grade, >=99.5%
Methyl acetate, SAJ first grade, >=99.0%
Methyl acetate [UN1231] [Flammable liquid]
7727-EP2269975A2
7727-EP2269986A1
7727-EP2269997A2
7727-EP2272822A1
7727-EP2275407A1
7727-EP2275415A2
7727-EP2280001A1
7727-EP2281821A1
7727-EP2284169A1
7727-EP2284174A1
7727-EP2287152A2
7727-EP2287161A1
7727-EP2287162A1
7727-EP2289509A2
7727-EP2292597A1
7727-EP2292609A1
7727-EP2295406A1
7727-EP2298750A1
7727-EP2298756A1
7727-EP2305642A2
7727-EP2305666A1
7727-EP2305667A2
7727-EP2305683A1
7727-EP2305825A1
7727-EP2308857A1
7727-EP2308864A1
7727-EP2311839A1
7727-EP2314589A1
7727-EP2316837A1
7727-EP2380568A1
MolPort-001-783-796
Methyl acetate [UN1231] [Flammable liquid]
InChI=1/C3H6O2/c1-3(4)5-2/h1-2H
IUPAC namemethyl acetate
SMILESCC(=O)OC
InchiInChI=1S/C3H6O2/c1-3(4)5-2/h1-2H3
FormulaC3H6O2
PubChem ID6584
Molweight74.079
LogP-0.08
Atoms11
Bonds10
H-bond Acceptor1
H-bond Donor0
Chemical Classificationesters

mVOC Specific Details

Volatilization
The Henry's Law constant for methyl acetate is 1.15X10-4 atm-cu m/mole(1). This Henry's Law constant indicates that methyl 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)(2) 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)(2) is estimated as 5 days(SRC). Methyl acetate's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). The potential for volatilization of methyl acetate from dry soil surfaces may exist(SRC) based upon a vapor pressure of 216.2 mm Hg(3).
Literature: (1) Buttery RG et al; J Agric Food Chem 17: 385-9 (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) Ambrose D et al; J Chem Therm 13: 795-802 (1981)
Soil Adsorption
The Koc of methyl acetate is estimated as 9.1(SRC), using a log Kow of 0.18(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that methyl acetate is expected to have very 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. nn (1995) (2) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.1. Nov, 2012. Available from, as of Sept 22, 2014: http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm (3) Swann RL et al; Res Rev 85: 17-28 (1983)
Vapor Pressure
PressureReference
216.2 mm Hg at 25 deg CAmbrose D et al; J Chem Therm 13: 795-802 (1981)
MS-Links
1D-NMR-Links

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
FungiTuber SimoneaNoneNone March et al., 2006
FungiTuber Aestivumn/aAyme Truffe of Grignan, 26230 France March et al., 2006
FungiTuber Brumalen/aAyme Truffe of Grignan, 26230 France March et al., 2006
FungiTuber Melanosporumn/aAyme Truffe of Grignan, 26230 France March et al., 2006
FungiTuber Mesentericumn/aAyme Truffe of Grignan, 26230 France March et al., 2006
FungiTuber MiesentericumNoneNone March et al., 2006
FungiTuber Rufumn/aAyme Truffe of Grignan, 26230 France March et al., 2006
FungiTuber Simonean/aAyme Truffe of Grignan, 26230 France March et al., 2006
FungiPaecilomyces Variotii Bainnacompost, soils, food productsSunesson et al., 1995
FungiPenicillium Commune Pittnain dry-cured meat products, cheeseSunesson et al., 1995
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
FungiTuber SimoneaNonePressure balanced head-space sampling and GC/TOF-MSNo
FungiTuber Aestivumn/aPressure balanced head-space sampling and GC/TOF-MS
FungiTuber Brumalen/aPressure balanced head-space sampling and GC/TOF-MS
FungiTuber Melanosporumn/aPressure balanced head-space sampling and GC/TOF-MS
FungiTuber Mesentericumn/aPressure balanced head-space sampling and GC/TOF-MS
FungiTuber MiesentericumNonePressure balanced head-space sampling and GC/TOF-MSNo
FungiTuber Rufumn/aPressure balanced head-space sampling and GC/TOF-MS
FungiTuber Simonean/aPressure balanced head-space sampling and GC/TOF-MS
FungiPaecilomyces Variotii BainMEAGC/MS
FungiPenicillium Commune PittMEAGC/MS


Compound Details

Synonymous names
TVMXDCGIABBOFY-UHFFFAOYSA-N
octane
Oktanen
Ottani
Normal octane
octan
Oktan
octyl group
Octane, analytical standard
n-octane
n-Oktan
X1RV0B2FJV
AC1Q2VV5
Octane, all isomers
UNII-X1RV0B2FJV
Heptane, methyl-
KSC180A3D
Oktanen [Dutch]
Ottani [Italian]
n-OCTANE, REAG
NSC9822
octan-3-yl
Oktan [Polish]
c0044
CTK0I0031
HMDB01485
HSDB 108
O0022
O0118
O0151
S0280
WLN: 8H
AC1L1924
ACMC-2099aa
CHEMBL134886
n-C8H18
RP19167
bmse000480
C01387
LTBB002318
DTXSID0026882
LP019024
LP067606
LP068562
NSC 9822
NSC-9822
Octane, anhydrous, >=99%
CHEBI:17590
DSSTox_CID_6882
ZINC1529191
AN-43081
ANW-16304
DSSTox_GSID_26882
LS-97843
SC-78848
TRA0072181
DSSTox_RID_78237
LMFA11000002
MFCD00009556
AI3-28789
Octane, reagent grade, 98%
RTR-002289
TR-002289
AKOS015904009
J-002613
ZINC112927690
FT-0696530
I14-17863
I14-91421
Tox21_202452
111-65-9
F0001-0244
CH3-[CH2]6-CH3
MCULE-3248084959
NCGC00249228-01
NCGC00260001-01
CAS-111-65-9
EINECS 203-892-1
31372-91-5
50985-84-7
n-Octane, 98% 100ml
4067-EP1441224A2
4067-EP2269986A1
4067-EP2270113A1
4067-EP2272537A2
4067-EP2272935A1
4067-EP2274983A1
4067-EP2275398A1
4067-EP2277871A1
4067-EP2277878A1
4067-EP2280005A1
4067-EP2281821A1
4067-EP2284171A1
4067-EP2289509A2
4067-EP2289879A1
4067-EP2289884A1
4067-EP2289965A1
4067-EP2292576A2
4067-EP2292606A1
4067-EP2298775A1
4067-EP2298778A1
4067-EP2298828A1
4067-EP2301918A1
4067-EP2305642A2
4067-EP2305658A1
4067-EP2308873A1
4067-EP2311804A2
4067-EP2314558A1
4067-EP2371795A1
4067-EP2374780A1
4067-EP2374781A1
4067-EP2380568A1
4067-EP2380869A1
4067-EP2380870A1
MolPort-001-783-723
15416-EP2275407A1
15416-EP2275469A1
15416-EP2287940A1
15416-EP2289965A1
15416-EP2298828A1
15416-EP2301983A1
15416-EP2305683A1
15416-EP2305825A1
15416-EP2308926A1
15416-EP2309564A1
15416-EP2309584A1
15416-EP2311821A1
15416-EP2311839A1
15416-EP2314577A1
15416-EP2314589A1
15416-EP2316837A1
Octane, p.a., 99.0%
143914-EP2287165A2
143914-EP2287166A2
143914-EP2292592A1
143914-EP2292620A2
Octane, puriss. p.a., >=99.0% (GC)
Octane, electronic grade, >=99.999% metals basis, >=99% (CP)
EEE64B73-0375-4303-AFD5-0795361807FF
InChI=1/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H
IUPAC nameoctane
SMILESCCCCCCCC
InchiInChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3
FormulaCH3-(CH2)6-CH3
PubChem ID356
Molweight114.232
LogP4.02
Atoms26
Bonds25
H-bond Acceptor0
H-bond Donor0
Chemical Classificationalkanes

mVOC Specific Details

Volatilization
The Henry's Law constant for n-octane is estimated as 3.2 atm-cu m/mole(SRC) derived from its vapor pressure, 14.1 mm Hg(1), and water solubility, 0.66 mg/L(2). This Henry's Law constant indicates that n-octane 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 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)(3) is estimated as 4.2 days(SRC). Volatilization from water surfaces may be attenuated by adsorption to suspended solids and sediment in the water column(SRC). The estimated volatilization half-life from a model pond is 11 months if adsorption is considered(4). However, in a study using a jet fuel mixture and sterile freshwater controls from the Escambia River (Florida), a 99% loss of n-octane was attributed to evaporation at 25 deg C(5). n-Octane's estimated Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). The disappearance of n-octane was rapid in soil/water mixture (concentration of soil, 25 g/150 mL)(6); an initial concentration of 0.177 ug/mL n-octane disappeared completely in 5 days using a sterile sandy loam soil with an organic matter content of 5.1%(6). The potential for volatilization of n-octane from dry soil surfaces may exist(SRC) based upon its vapor pressure(1).
Literature: (1) Yaws CL; Handbook of Vapor Pressure. Houston, TX: Gulf Pub Co. 3: 78 (1994) (2) Yalkowsky SH, He Y, eds; Handbook of aqueous solubility data. Boca Raton, FL: CRC Press p. 536 (2003) (3) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (4) US EPA; EXAMS II Computer Simulation (1987) (5) Spain JC et al; Degrad of Jet Fuel Hydrocarbons by Aquatic Microbial Communities. Tyndall AFB, FL: Air Force Eng Serv Ctr. AFESC/ESL-TR-83-26 (NTIS AD-A139791/8) p 226 (1983) (6) Dean-Ross D; Bull Environ Contam Toxicol 51: 596-99 (1993)
Soil Adsorption
The Koc of n-octane is estimated as 3.1X10+4(SRC), using a log Kow of 5.18(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that n-octane is expected to be immobile in soil. Freundlich absorption coefficients of log 4.04 and log 3.49 were measured in Oberlausitz lignite (11.1% moisture content; 53.5 wt% carbon content; 0.6 wt % nitrogen content) and Pahokee peat soil (10.2% moisture content; 46.1 wt% carbon content; 3.3 wt % nitrogen content), respectively(4). Gaseous transport of volatile n-octane in unsaturated porous media was shown to be influenced by air-water interfacial adsorption and water-partitioning(5). Sorption of n-octane from air to snow was measured, resulting in a sorption coefficient of log -4.41 cu m/sq m at -6.8 deg C(6).
Literature: (1) Miller MM et al; Environ Sci Technol 19:522-9 (1985) (2) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.1. Nov, 2012. Available from, as of Oct 30, 2013: http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm (3) Swann RL et al; Res Rev 85: 17-28 (1983) (4) Endo S et al; Environ Sci Technol 42): 5897-5903 (2008) (5) Kim H et al; Environ Sci Technol 35: 4457-62 (2001) (6) Roth CM et al; Environ Sci Technol 38: 4078-84 (2004)
Vapor Pressure
PressureReference
14.1 mm Hg at 25 deg CYaws CL; Handbook of Vapor Pressure. Vol 3: C8-C28 Compounds. Houston, TX: Gulf Pub Co, p. 78 (1994)
MS-Links
1D-NMR-Links

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaPropionibacterium Acidifaciens DSM 21887 as a biomarker for a breath test for detection of cariesHertel et al., 2015
BacteriaStreptococcus Mutans DSM 20523 as a biomarker for a breath test for detection of cariesHertel et al., 2015
BacteriaXanthomonas Campestris Pv. Vesicatoria 85-10n/aWeise et al., 2012
FungiArmillaria Mellean/aMueller et al., 2013
FungiLaccaria Bicolorn/aMueller et al., 2013
FungiPaecilomyces Variotii Bainnacompost, soils, food productsSunesson et al., 1995
FungiPaxillus Involutus MAJn/aMueller et al., 2013
FungiPaxillus Involutus NAUn/aMueller et al., 2013
FungiPholiota Squarrosan/aMueller et al., 2013
FungiTrichodema Pseudokoningiin/aWheatley et al., 1997
FungiTrichodema Viriden/aWheatley et al., 1997
FungiVerticillium Longisporumn/aMueller et al., 2013
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaPropionibacterium Acidifaciens DSM 21887Brain-Heart-Infusion agarTenaxâ„¢-trap/GC-MS
BacteriaStreptococcus Mutans DSM 20523Brain-Heart-Infusion agarTenaxâ„¢-trap/GC-MS
BacteriaXanthomonas Campestris Pv. Vesicatoria 85-10NBIIClosed airflow-system/GC-MS and PTR-MS
FungiArmillaria MelleaMelin-Nor krans synthetic medium (modified)Headspace trapping ( using stir bar sorptive extraction )/ GC-MS
FungiLaccaria BicolorMelin-Nor krans synthetic medium (modified)Headspace trapping ( using stir bar sorptive extraction )/ GC-MS
FungiPaecilomyces Variotii BainDG18,MEAGC/MS
FungiPaxillus Involutus MAJMelin-Nor krans synthetic medium (modified)Headspace trapping ( using stir bar sorptive extraction )/ GC-MS
FungiPaxillus Involutus NAUMelin-Nor krans synthetic medium (modified)Headspace trapping ( using stir bar sorptive extraction )/ GC-MS
FungiPholiota SquarrosaMelin-Nor krans synthetic medium (modified)Headspace trapping ( using stir bar sorptive extraction )/ GC-MS
FungiTrichodema PseudokoningiiMalt extract/Low mediumGC/MS
FungiTrichodema VirideMalt extract/Low mediumGC/MS
FungiVerticillium LongisporumMelin-Nor krans synthetic medium (modified)Headspace trapping ( using stir bar sorptive extraction )/ GC-MS


2,4-dimethylfuran

Mass-Spectra

Compound Details

Synonymous names
AABTWRKUKUPMJG-UHFFFAOYSA-N
2,4-DIMETHYLFURAN
AC1L2E64
Y6577
CTK1C4684
2,4-Dimethylfuran #
2,4-dimethyl-furan
2,4-dimethyl furan
HE027525
HE134124
CHEBI:89526
ZINC5362481
DTXSID50190602
KB-17640
AKOS015905551
Furan, 2,4-dimethyl-
I14-22349
3710-43-8
IUPAC name2,4-dimethylfuran
SMILESCC1=CC(=CO1)C
InchiInChI=1S/C6H8O/c1-5-3-6(2)7-4-5/h3-4H,1-2H3
FormulaC6H8O
PubChem ID19462
Molweight96.129
LogP1.83
Atoms15
Bonds15
H-bond Acceptor0
H-bond Donor0
Chemical ClassificationFuran ethers furans

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaCollimonas Fungivorans Ter331n/aGarbeva et al., 2013
BacteriaCollimonas Pratensis Ter91n/aGarbeva et al., 2013
Fungi Brock et al. 2011
FungiFusarium Culmorum PVnasandy dune soil, NetherlandsSchmidt et al., 2016
FungiPaecilomyces Variotii Bainnacompost, soils, food productsSunesson et al., 1995
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaCollimonas Fungivorans Ter331sand supplemented with artificial root exudatesHeadspace trapping/GC-MS
BacteriaCollimonas Pratensis Ter91sand supplemented with artificial root exudatesHeadspace trapping/GC-MS
Fungi no
FungiFusarium Culmorum PVpotato dextrose agarGC/MS-Q-TOFNo
FungiPaecilomyces Variotii BainMEAGC/MS


1,3,5-trimethylbenzene

Mass-Spectra

Compound Details

Synonymous names
Symmetrical trimethylbenzene
Trimethylbenzol
MESITYLENE
sym-Trimethylbenzene
AUHZEENZYGFFBQ-UHFFFAOYSA-N
s-Trimethylbenzene
Mesitylene, analytical standard
Fleet-X
Trimethylbenzene (Related)
Trimethylbenzol (Related)
ACMC-1BSDX
AC1L1PX3
3,5-Dimethyltoluene
1,3,5??RIMETHYLBENZENE
HSDB 92
KSC177Q3P
Mesitylene, 98%
NSC9273
UN2325
CTK0H7837
S0658
X8424
BIDD:ER0286
Mesitylene, certified reference material, TraceCERT(R)
RL00374
RP19384
STR03436
1,3,5-Trimethylbenezene
1,3,5-Trimethylbenzene
2,4,6-trimethylbenzene
887L18KQ6X
C14508
CCRIS 8147
CHEMBL1797281
DTXSID6026797
Jsp000729
MP-2176
NSC 9273
NSC-9273
OR000442
OR199874
OR199875
OR236933
OR240708
SBB060395
STL268905
UN 2325
A801911
CHEBI:34833
DSSTox_CID_6797
UNII-887L18KQ6X
ZINC1699890
AJ-30418
AK-98163
AN-22521
ANW-15967
CJ-06654
DSSTox_GSID_26797
KB-53516
LS-89876
Mesitylene, reagent grade, 97%
SC-76695
ST2413206
TRA0097417
1,3,5-trimethyl-benzene
BENZENE,1,3,5-TRIMETHYL
DSSTox_RID_78217
MFCD00008538
UNII-A3F3279Q14 component AUHZEENZYGFFBQ-UHFFFAOYSA-N
ZINC01699890
AI3-23973
RTR-001982
ST51046584
TR-001982
AKOS000120144
J-002179
J-521685
S01-0587
FT-0606520
benzene, 1,3,5-trimethyl
Trimethylbenzene, 1,3,5-
AZ0001-0009
Tox21_201452
Tox21_300341
WLN: 1R C1 E1
108-67-8
F0001-0175
Mesitylene, 98% 100ml
Z1262253023
Benzene, 1,3,5-trimethyl-
MCULE-4050779572
METHYL, (3,5-DIMETHYLPHENYL)-
NCGC00247999-01
NCGC00247999-02
NCGC00254430-01
NCGC00259003-01
CAS-108-67-8
EINECS 203-604-4
PHENYL, 2,4,6-TRIMETHYL-
7720-EP2269986A1
7720-EP2269995A1
7720-EP2275469A1
7720-EP2277878A1
7720-EP2280005A1
7720-EP2284165A1
7720-EP2287940A1
7720-EP2289868A1
7720-EP2289884A1
7720-EP2289965A1
7720-EP2292593A2
7720-EP2292597A1
7720-EP2295406A1
7720-EP2298767A1
7720-EP2301918A1
7720-EP2305649A1
7720-EP2305668A1
7720-EP2305676A1
7720-EP2311804A2
7720-EP2314587A1
7720-EP2371831A1
7720-EP2380568A1
MolPort-001-757-274
Mesitylene, purum, >=98.0% (GC)
1,3,5-Trimethylbenzene [UN2325] [Flammable liquid]
1,3,5-Trimethylbenzene [UN2325] [Flammable liquid]
InChI=1/C9H12/c1-7-4-8(2)6-9(3)5-7/h4-6H,1-3H
IUPAC name1,3,5-trimethylbenzene
SMILESCC1=CC(=CC(=C1)C)C
InchiInChI=1S/C9H12/c1-7-4-8(2)6-9(3)5-7/h4-6H,1-3H3
FormulaC9H12
PubChem ID7947
Molweight120.195
LogP3.51
Atoms21
Bonds21
H-bond Acceptor0
H-bond Donor0
Chemical Classificationbenzenoids alkylbenzenes

mVOC Specific Details

Volatilization
The Henry's Law constant for 1,3,5-trimethylbenzene was measured as 8.77X10-3 atm-cu m/mole(1). This Henry's Law constant indicates that 1,3,5-trimethylbenzene is expected to volatilize rapidly from water surfaces(2). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec)(2) is estimated as 1.2 hours(SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(2) is estimated as 4.4 days(SRC). 1,3,5-Trimethylbenzene's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). 1,3,5-Trimethylbenzene is expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 2.48 mm Hg(3). Residence times (with respect to volatilization) for 1,3,5-trimethylbenzene were calculated as 220 hours for both winter and summer conditions in Narragansett Bay(4). Complete removal of 1,3,5-trimethylbenzene (at 0.035 ug/ml soil extract) from sandy loam soil samples contaminated with jet fuel was reported within 5 days; sterile samples with 1,3,5-trimethylbenzene at 0.035 ug/ml soil extract also showed complete removal of this compound within 5 days, probably by evaporation(5).
Literature: (1) Sanemasa,I et al; Bull Chem Soc Jpn 55: 1054-62 (1982) (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) Wakeham SG et al; Canad J Fish Aquat Sci 40: 304-21 (1983) (5) Dean-Ross D; Bull Environ Contam Toxicol 51: 596-99 (1993)
Soil Adsorption
The Koc of 1,3,5-trimethylbenzene has been measured at a range of 501-1,445(1-4). According to a classification scheme(5), this Koc range suggests that 1,3,5-trimethylbenzene is expected to have low mobility in soil. 1,3,5-Trimethylbenzene was detected in soil leachate samples following the addition of crude oil to the surface of a soil trough filled with sand(6).
Literature: (1) Schwarzenbach RP, Westall J; Environ Sci Technol 15: 1360-67 (1981) (2) Borisover MD et al; Chemosphere 34: 1761-1776 (1997) (3) Wiedemeier TH et al; Ground Water Monit Remed 16: 186-194 (1996) (4) XU F et al; J Environ Qual 30: 1618-1623 (2001) (5) Swann RL et al; Res Rev 85: 17-28 (1983) (6) Duffy JJ et al; Environ Internat 3: 107-120 (1980)
Vapor Pressure
PressureReference
2.48 mm Hg at 25 deg CDaubert, T.E., R.P. Danner. Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, D.C.: Taylor and Francis, 1989.
MS-Links

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaStreptococcus Mutans DSM 20523 as a biomarker for a breath test for detection of cariesHertel et al., 2015
FungiFusarium Graminearum 15AcDONn/aBusko et al., 2014
FungiFusarium Graminearum 15AcDON 1001tan/aBusko et al., 2014
FungiFusarium Graminearum 15AcDON ZFR 29n/aBusko et al., 2014
FungiFusarium Graminearum 15AcDON_4n/aBusko et al., 2014
FungiFusarium Graminearum 15AcDON_5n/aBusko et al., 2014
FungiFusarium Graminearum 15AcDON_6n/aBusko et al., 2014
FungiFusarium Graminearum 15AcDON_7n/aBusko et al., 2014
FungiFusarium Graminearum 15AcDON_8n/aBusko et al., 2014
FungiFusarium Graminearum 15AcDON_9n/aBusko et al., 2014
FungiFusarium Graminearum 3AcDON 1002tn/aBusko et al., 2014
FungiFusarium Graminearum 3AcDON 11791n/aBusko et al., 2014
FungiFusarium Graminearum 3AcDON 1509n/aBusko et al., 2014
FungiFusarium Graminearum 3AcDON 8046n/aBusko et al., 2014
FungiFusarium Graminearum 3AcDON NRRL38369n/aBusko et al., 2014
FungiFusarium Graminearum 3AcDON NRRL6394n/aBusko et al., 2014
FungiFusarium Graminearum 3AcDON ZFR 15n/aBusko et al., 2014
FungiFusarium Graminearum 3AcDON ZFR 37n/aBusko et al., 2014
FungiFusarium Graminearum 3AcDON ZFR 51n/aBusko et al., 2014
FungiFusarium Graminearum NIVn/aBusko et al., 2014
FungiFusarium Graminearum NIV 357n/aBusko et al., 2014
FungiFusarium Graminearum NIV ZFR 119n/aBusko et al., 2014
FungiFusarium Graminearum NIV ZFR 23n/aBusko et al., 2014
FungiFusarium Graminearum NIV ZFR 48n/aBusko et al., 2014
FungiFusarium Graminearum NIV_5n/aBusko et al., 2014
FungiFusarium Graminearum NIV_6n/aBusko et al., 2014
FungiFusarium Graminearum NIV_7n/aBusko et al., 2014
FungiFusarium Graminearum NIV_8n/aBusko et al., 2014
FungiPaecilomyces Variotii Bainnacompost, soils, food productsSunesson et al., 1995
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaStreptococcus Mutans DSM 20523Brain-Heart-Infusion agarTenaxâ„¢-trap/GC-MS
FungiFusarium Graminearum 15AcDONyeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 15AcDON 1001tayeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 15AcDON ZFR 29yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 15AcDON_4yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 15AcDON_5yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 15AcDON_6yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 15AcDON_7yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 15AcDON_8yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 15AcDON_9yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 3AcDON 1002tyeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 3AcDON 11791yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 3AcDON 1509yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 3AcDON 8046yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 3AcDON NRRL38369yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 3AcDON NRRL6394yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 3AcDON ZFR 15yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 3AcDON ZFR 37yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 3AcDON ZFR 51yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum NIVyeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum NIV 357yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum NIV ZFR 119yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum NIV ZFR 23yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum NIV ZFR 48yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum NIV_5yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum NIV_6yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum NIV_7yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum NIV_8yeast extract sucrose agarSPME/GC-MS
FungiPaecilomyces Variotii BainDG18,MEAGC/MS


(3E)-2-methylpenta-1,3-diene

Mass-Spectra

Compound Details

Synonymous names
RCJMVGJKROQDCB-SNAWJCMRSA-N
AC1LCVL9
CH2=C(CH3)CH=CHCH3
OR083502
OR035047
NSC123452
DTXSID3061506
ZINC1713179
FCH3462135
FCH1560940
AN-20584
2-METHYL-1,3-PENTADIENE
2-Methylpenta-1,3-diene
NSC-123452
NSC 123452
trans-2-Methylpenta-1,3-diene
trans-2-Methyl-1,3-pentadiene
W-109642
AKOS006229866
FT-0612886
2-Methyl-1,3-pentadiene,c&t
(E)-CH2=C(CH3)CH=CHCH3
926-54-5
3B1-009028
3B1-000449
2,4-Dimethyl-1,3-butadiene
1,3-Dimethyl-1,3-butadiene
1118-58-7
1,3-Pentadiene, 2-methyl-
EINECS 213-136-2
EINECS 214-264-1
(e)-2-methyl-1,3-pentadiene
(3E)-2-methylpenta-1,3-diene
2-METHYL-1,3-PENTADIENE, CIS/TRANS MIXTURE,99%
TRANS-2-METHYL-1,3-PENTADIENE STAB. 98+%
1,3-Pentadiene, 2-methyl-, (E)-
1,3-pentadiene, 2-methyl-, (3E)-
InChI=1/C6H10/c1-4-5-6(2)3/h4-5H,2H2,1,3H3/b5-4
IUPAC name(3E)-2-methylpenta-1,3-diene
SMILESCC=CC(=C)C
InchiInChI=1S/C6H10/c1-4-5-6(2)3/h4-5H,2H2,1,3H3/b5-4+
FormulaC6H10
PubChem ID638070
Molweight82.146
LogP2.26
Atoms16
Bonds15
H-bond Acceptor0
H-bond Donor0
Chemical Classificationalkenes

mVOC Specific Details


Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
FungiPaecilomyces Variotii Bainnacompost, soils, food productsSunesson et al., 1995
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
FungiPaecilomyces Variotii BainMEAGC/MS


2-methylpropyl Formate

Mass-Spectra

Compound Details

Synonymous names
Isobutylester kyseliny mravenci
Isobutyl methanoate
Isobutyl methanote
AVMSWPWPYJVYKY-UHFFFAOYSA-N
ISOBUTYL FORMATE
Tetryl formate
Formic acid isobutyl
2-Methylpropyl formate
Iso-butyl formate
Formic Acid Isobutyl Ester
AC1L1WBB
Isobutylester kyseliny mravenci [Czech]
6OCL1KXH0Q
UNII-6OCL1KXH0Q
Isobutyl formate (natural)
Formic acid,2-methylpropyl ester
Formic acid, isobutyl ester
KSC600E0F
UN2393
7321AF
NSC6968
ACMC-209lex
SCHEMBL25812
F0055
Isobutyl formate, 97%
CTK5A0202
Formic acid, 2-methylpropyl ester
WLN: VHO1Y1&1
OR020277
2-Methyl-1-propyl formate
UN 2393
LS-2852
SBB061244
DTXSID7060257
NSC 6968
NSC-6968
OR300289
OR300287
ZINC1867146
KB-52727
CJ-07278
CJ-30661
ANW-32023
ZINC01867146
MFCD00003293
Isobutyl formate, >=95%, FG
TR-019194
ST51047284
AI3-24240
AKOS015903490
FT-0627357
FEMA No. 2197
BRN 1738888
I14-19129
542-55-2
MCULE-8234906771
EINECS 208-818-1
Isobutyl formate [UN2393] [Flammable liquid]
PROPYL, 1-(FORMYLOXY)-2-METHYL-
PROPYL, 3-(FORMYLOXY)-2-METHYL-
MolPort-003-926-909
Isobutyl formate [UN2393] [Flammable liquid]
ETHYL, 2-(FORMYLOXY)-1,1-DIMETHYL-
4-02-00-00029 (Beilstein Handbook Reference)
InChI=1/C5H10O2/c1-5(2)3-7-4-6/h4-5H,3H2,1-2H
IUPAC name2-methylpropyl formate
SMILESCC(C)COC=O
InchiInChI=1S/C5H10O2/c1-5(2)3-7-4-6/h4-5H,3H2,1-2H3
FormulaC5H10O2
PubChem ID10957
Molweight102.133
LogP1.12
Atoms17
Bonds16
H-bond Acceptor1
H-bond Donor0
Chemical Classificationesters

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaKlebsiella Pneumoniae ATCC 13883Rees et al. 2016
FungiPaecilomyces Variotii Bainnacompost, soils, food productsSunesson et al., 1995
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaKlebsiella Pneumoniae ATCC 13883LBSPME / GCxGC-TOFMSno
FungiPaecilomyces Variotii BainDG18GC/MS


2,5-dimethylfuran

Mass-Spectra

Compound Details

Synonymous names
GSNUFIFRDBKVIE-UHFFFAOYSA-N
ACMC-1AVPG
DR5HL9OJ7Y
AC1L1Z7R
UNII-DR5HL9OJ7Y
2,5-Dimethylfurane
2,5-DIMETHYLFURAN
KSC357C4R
KM0638
NSC6220
D0725
CTK2F7148
OR28939
AM81813
STR09233
2,5-Dimethyl furane
2.5-dimethyl furan
CCRIS 3158
2,5-dimethyl-furan
2,5-Dimethyl furan
DTXSID7022093
HE027522
HE135432
HE135433
CHEMBL1416448
LS-1503
NSC 6220
NSC-6220
PS-9347
ZINC1693339
CHEBI:89052
DSSTox_CID_2093
AN-46837
ANW-34277
TL8004196
DSSTox_GSID_22093
CJ-06536
KB-18014
ZINC01693339
MFCD00003250
DSSTox_RID_76486
RTR-037326
KB-165395
AI3-21212
DB-015920
TR-037326
I14-7193
Q-100722
AKOS000120051
2,5-Dimethylfuran, >=99%
I14-1106
FT-0655041
2,5-Dimethylfuran, 99%
FT-0610466
Furan, 2,5-dimethyl-
WLN: T5OJ B1 E1
I14-22175
Tox21_202472
2,5-Dimethyl-13C2-furan
625-86-5
F0001-1679
NCGC00260021-01
NCGC00091694-01
MCULE-2776549830
CAS-625-86-5
EINECS 210-914-3
MolPort-016-633-152
InChI=1/C6H8O/c1-5-3-4-6(2)7-5/h3-4H,1-2H
IUPAC name2,5-dimethylfuran
SMILESCC1=CC=C(O1)C
InchiInChI=1S/C6H8O/c1-5-3-4-6(2)7-5/h3-4H,1-2H3
FormulaC6H8O
PubChem ID12266
Molweight96.129
LogP1.51
Atoms15
Bonds15
H-bond Acceptor0
H-bond Donor0
Chemical Classificationethers furans

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
Fungi Sunesson et al. 1995
FungiPaecilomyces Variotii Bainnacompost, soils, food productsSunesson et al., 1995
FungiPenicillium Commune Pittnain dry-cured meat products, cheeseSunesson et al., 1995
FungiPenicillium Crustosumcompost Fischer et al. 2006
FungiPenicillium Cyclopiumcompost Fischer et al. 2006
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
Fungi no
FungiPaecilomyces Variotii BainDG18GC/MS
FungiPenicillium Commune PittDG18GC/MS
FungiPenicillium Crustosumyest extract sucroseTenax/GC-MSno
FungiPenicillium Cyclopiumyest extract sucroseTenax/GC-MSno


Compound Details

Synonymous names
Oxacyclopentadiene
Furfuran
Furfurane
YLQBMQCUIZJEEH-UHFFFAOYSA-N
Divinylene oxide
Furane
Tetrole
Axole
FURAN
Oxol
Oxole
tetrole oxide
FU1
Furan, analytical standard
AC1L1Q3O
ACMC-20akul
furane (misspelling)
UC0XV6A8N9
HSDB 89
UN2389
UNII-UC0XV6A8N9
F0074
Furan, >=99%
CHEMBL278980
Furan, 98%
LS-495
RP18282
C14275
CCRIS 3159
DSSTox_CID_646
LTBB002272
RCRA waste number U124
DTXSID6020646
HE027258
HE295000
HE295001
UN 2389
A802126
CHEBI:35559
NCI-C56202
ZINC2041074
AN-42977
CJ-32484
DSSTox_GSID_20646
SC-46325
DSSTox_RID_75708
MFCD00003222
ZINC02041074
AI3-24244
RTR-002110
TR-002110
AKOS000120038
J-002361
RCRA waste no. U124
S14-1477
BRN 0103221
FT-0626569
I14-22068
Tox21_200920
110-00-9
F0001-0213
1,4-Epoxy-1,3-butadiene
MCULE-6076190179
NCGC00091774-01
NCGC00091774-02
NCGC00258474-01
CAS-110-00-9
EINECS 203-727-3
Furan [UN2389] [Flammable liquid]
Furan, 99%, stabilized 100ml
6015-EP0930075A1
6015-EP2269978A2
6015-EP2269985A2
6015-EP2269990A1
6015-EP2269991A2
6015-EP2270005A1
6015-EP2270006A1
6015-EP2270010A1
6015-EP2270113A1
6015-EP2270114A1
6015-EP2270505A1
6015-EP2272491A1
6015-EP2272517A1
6015-EP2272813A2
6015-EP2272828A1
6015-EP2272832A1
6015-EP2272846A1
6015-EP2272935A1
6015-EP2272972A1
6015-EP2272973A1
6015-EP2275395A2
6015-EP2275401A1
6015-EP2277858A1
6015-EP2277871A1
6015-EP2277872A1
6015-EP2277874A1
6015-EP2280000A1
6015-EP2280009A1
6015-EP2281563A1
6015-EP2281812A1
6015-EP2281815A1
6015-EP2281818A1
6015-EP2281824A1
6015-EP2283898A1
6015-EP2284149A1
6015-EP2284150A2
6015-EP2284151A2
6015-EP2284152A2
6015-EP2284153A2
6015-EP2284155A2
6015-EP2284156A2
6015-EP2284157A1
6015-EP2284164A2
6015-EP2284174A1
6015-EP2284920A1
6015-EP2287140A2
6015-EP2287148A2
6015-EP2287150A2
6015-EP2287167A1
6015-EP2289871A1
6015-EP2292586A2
6015-EP2292590A2
6015-EP2292592A1
6015-EP2292593A2
6015-EP2292611A1
6015-EP2292613A1
6015-EP2292619A1
6015-EP2292630A1
6015-EP2295399A2
6015-EP2295402A2
6015-EP2295406A1
6015-EP2295412A1
6015-EP2295413A1
6015-EP2295419A2
6015-EP2295426A1
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MolPort-001-779-783
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Furan [UN2389] [Flammable liquid]
142209-EP2270010A1
142209-EP2292593A2
Furan, stabilized with 0.025 to 0.04% BHT
5-17-01-00291 (Beilstein Handbook Reference)
BRD-K65278478-001-01-0
InChI=1/C4H4O/c1-2-4-5-3-1/h1-4
IUPAC namefuran
SMILESC1=COC=C1
InchiInChI=1S/C4H4O/c1-2-4-5-3-1/h1-4H
FormulaC4H4O
PubChem ID8029
Molweight68.075
LogP1.11
Atoms9
Bonds9
H-bond Acceptor0
H-bond Donor0
Chemical ClassificationFurans ethers heterocyclic compounds

mVOC Specific Details

Volatilization
The Henry's Law constant for furan is estimated as 5.4X10-3 atm-cu m/mole(SRC) derived from its vapor pressure, 600 mm Hg(1), and water solubility, 10,000 mg/L(2). This Henry's Law constant indicates that furan 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 2.5 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 3.3 days(SRC). Furan's estimated Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). The potential for volatilization of furan 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 Chemicals: Data Compilation; Design Inst Phys Prop Data, Amer Inst Chem Eng. New York, NY: Hemisphere Pub Corp, 4 Vol (1989) (2) Valvani SC et al; J Pharm Sci 70: 502-7 (1981) (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 furan can be estimated to be 80(SRC). According to a classification scheme(2), this estimated Koc value suggests that furan is expected to have high mobility in soil.
Literature: (1) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.0. Jan, 2009. Available from, as of Aug 31, 2010: http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm (2) Swann RL et al; Res Rev 85: 17-28 (1983)
Vapor Pressure
PressureReference
600 mm Hg at 25 deg C /from experimentally derived coefficients/Daubert, T.E., R.P. Danner. Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, D.C.: Taylor and Francis, 1989.

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaKlebsiella Pneumoniae ATCC 13883Rees et al. 2017
Fungi Paecilomyces VariotiiSunesson et al. 1995
FungiPaecilomyces Variotii Bainnacompost, soils, food productsSunesson et al., 1995
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaKlebsiella Pneumoniae ATCC 13883LBSPME / GCxGC-TOFMSno
Fungi Paecilomyces Variotiino
FungiPaecilomyces Variotii BainDG18GC/MS