Results for:
Species: Thermomonospora fusca DSM 43792

Benzaldehyde

Mass-Spectra

Compound Details

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

mVOC Specific Details

Volatilization
The Henry's Law constant for benzaldehyde is 2.67X10-5 atm-cu m/mole(1). This Henry's Law constant indicates that benzaldehyde is expected to volatilize from water surfaces(2). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec)(2) is estimated as 1.5 days (SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(2) is estimated as 14 days(SRC). Benzaldehyde's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). Benzaldehyde is expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 1.27 mm Hg at 25 deg C(3).
Literature: (1) Betterton EA, Hoffmann MR; Environ Sci Technol 22: 1415-8 (1988) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (3) Ambrose D et al; J Chem Therm 7: 1143-57 (1975)
Soil Adsorption
Using a structure estimation method based on molecular connectivity indices(1), the Koc of benzaldehyde can be estimated to be 11(SRC). According to a classification scheme(2), this estimated Koc value suggests that benzaldehyde is expected to have very high mobility in soil.
Literature: (1) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.1. Nov, 2012. Available from, as of May 30, 2016: http://www2.epa.gov/tsca-screening-tools/ (2) Swann RL et al; Res Rev 85: 17-28 (1983)
Vapor Pressure
PressureReference
1.27 mm Hg at 25 deg CAmbrose D et al; J Chem Therm 7: 1143-57 (1975)
MS-Links
1D-NMR-Links

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


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


2-methylbuta-1,3-diene

Mass-Spectra

Compound Details

Synonymous names
Isopentadiene
isoterpene
Chlorinated natural rubber
beta-Methylbivinyl
isopreno
ISOPRENE
RRHGJUQNOFWUDK-UHFFFAOYSA-N
Isopren
Polyisoprene, chlorinated
2-Methylbutadiene
Isoprene, analytical standard
2-Methyldivinyl
Isoprene, inhibited
AC1L1MSM
ISOPRENE, REAG
AC1Q1J4I
AC1Q1J4J
.beta.-Methylbivinyl
ACMC-209slm
NSC9237
7380AF
UN1218
Isoprene, >=99%
HSDB 620
I0160
I0772
CTK2H7308
RL05044
CH2=C(CH3)CH=CH2
CCRIS 6253
C16521
bmse000844
DSSTox_CID_761
0A62964IBU
LTBB001094
LS-1754
DTXSID2020761
NSC 9237
NSC-9237
OR000132
OR098975
OR327531
OR341562
CHEMBL1566132
UNII-0A62964IBU
ZINC1699876
CHEBI:35194
ANW-41336
DSSTox_GSID_20761
AN-42118
WLN: 1UY1&1U1
KB-52802
TRA0042245
DSSTox_RID_75776
MFCD00008600
TR-037841
3-Methyl-1,3-butadiene
2-Methylbuta-1,3-diene
2-Methyl-1,3-butadiene
RTR-037841
J-509898
AKOS000119971
FT-0627457
I14-49147
I14-19787
78-79-5
Tox21_200067
2-methyl-buta-1,3-diene
3B1-007327
CAS-78-79-5
NCGC00257621-01
NCGC00091078-02
NCGC00091078-01
1,3-Butadiene, 2-methyl-
EINECS 201-143-3
Isoprene, 99%, stabilized 100ml
UN 1218 (Salt/Mix)
68441-58-7
78006-92-5
954-EP2301924A1
954-EP2272935A1
954-EP2272843A1
1,3-Butadiene, 2-methyl-, homopolymer
954-EP2374781A1
954-EP2374780A1
954-EP2305825A1
954-EP2305668A1
954-EP2277945A1
954-EP2298313A1
954-EP2275427A1
954-EP2281817A1
954-EP2270113A1
954-EP2270101A1
823271-95-0
Isoprene, inhibited [UN1218] [Flammable liquid]
1,3-Butadiene, 2-methyl-, homopolymer, chlorinated
3-BUTENYL, 2-METHYLENE-(8CI,9CI)
Isoprene, 99%, contains <1000 ppm p-tert-butylcatechol as inhibitor
Isoprene, inhibited [UN1218] [Flammable liquid]
InChI=1/C5H8/c1-4-5(2)3/h4H,1-2H2,3H
IUPAC name2-methylbuta-1,3-diene
SMILESCC(=C)C=C
InchiInChI=1S/C5H8/c1-4-5(2)3/h4H,1-2H2,3H3
FormulaC5H8
PubChem ID6557
Molweight68.119
LogP1.88
Atoms13
Bonds12
H-bond Acceptor0
H-bond Donor0
Chemical ClassificationAlkenes

mVOC Specific Details

Volatilization
The Henry's Law constant for isoprene is estimated as 0.077 atm-cu m/mole(SRC) derived from its vapor pressure, 550 mm Hg(1), and water solubility, 642 mg/L(2). This Henry's Law constant indicates that isoprene is expected to volatilize rapidly from water surfaces(3). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec)(3) is estimated as 2.4 hours(SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(3) is estimated as 3.3 days(SRC). Isoprene's estimated Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). The potential for volatilization of isoprene from dry soil surfaces may exist(SRC) based upon its vapor pressure(1).
Literature: (1) Zwolinski BJ, Wilhoit RC; Handbook of Vapor Pressures and Heats of Formation of Hydrocarbons and Related Compounds. API44-TRC101 College Station, TX: Thermodynamics Res Ctr p. 48 (1971) (2) McAuliffe C; J Phys Chem 70: 1267-75 (1966) (3) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990)
Soil Adsorption
The Koc of isoprene is estimated as 61(SRC), using a log Kow of 2.42(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that isoprene is expected to have high mobility in soil.
Literature: (1) Chemicals Inspection and Testing Institute. Japan Chemical Industry Ecology - Toxicology and Information Center. ISBN 4-89074-101-1 (1992) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 4-9 (1990) (3) Swann RL et al; Res Rev 85: 17-28 (1983)
Vapor Pressure
PressureReference
550 mm Hg at 25 deg CZwolinski BJ, Wilhoit RC; Handbook of Vapor Pressures and Heats of Vaporization of Hydrocarbons and Related Compounds. API44-TRC101 College Station, TX: Thermodynamics Res Ctr p. 48 (1971)

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


Butan-2-one

Mass-Spectra

Compound Details

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

mVOC Specific Details

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

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


Pentan-3-one

Mass-Spectra

Compound Details

Synonymous names
Dimethylacetone
diathylketon
Diethylcetone
DIETHYLKETONE
Metacetone
Methacetone
FDPIMTJIUBPUKL-UHFFFAOYSA-N
Propione
dimethyl acetone
Ethyl propionyl
Diethyl ketone
DEK
diethylcetone(french)
Ethyl ketone
ethyl ethyl ketone
3-oxopentane
AC1L1OFJ
AC1Q2ROK
AC1Q5GYE
3-pentanon
3-PENTANONE
di-ethyl ketone
Pentanone-3
Diethylcetone [French]
UNII-Y4Y2BRI5UL component FDPIMTJIUBPUKL-UHFFFAOYSA-N
1,3-Dimethylacetone
3-Pentanone, analytical standard
9SLZ98M9NK
KSC492E6L
Pentan-3-one
3-Oxylatopentane-3-ylium
7317AF
CHEMBL45315
NSC8653
UN1156
UNII-9SLZ98M9NK
CTK3J2265
P0061
ACMC-209s6p
RP18460
HSDB 5301
WLN: 2V2
BBL027755
DTXSID6021820
NSC 8653
NSC-8653
OR034165
OR128391
OR245564
STL281851
UN 1156
(C2H5)2CO
1-pentan-3-one
3-Pentanone, >=99%
A845564
CHEBI:87755
DSSTox_CID_1820
ZINC1648158
AN-24339
ANW-40799
CJ-26591
DSSTox_GSID_21820
KB-33099
SC-75292
TRA0007787
BB_SC-6948
DSSTox_RID_76347
LMFA12000001
MFCD00009320
ZINC01648158
AI3-24337
LS-101912
RTR-030127
TR-030127
AKOS000119714
I14-4162
FT-0616299
96-22-0
Z234895377
Tox21_200677
F0001-2290
BUTYL, 1-METHYL-2-OXO-
CAS-96-22-0
3-Pentanone, for HPLC, 96%
3-Pentanone, ReagentPlus(R), >=99%
MCULE-8236549739
NCGC00166068-01
NCGC00166068-02
NCGC00258231-01
EINECS 202-490-3
Diethyl ketone [UN1156] [Flammable liquid]
3-Pentanone, 99% 100ml
MolPort-001-770-065
26071-EP2314558A1
92820-EP2269986A1
92820-EP2272825A2
92820-EP2295414A1
92820-EP2305649A1
Diethyl ketone [UN1156] [Flammable liquid]
103051-EP2269986A1
103051-EP2287154A1
103051-EP2289879A1
103051-EP2298753A1
103051-EP2301918A1
3-Pentanone, ReagentPlus(R), >=99.0% (GC)
InChI=1/C5H10O/c1-3-5(6)4-2/h3-4H2,1-2H
IUPAC namepentan-3-one
SMILESCCC(=O)CC
InchiInChI=1S/C5H10O/c1-3-5(6)4-2/h3-4H2,1-2H3
FormulaCH3CH2COCH2CH3
PubChem ID7288
Molweight86.134
LogP1.51
Atoms16
Bonds15
H-bond Acceptor1
H-bond Donor0
Chemical ClassificationKetones Ketone

mVOC Specific Details

Volatilization
The Henry's Law constant for diethyl ketone is 5.0X10-5 atm-cu m/mole(1). This Henry's Law constant indicates that diethyl 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 19 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 8.6 days(SRC). diethyl ketone's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). Diethyl ketone is expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 37.7 mm Hg(3).
Literature: (1) Sander R; Compilation of Henry's Law constants for Inorganic and Organic Species of Potential Importance in Environmental Chemistry. (ver. 3) (1999). Available at http://www.henrys-law.org as of Aug 30, 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) Daubert TE, Danner RP; Physical and Thermodynamic Properties of Pure Chemicals: Data Compilation. NY, NY: Hemisphere Pub Corp, (1989)
Soil Adsorption
The Koc of diethyl ketone is estimated as 82(SRC), using a log Kow of 0.99(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that diethyl ketone is expected to have high mobility in soil.
Literature: (1) Hansch C et al; Exploring QSAR. Hydrophobic, Electronic, and Steric Constants. ACS Prof Ref Book. Heller SR, consult. ed., Washington, DC: Amer Chem Soc p. 14 (1995) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 4-9 (1990) (3) Swann RL et al; Res Rev 85: 17-28 (1983)
Vapor Pressure
PressureReference
37.7 mm Hg at 25 deg CDaubert, T.E., R.P. Danner. Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, D.C.: Taylor and Francis, 1989.

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaCollimonas Fungivorans Ter331n/aGarbeva et al., 2013
BacteriaCollimonas Pratensis TER91narhizosphere of Marram grass in sandy dune soils, NetherlandsGarbeva et al., 2014
BacteriaPaenibacillus Sp. P4narhizosphere of Marram grass in sandy dune soils, NetherlandsGarbeva et al., 2014
BacteriaPedobacter Sp. V48narhizosphere of Marram grass in sandy dune soils, NetherlandsGarbeva et al., 2014
BacteriaSerratia Plymuthica PRI-2Cnamaize rhizosphere, NetherlandsGarbeva et al., 2014
BacteriaThermomonospora Fusca DSM 43792nasoilWilkins, 1996
FungiCladosporium Cladosporioides Ellisnaindoor, outdoor, on a wide range of materialsSunesson et al., 1995
BacteriaActinomycetes Spp.n/aSchulz and Dickschat, 2007
BacteriaCyanobacterian/aSchulz and Dickschat, 2007
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaCollimonas Fungivorans Ter331Headspace trapping/GC-MS
BacteriaCollimonas Pratensis TER91sand containing artificial root exudatesGC/MSNo
BacteriaPaenibacillus Sp. P4sand containing artificial root exudatesGC/MSNo
BacteriaPedobacter Sp. V48sand containing artificial root exudatesGC/MSNo
BacteriaSerratia Plymuthica PRI-2Csand containing artificial root exudatesGC/MSNo
BacteriaThermomonospora Fusca DSM 43792Nutrient agar CM3GC/MS
FungiCladosporium Cladosporioides EllisDG18GC/MS
BacteriaActinomycetes Spp.n/an/a
BacteriaCyanobacterian/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


5-methylhexan-3-one

Mass-Spectra

Compound Details

Synonymous names
Ethylisobutylketone
ethyl isobutylketone
DXVYLFHTJZWTRF-UHFFFAOYSA-N
Isobutyl ethyl ketone
ETHYL ISOBUTYL KETONE
AC1L1Z1I
HMDB05841
CTK2F6303
E0249
ACMC-209n2n
SCHEMBL103502
5-Methylhexan-3-one
5-Methyl-3-hexanone
2-Methyl-4-hexanone
OR024970
AK113870
ZINC2034329
CHEBI:89209
A833734
DTXSID90211360
CJ-31847
ANW-34173
TL8004125
AJ-32979
ZINC02034329
LMFA12000088
MFCD00009319
DB-054139
TC-122918
KB-198035
AKOS009158853
FT-0632619
3-Hexanone, 5-methyl-
623-56-3
EINECS 210-801-9
IUPAC name5-methylhexan-3-one
SMILESCCC(=O)CC(C)C
InchiInChI=1S/C7H14O/c1-4-7(8)5-6(2)3/h6H,4-5H2,1-3H3
FormulaC7H14O
PubChem ID12187
Molweight114.188
LogP2.24
Atoms22
Bonds21
H-bond Acceptor1
H-bond Donor0
Chemical ClassificationKetones

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaBurkholderia Ambifaria LMG 19467n/aclinicalGroenhagen et al., 2013
BacteriaThermomonospora Fusca DSM 43792nasoilWilkins, 1996
BacteriaMyxobacterium Spp.n/aSchulz and Dickschat, 2007
BacteriaStigmatella Aurantiacan/aSchulz and Dickschat, 2007
BacteriaStigmatella Aurantiaca DW4/3-1n/aDickschat et al., 2005_5
BacteriaStigmatella Aurantiaca Sg A15n/aDickschat et al., 2005_5
BacteriaThermomonospora Fuscan/aSchulz and Dickschat, 2007
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaBurkholderia Ambifaria LMG 19467Luria-Bertani medium, Malt Extractn/a
BacteriaThermomonospora Fusca DSM 43792Nutrient agar CM3GC/MS
BacteriaMyxobacterium Spp.n/an/a
BacteriaStigmatella Aurantiacan/an/a
BacteriaStigmatella Aurantiaca DW4/3-1n/an/a
BacteriaStigmatella Aurantiaca Sg A15n/an/a
BacteriaThermomonospora Fuscan/an/a


(methyldisulfanyl)methane

Mass-Spectra

Compound Details

Synonymous names
Methyldisulfanylmethane
Methyldithiomethane
dimethyldisulphide
Dimethyldisulfide
methyldisulfanyl methane
Methyldisulfide
Dimethyl disulphide
WQOXQRCZOLPYPM-UHFFFAOYSA-N
Dimethyl disulfide
methyl disulphide
Disulfide dimethyl
METHYL DISULFIDE
(Methyldisulfanyl)methane
DMDS
Sulfa-hitech
Dimethyl disulfide, analytical standard
(Methyldithio)methane
(Methyldisulfanyl)methane #
Disulfide, dimethyl
AC1Q4HER
AC1Q4HEQ
1,2-Dimethyldisulfane
PubChem9665
Dimethyl disulfide, >=99%
AC1L1Z53
2,3-Dithiabutane
Dimethyl disulfide, 99%
NSC9370
UN2381
Dimethyl disulfide, 98%
HMDB05879
D0714
CTK2F3131
RP18575
CHEBI:4608
CCRIS 2939
C08371
BDBM233038
Methyl disulfide (8CI)
WLN: 1SS1
3P8D642K5E
HSDB 6400
LS-1499
DTXSID4025117
NSC 9370
NSC-9370
OR000230
OR291634
CHEMBL1347061
Sulfa-hitech 0382
UN 2381
(1/4)x>>u paragraph signthornAoAN
(CH3S)2
UNII-3P8D642K5E
ZINC8221057
A833808
Dimethyl disulfide, >=99.0%
DSSTox_CID_5117
KB-76616
AN-22028
TL8004165
Dimethyl disulfide, >=98%, FG
DSSTox_GSID_25117
DSSTox_RID_77673
MFCD00008561
AI3-25305
TR-021489
RTR-021489
I09-0129
Q-100719
AKOS009157459
FEMA No. 3536
FT-0625135
METHYL, [(THIOMETHYL)THIO]-
Dimethyl disulfide, natural, >=98%, FG
EN300-36043
Tox21_201525
F0001-1676
624-92-0
NCGC00259075-01
NCGC00091798-02
NCGC00091798-01
MCULE-7451882535
EINECS 272-923-9
CAS-624-92-0
Dimethyl disulfide [UN2381] [Flammable liquid]
EINECS 210-871-0
Dimethyl disulfide [UN2381] [Flammable liquid]
MolPort-003-929-787
Dimethyl disulfide, purum, >=98.0% (GC)
224638-EP2371831A1
InChI=1/C2H6S2/c1-3-4-2/h1-2H
IUPAC name(methyldisulfanyl)methane
SMILESCSSC
InchiInChI=1S/C2H6S2/c1-3-4-2/h1-2H3
FormulaC2H6S2
PubChem ID12232
Molweight94.19
LogP1.35
Atoms10
Bonds9
H-bond Acceptor0
H-bond Donor0
Chemical ClassificationSulfides Sulfide thioethers sulfur compounds

mVOC Specific Details

Volatilization
The Henry's Law constant for dimethyl disulfide is reported as 1.21X10-3 atm-cu m/mole(1). This Henry's Law constant indicates that dimethyl disulfide 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 3.5 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 4.1 days(SRC). Dimethyl disulfide's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). In a laboratory study, the volatilization rate of dimethyl disulfide from a tidal marsh soil (at field capacity or 1.5 field capacity) ranged from 0.1 to 0.4 ng (sulfur basis)/min(3). Dimethyl disulfide is expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 28.7 mm Hg(4).
Literature: (1) Vitenberg AG et al; J Chromatography 112: 319-27 (1975) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (3) Farwell SO et al; Soil Biol Biochem 11: 411-5 (1979) (4) Daubert TE, Danner RP; Physical & Thermodynamic Properties of Pure Chemicals: Data Compilation. New York, NY: Hemisphere Pub Corp (1989)
Soil Adsorption
Using a structure estimation method based on molecular connectivity indices(1), the Koc of dimethyl disulfide can be estimated to be 40(SRC). According to a classification scheme(2), this estimated Koc value suggests that dimethyl disulfide is expected to have very high mobility in soil. Gas chromatographic studies with various air-dry and moist soils have shown that soil can sorb atmospheric, gas phase dimethyl disulfide(3). In one closed-system test, 17-94% of input dimethyl disulfide was sorbed by the soil in 10 min(3); in a 15-day test, dimethyl disulfide sorption was 101-306 ug sorbed/g soil(3). Soil microbes were found to be important for the gas phase sorption of dimethyl disulfide as 15-day sorption in sterilized soil was only 9-98 ug sorbed/g soil(3).
Literature: (1) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.1. Jan, 2011. Available from, as of Nov 7, 2013: http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm (2) Swann RL et al; Res Rev 85: 17-28 (1983) (3) Bremner JM, Banwart WL; Soil Biol Biochem 8: 79-83 (1976)
Vapor Pressure
PressureReference
28.7 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
BacteriaStreptomyces Alboflavus TD-1n/aWang et al., 2013
BacteriaAchromobacter Xylosoxidans AF411019Nematicidal activitycow dungXU et al., 2015
BacteriaActinomycetes Spp.This compound is assumed to have an antagonistic effect against sapstain fungi.Schulz and Dickschat, 2007
BacteriaAeromonas VeroniiThis compound is assumed to have an antagonistic effect against sapstain fungi.Schulz and Dickschat, 2007
BacteriaAlcaligenes Faecalisn/aZou et al., 2007
BacteriaAlcaligenes Spp.This compound is assumed to have an antagonistic effect against sapstain fungi.Schulz and Dickschat, 2007
BacteriaAMI 386nabreathing zone of a waste collection workerWilkins, 1996
BacteriaArthrobacter Nicotianae JQ071518Nematicidal activitycow dungXU et al., 2015
BacteriaArthrobacter Nitroguajacoliusn/aZou et al., 2007
BacteriaBacillus Amyloliquefaciens IN937an/aLee et al., 2012
BacteriaBacillus Cereus ATCC 14570American Type Culture Collection (ATCC), Rockville, MD or wild strains identified at the University of Kentucky Dept. of Animal Sciences Food Microbiology LaboratoryElgaali et al. 2002
BacteriaBacillus Polymyxa ATCC 842American Type Culture Collection (ATCC), Rockville, MD or wild strains identified at the University of Kentucky Dept. of Animal Sciences Food Microbiology LaboratoryElgaali et al. 2002
BacteriaBacillus SimplexReduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.Gu et al., 2007
BacteriaBacillus Spp.This compound is assumed to have an antagonistic effect against sapstain fungi.Schulz and Dickschat, 2007
BacteriaBacillus SubtilisReduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.Gu et al., 2007
BacteriaBacillus Subtilis GB03n/aLee et al., 2012
BacteriaBacillus WeihenstephanensisReduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.Gu et al., 2007
BacteriaBurkholderia Caribensis LMG 18531n/aBlom et al., 2011
BacteriaBurkholderia Glumae LMG 2196n/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 Pyrrocinia LMG 21822n/aBlom et al., 2011
BacteriaBurkholderia Sacchari LMG 19450n/aBlom et al., 2011
BacteriaBurkholderia Sp. AD24bacterial interationsrhizosphere and bulk soil of Carex arenariaTyc et al. 2017
BacteriaBurkholderia Terricola LMG 20594n/aBlom et al., 2011
BacteriaBurkholderia Tropica MTo431n/aTenorio-Salgado et al., 2013
BacteriaBurkholderia Xenovorans LMG 21463n/aBlom et al., 2011
BacteriaChromobacterium Violaceum CV0n/aBlom et al., 2011
BacteriaChryseobacterium Sp. AD48nanaTyc et al., 2015
BacteriaCitrobacter Sp.This compound is assumed to have an antagonistic effect against sapstain fungi.Schulz and Dickschat, 2007
BacteriaCollimonas Fungivorans Ter331n/aGarbeva et al., 2013
BacteriaCollimonas Pratensis Ter91n/aGarbeva et al., 2013
BacteriaCupriavidus Necator LMG 1199n/aBlom et al., 2011
BacteriaCytophaga-Flavobacterium-Bacteroides Group Strain ARK 10141n/aDickschat et al., 2005_3
BacteriaCytophaga-Flavobacterium-Bacteroides Group Strain ARK 10146n/aDickschat et al., 2005_3
BacteriaDyella Sp. AD56nanaTyc et al., 2015
BacteriaEnterobacter Spp.This compound is assumed to have an antagonistic effect against sapstain fungi.Schulz and Dickschat, 2007
BacteriaEnterococcus Durans ATCC 19432American Type Culture Collection (ATCC), Rockville, MD or wild strains identified at the University of Kentucky Dept. of Animal Sciences Food Microbiology LaboratoryElgaali et al. 2002
BacteriaEnterococcus Faecium ATCC 19434American Type Culture Collection (ATCC), Rockville, MD or wild strains identified at the University of Kentucky Dept. of Animal Sciences Food Microbiology LaboratoryElgaali et al. 2002
BacteriaEscherichia Colin/aSiripatrawan 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
BacteriaJanthinobacterium Sp. AD80nanaTyc et al., 2015
BacteriaKlebsiella OxytocaThis compound is assumed to have an antagonistic effect against sapstain fungi.Schulz and Dickschat, 2007
BacteriaKlebsiella Sp.This compound is assumed to have an antagonistic effect against sapstain fungi.Schulz and Dickschat, 2007
BacteriaLactobacillus BrevisThis compound is assumed to have an antagonistic effect against sapstain fungi.Schulz and Dickschat, 2007
BacteriaLactobacillus HilgardiiThis compound is assumed to have an antagonistic effect against sapstain fungi.Schulz and Dickschat, 2007
BacteriaLactobacillus Lactis ATCC 11955American Type Culture Collection (ATCC), Rockville, MD or wild strains identified at the University of Kentucky Dept. of Animal Sciences Food Microbiology LaboratoryElgaali et al. 2002
BacteriaLactobacillus PlantarumThis compound is assumed to have an antagonistic effect against sapstain fungi.Schulz and Dickschat, 2007
BacteriaLactobacillus Sp.This compound is assumed to have an antagonistic effect against sapstain fungi.Schulz and Dickschat, 2007
BacteriaLactococcus Sp.This compound is assumed to have an antagonistic effect against sapstain fungi.Schulz and Dickschat, 2007
BacteriaLeuconostoc Mesenteroides ATCC 8086American Type Culture Collection (ATCC), Rockville, MD or wild strains identified at the University of Kentucky Dept. of Animal Sciences Food Microbiology LaboratoryElgaali et al. 2002
BacteriaLeuconostoc Mesenteroides Subsp. Mesenteroides CIRM1250can be used to modify or intensify the flavour of industrial cheeses or fermented milks or to preserve the peculiar flavour of traditional dairy productsPogačić et al., 2015
BacteriaLimnobacter Thiooxidans LMG 19593n/aBlom et al., 2011
BacteriaLysobacter Gummosusn/aZou et al., 2007
BacteriaMicrobacterium OxydansReduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.Gu et al., 2007
BacteriaOenococcus OeniThis compound is assumed to have an antagonistic effect against sapstain fungi.Schulz and Dickschat, 2007
BacteriaPaenibacillus Polymyxa E681n/aLee et al., 2012
BacteriaPaenibacillus Sp. AD87bacterial interationsrhizosphere and bulk soil of Carex arenariaTyc et al. 2017
BacteriaPandoraea Norimbergensis LMG 18379n/aBlom et al., 2011
BacteriaProteus Hauseri JN092591Nematicidal activitycow dungXU et al., 2015
BacteriaPseudochrobactrum Saccharolyticum AM180484Nematicidal activitycow dungXU et al., 2015
BacteriaPseudomonas Aeruginosa PA01nanaBriard et al., 2016
BacteriaPseudomonas Aeruginosa PUPa3n/aBlom et al., 2011
BacteriaPseudomonas Chlororaphis 450bacteriostatic on Agrobacterium tumefaciens C58, suppresses growth of cyanobacterium strain Synechococcus sp. PCC 7942, kills Caenorhabditis elegansRhizosphere of maize, Kiev region, UkrainePopova et al., 2014
BacteriaPseudomonas Chlororaphis R47narhizosphere of field-grown potato plantsHunziker et al., 2015
BacteriaPseudomonas Fluorescens R76narhizosphere of field-grown potato plantsHunziker et al., 2015
BacteriaPseudomonas Fluorescens WCS 417rn/aBlom et al., 2011
BacteriaPseudomonas Frederiksbergensis S04naphyllosphere of field-grown potato plantsHunziker et al., 2015
BacteriaPseudomonas Frederiksbergensis S24naphyllosphere of field-grown potato plantsHunziker et al., 2015
BacteriaPseudomonas Jessenii S34naphyllosphere of field-grown potato plantsHunziker et al., 2015
BacteriaPseudomonas Perolens ATCC 10757nasterile fish muscle (Sebastes melanops)Miller et al., 1973
BacteriaPseudomonas Putida ISOfn/aBlom et al., 2011
BacteriaPseudomonas Putida USB2105reduces mycelium growth and sclerotia germination of Sclerotinia sclerotiorum USB-F593; lyses red blood cellsrhizosphere of bean plants, southern ItalyGiorgio et al., 2015
BacteriaPseudomonas Putida USB2106reduces mycelium growth and sclerotia germination of Sclerotinia sclerotiorum USB-F593; lyses red blood cellsrhizosphere of bean plants, southern ItalyGiorgio et al., 2015
BacteriaPseudomonas Syringae S22naphyllosphere of field-grown potato plantsHunziker et al., 2015
BacteriaPseudomonas Tolaasii NCPPB 2192nanaCantore et al., 2015
BacteriaPseudomonas Tolaasii USB1nanaCantore et al., 2015
BacteriaPseudomonas Tolaasii USB66nanaCantore et al., 2015
BacteriaPseudomonas Veronii R02narhizosphere of field-grown potato plantsHunziker et al., 2015
BacteriaPseudomonas Vranovensis R01narhizosphere of field-grown potato plantsHunziker et al., 2015
BacteriaPseudonocardia Thermophila DSM 43832nasoilWilkins, 1996
BacteriaRalstonia SolanacearumnanaSpraker et al., 2014
BacteriaSaccharomonospora Rectivirgula DSM 43113nasoilWilkins, 1996
BacteriaSaccharomonospora Viridis DSM 43017nasoilWilkins, 1996
BacteriaSerratia Entomophilia A1MO2n/aBlom et al., 2011
BacteriaSerratia MarcescensReduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.Gu et al., 2007
BacteriaSerratia Marcescens MG1n/aBlom et al., 2011
BacteriaSerratia Plymuthica 4Rx13n/aWeise et al., 2014
BacteriaSerratia Plymuthica AS9n/aWeise et al., 2014
BacteriaSerratia Plymuthica HRO-C48n/aBlom et al., 2011
BacteriaSerratia Plymuthica PRI-2Cstimulates growth of Pseudomonas fluorescens Pf0-1maize rhizosphere, NetherlandsGarbeva et al., 2014
BacteriaSerratia Proteamaculans 568n/aWeise et al., 2014
BacteriaSerratia Proteamaculans 94bacteriostatic on Agrobacterium tumefaciens C58, suppresses growth of cyanobacterium strain Synechococcus sp. PCC 7942, kills Caenorhabditis elegansspoiled meatPopova et al., 2014
BacteriaSerratia Proteamaculans B5an/aBlom et al., 2011
BacteriaSerratia Sp.This compound is assumed to have an antagonistic effect against sapstain fungi.Schulz and Dickschat, 2007
BacteriaSporosarcina Ginsengisolin/aZou et al., 2007
BacteriaStaphylococcus Aureusn/aElgaali et al., 2002
BacteriaStenotrophomonas Maltophilian/aZou et al., 2007
BacteriaStreptococcus Agalactiae ATCC 27541American Type Culture Collection (ATCC), Rockville, MD or wild strains identified at the University of Kentucky Dept. of Animal Sciences Food Microbiology LaboratoryElgaali et al. 2002
BacteriaStreptococcus Thermophilus ATCC 14485American Type Culture Collection (ATCC), Rockville, MD or wild strains identified at the University of Kentucky Dept. of Animal Sciences Food Microbiology LaboratoryElgaali et al. 2002
BacteriaStreptomyces Albidoflavus AMI 246n/aSchoeller et al., 2002
BacteriaStreptomyces Albus IFO 13014n/aSchoeller et al., 2002
BacteriaStreptomyces Albus Subsp. Pathocidicus IFO 13812n/aSchoeller et al., 2002
BacteriaStreptomyces Antibioticus CBS 659.68n/aSchoeller et al., 2002
BacteriaStreptomyces Antibioticus ETH 22014n/aSchoeller et al., 2002
BacteriaStreptomyces Aureofaciens ETH 13387n/aSchoeller et al., 2002
BacteriaStreptomyces Aureofaciens ETH 28832n/aSchoeller et al., 2002
BacteriaStreptomyces Coelicolor ATCC 21666n/aSchoeller et al., 2002
BacteriaStreptomyces Coelicolor DSM 40233n/aSchoeller et al., 2002
BacteriaStreptomyces Diastatochromogenes ETH 18822n/aSchoeller et al., 2002
BacteriaStreptomyces Diastatochromogenes IFO 13814n/aSchoeller et al., 2002
BacteriaStreptomyces Griseus ATCC 23345n/aSchoeller et al., 2002
BacteriaStreptomyces Griseus IFO 13849n/aSchoeller et al., 2002
BacteriaStreptomyces Griseus Subsp. Griseus DSM 40236nasoilWilkins, 1996
BacteriaStreptomyces Hirsutus ATCC 19773n/aSchoeller et al., 2002
BacteriaStreptomyces Hirsutus ETH 1666n/aSchoeller et al., 2002
BacteriaStreptomyces Hygroscopicus ATCC 27438n/aSchoeller et al., 2002
BacteriaStreptomyces Hygroscopicus IFO 13255n/aSchoeller et al., 2002
BacteriaStreptomyces LateritiusReduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.Gu et al., 2007
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 Sp. GWS-BW-H5.n/aDickschat et al., 2005_2
BacteriaStreptomyces Spp.This compound is assumed to have an antagonistic effect against sapstain fungi.Schulz and Dickschat, 2007
BacteriaStreptomyces Spp. AMI 240n/aSchoeller et al., 2002
BacteriaStreptomyces Spp. AMI 243n/aSchoeller et al., 2002
BacteriaStreptomyces Thermoviolaceus CBS 111.62n/aSchoeller et al., 2002
BacteriaStreptomyces Thermoviolaceus IFO 12382n/aSchoeller et al., 2002
BacteriaThermoactinomyces Vulgaris DSM 43016nasoilWilkins, 1996
BacteriaThermomonospora Fusca DSM 43792nasoilWilkins, 1996
BacteriaTsukamurella Sp. AD106nanaTyc et al., 2015
BacteriaWautersiella Falsenii AM238687Nematicidal activitycow dungXU et al., 2015
FungiAspergillus Versicolor Tiraboschinadamp indoor environments, food productsSunesson et al., 1995
Fungi Fusarium Sp.Brock et al. 2012
FungiPenicillium Commune Pittnain dry-cured meat products, cheeseSunesson et al., 1995
Fungi Penicillium Sp.Larsen 1999
FungiPhialophora Fastigiata ConantnanaSunesson et al., 1995
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 Magnatumn/aItalian geographical areas ( Umbria, Piedmont, Marche, Emilia Romagna, Border region area between Emilia Romagna and Marche, Tuscany, Molise)Gioacchini et al., 2008
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
BacteriaAlcaligenes Faecalis YMF3·00172nanaSu et al., 2016
BacteriaBacillus Cereus YMF3·00019nanaSu et al., 2016
BacteriaBrevibacterium Epidermidis YMF3·00155nanaSu et al., 2016
BacteriaEnterobacter Cloacae SM 639naubiquitary,intestinalSchoeller et al., 1997
BacteriaEscherichia ColiNational collection of type cultures (NCTC) UKTait et al., 2014
BacteriaLeuconostoc Mesenteroides Subsp. Mesenteroides CIRM1250naCantal cheesePogačić et al., 2016
BacteriaProteus Penneri YMF3·00016nanaSu et al., 2016
BacteriaProteus Vulgaris Sp.nanaSu et al., 2016
BacteriaProvidencia Rettgeri YMF3·00150nanaSu et al., 2016
BacteriaPseudochrobactrum Asaccharolyticum YMF3·00201nanaSu et al., 2016
BacteriaPseudomonas Aeruginosa ATCC 10145nasoil, water, skin floraSchoeller et al., 1997
BacteriaPseudomonas Fluorescens R2Fnasoil, water, plantsSchoeller et al., 1997
BacteriaPseudomonas Putida KT 2442nanaSchoeller et al., 1997
BacteriaSerratia Liquefaciens SM 1302nasoil, water, plants; digestive tracts of rodents, insects, fish, humansSchoeller et al., 1997
BacteriaSerratia Spp. B2675n/aBruce et al., 2004
BacteriaSerratia Spp. B675n/aBruce et al., 2004
BacteriaStaphylococcus AureusNational collection of type cultures (NCTC) UKTait et al., 2014
FungiSaccharomyces Cerevisiae Y1001n/aBruce et al., 2004
BacteriaCitrobacter FreundiiAmerican Type Culture Collection Robacker and Bartelt 1997
BacteriaKlebsiella PneumoniaeAmerican Type Culture Collection Robacker and Bartelt 1997
BacteriaPseudomonas AeruginosaclinicPreti., 2009
FungiEurotium AmstelodamiSchleibinger et al.,2005
FungiPenicillium BrevicompactumSchleibinger et al.,2005
FungiPenicillium Clavigerumcompost Fischer et al. 2067
FungiTuber Magnatumn/aFortywoodland of the Basilicata regionMauriello et al., 2004
FungiTuber Panniferumn/aFortywoodland of the Basilicata regionMauriello et al., 2004
BacteriaStreptomycesJones et al. eLife 2017;6:e21738.
BacteriaPseudomonas Putida BP25Rpositive influence of the plant root growth and protection against soil-borne pathogensSheoran et al., 2015
BacteriaPseudomonas Putida BP25nablack pepper rootSheoran et al., 2015
FungiTuber BorchiiNoneT. melanosporum, T. borchii were collected from northern Italy (Piedmont) and T. indicum from Yunnan and Sichuan Provinces (China). Splivallo et al., 2007b
FungiTuber MelanosporumNoneT. melanosporum, T. borchii were collected from northern Italy (Piedmont) and T. indicum from Yunnan and Sichuan Provinces (China). Splivallo et al., 2007b
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaStreptomyces Alboflavus TD-1Gause's synthetic mediumHeadspace, solid-phase microextraction
BacteriaAchromobacter Xylosoxidans AF411019LB liquidSPME-GC/MS
BacteriaActinomycetes Spp.n/an/a
BacteriaAeromonas Veroniin/an/a
BacteriaAlcaligenes Faecalisn/an/a
BacteriaAlcaligenes Spp.n/an/a
BacteriaAMI 386Nutrient agar CM3 + 50mg/l actidioneGC/MS
BacteriaArthrobacter Nicotianae JQ071518LB liquidSPME-GC/MS
BacteriaArthrobacter Nitroguajacoliusn/an/a
BacteriaBacillus Amyloliquefaciens IN937aTryptic soy agarSPME coupled with GC-MS
BacteriaBacillus Cereus ATCC 14570TS brothGC-MS SPMEyes
BacteriaBacillus Polymyxa ATCC 842TS brothGC-MS SPMEyes
BacteriaBacillus Simplexn/an/a
BacteriaBacillus Spp.n/an/a
BacteriaBacillus Subtilisn/an/a
BacteriaBacillus Subtilis GB03Tryptic soy agarSPME coupled with GC-MS
BacteriaBacillus Weihenstephanensisn/an/a
BacteriaBurkholderia Caribensis LMG 18531LB and MR-VP Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Glumae LMG 2196LB Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Lata LMG 6993LB Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Phenazinium LMG 2247MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Phenoliruptrix LMG 22037LB and MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Pyrrocinia LMG 21822LB and MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Sacchari LMG 19450LB Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Sp. AD24TSBAGC-Q-TOFno
BacteriaBurkholderia Terricola LMG 20594LB Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Tropica MTo431Potato dextrose agarHeadspace trapping/ GC-MS
BacteriaBurkholderia Xenovorans LMG 21463LB Headspace 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)
BacteriaChryseobacterium Sp. AD48Tryptic soy broth agarGC/MS-Q-TOFNo
BacteriaCitrobacter Sp.n/an/a
BacteriaCollimonas Fungivorans Ter331sand supplemented with artificial root exudatesHeadspace trapping/GC-MS
BacteriaCollimonas Pratensis Ter91sand supplemented with artificial root exudatesHeadspace trapping/GC-MS
BacteriaCupriavidus Necator LMG 1199MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaCytophaga-Flavobacterium-Bacteroides Group Strain ARK 10141n/an/a
BacteriaCytophaga-Flavobacterium-Bacteroides Group Strain ARK 10146n/an/a
BacteriaDyella Sp. AD56Tryptic soy broth agarGC/MS-Q-TOFNo
BacteriaEnterobacter Spp.n/an/a
BacteriaEnterococcus Durans ATCC 19432TS brothGC-MS SPMEyes
BacteriaEnterococcus Faecium ATCC 19434TS brothGC-MS SPMEyes
BacteriaEscherichia ColiSuper broth made up of tryptone, yeast, NaClHS-SPME/GC-MS
BacteriaEscherichia Coli ATCC15547TS brothGC-MS Super Qno
BacteriaJanthinobacterium Sp. AD80Tryptic soy broth agarGC/MS-Q-TOFNo
BacteriaKlebsiella Oxytocan/an/a
BacteriaKlebsiella Sp.n/an/a
BacteriaLactobacillus Brevisn/an/a
BacteriaLactobacillus Hilgardiin/an/a
BacteriaLactobacillus Lactis ATCC 11955TS brothGC-MS SPMEyes
BacteriaLactobacillus Plantarumn/an/a
BacteriaLactobacillus Sp.n/an/a
BacteriaLactococcus Sp.n/an/a
BacteriaLeuconostoc Mesenteroides ATCC 8086TS brothGC-MS SPMEyes
BacteriaLeuconostoc Mesenteroides Subsp. Mesenteroides CIRM1250Man Rogosa Sharpe broth (MRS)Tenaxâ„¢-trap/GC-MS
BacteriaLimnobacter Thiooxidans LMG 19593AngleHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaLysobacter Gummosusn/an/a
BacteriaMicrobacterium Oxydansn/an/a
BacteriaOenococcus Oenin/an/a
BacteriaPaenibacillus Polymyxa E681Tryptic soy agarSPME coupled with GC-MS
BacteriaPaenibacillus Sp. AD87TSBAGC-Q-TOFno
BacteriaPandoraea Norimbergensis LMG 18379LB and MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaProteus Hauseri JN092591LB liquidSPME-GC/MS
BacteriaPseudochrobactrum Saccharolyticum AM180484LB liquidSPME-GC/MS
BacteriaPseudomonas Aeruginosa PA01minimal medium/ Brian mediumSPME-GC/MSNo
BacteriaPseudomonas Aeruginosa PUPa3LB Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaPseudomonas Chlororaphis 450LB mediumSPME-GC/MSNo
BacteriaPseudomonas Chlororaphis R47LB mediumGC/MSYes
BacteriaPseudomonas Fluorescens R76LB mediumGC/MSYes
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 Frederiksbergensis S04LB mediumGC/MSYes
BacteriaPseudomonas Frederiksbergensis S24LB mediumGC/MSYes
BacteriaPseudomonas Jessenii S34LB mediumGC/MSYes
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)
BacteriaPseudomonas Putida USB2105King's B AgarSPME-GC/MSNo
BacteriaPseudomonas Putida USB2106King's B AgarSPME-GC/MSNo
BacteriaPseudomonas Syringae S22LB mediumGC/MSYes
BacteriaPseudomonas Tolaasii NCPPB 2192KBSPME-GC
BacteriaPseudomonas Tolaasii USB1KBSPME-GC
BacteriaPseudomonas Tolaasii USB66KBSPME-GC
BacteriaPseudomonas Veronii R02LB mediumGC/MSYes
BacteriaPseudomonas Vranovensis R01LB mediumGC/MSYes
BacteriaPseudonocardia Thermophila DSM 43832Nutrient agar CM3GC/MS
BacteriaRalstonia SolanacearumCasamino Acid Peptone Glucose agarSPME-GC/MSNo
BacteriaSaccharomonospora Rectivirgula DSM 43113Nutrient agar CM3GC/MS
BacteriaSaccharomonospora Viridis DSM 43017Nutrient agar CM3GC/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 Marcescensn/an/a
BacteriaSerratia Marcescens MG1LB Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaSerratia Plymuthica 4Rx13NBIIHeadspace trapping/ GC-MS
BacteriaSerratia Plymuthica AS9NBIIHeadspace trapping/ GC-MS
BacteriaSerratia Plymuthica HRO-C48LB Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaSerratia Plymuthica PRI-2Csand containing artificial root exudatesGC/MSNo
BacteriaSerratia Proteamaculans 568NBIIHeadspace trapping/ GC-MS
BacteriaSerratia Proteamaculans 94LB mediumSPME-GC/MSNo
BacteriaSerratia Proteamaculans B5aLB and MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaSerratia Sp.n/an/a
BacteriaSporosarcina Ginsengisolin/an/a
BacteriaStaphylococcus AureusTS brothHS-SPME/GC-MS
BacteriaStenotrophomonas Maltophilian/an/a
BacteriaStreptococcus Agalactiae ATCC 27541TS brothGC-MS SPMEyes
BacteriaStreptococcus Thermophilus ATCC 14485TS brothGC-MS SPMEyes
BacteriaStreptomyces Albidoflavus AMI 246Emmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MS
BacteriaStreptomyces Albus IFO 13014Emmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MS
BacteriaStreptomyces Albus Subsp. Pathocidicus IFO 13812Emmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MS
BacteriaStreptomyces Antibioticus CBS 659.68Emmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MS
BacteriaStreptomyces Antibioticus ETH 22014Emmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MS
BacteriaStreptomyces Aureofaciens ETH 13387Emmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MS
BacteriaStreptomyces Aureofaciens ETH 28832Emmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MS
BacteriaStreptomyces Coelicolor ATCC 21666Emmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MS
BacteriaStreptomyces Coelicolor DSM 40233Emmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MS
BacteriaStreptomyces Diastatochromogenes ETH 18822Emmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MS
BacteriaStreptomyces Diastatochromogenes IFO 13814Emmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MS
BacteriaStreptomyces Griseus ATCC 23345Emmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MS
BacteriaStreptomyces Griseus IFO 13849Emmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MS
BacteriaStreptomyces Griseus Subsp. Griseus DSM 40236Nutrient agar CM3GC/MS
BacteriaStreptomyces Hirsutus ATCC 19773Emmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MS
BacteriaStreptomyces Hirsutus ETH 1666Emmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MS
BacteriaStreptomyces Hygroscopicus ATCC 27438Emmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MS
BacteriaStreptomyces Hygroscopicus IFO 13255Emmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MS
BacteriaStreptomyces Lateritiusn/an/a
BacteriaStreptomyces Murinus DSM 40091Emmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MS
BacteriaStreptomyces Murinus NRRL 8171Emmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MS
BacteriaStreptomyces 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 Sp. GWS-BW-H5.n/an/a
BacteriaStreptomyces Spp.n/an/a
BacteriaStreptomyces Spp. AMI 240Emmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MS
BacteriaStreptomyces Spp. AMI 243Emmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MS
BacteriaStreptomyces Thermoviolaceus CBS 111.62Emmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MS
BacteriaStreptomyces Thermoviolaceus IFO 12382Emmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MS
BacteriaThermoactinomyces Vulgaris DSM 43016Nutrient agar CM3GC/MS
BacteriaThermomonospora Fusca DSM 43792Nutrient agar CM3GC/MS
BacteriaTsukamurella Sp. AD106Tryptic soy broth agarGC/MS-Q-TOFNo
BacteriaWautersiella Falsenii AM238687LB liquidSPME-GC/MS
FungiAspergillus Versicolor TiraboschiDG18GC/MS
Fungi Fusarium Sp.no
FungiPenicillium Commune PittMEAGC/MS
Fungi Penicillium Sp.no
FungiPhialophora Fastigiata ConantDG18GC/MS
FungiTuber Aestivumn/aGas chromatography-olfactometry (GC-O)
FungiTuber Magnatumn/amicroextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)
FungiTuber Melanosporumn/aGas chromatography-olfactometry (GC-O)
BacteriaAlcaligenes Faecalis YMF3·00172LB mediumSPME-GC/MSNo
BacteriaBacillus Cereus YMF3·00019LB mediumSPME-GC/MSNo
BacteriaBrevibacterium Epidermidis YMF3·00155LB mediumSPME-GC/MSNo
BacteriaEnterobacter Cloacae SM 639AB medium + 1% citrateGC-FID,GC/MS
BacteriaEscherichia Colitryptone, yeast extractGC-MS (SPB-5)no
BacteriaLeuconostoc Mesenteroides Subsp. Mesenteroides CIRM1250curd-based broth mediumGC/MSYes
BacteriaProteus Penneri YMF3·00016LB mediumSPME-GC/MSNo
BacteriaProteus Vulgaris Sp.LB mediumSPME-GC/MSNo
BacteriaProvidencia Rettgeri YMF3·00150LB mediumSPME-GC/MSNo
BacteriaPseudochrobactrum Asaccharolyticum YMF3·00201LB mediumSPME-GC/MSNo
BacteriaPseudomonas Aeruginosa ATCC 10145AB medium + 1% citrateGC-FID,GC/MS
BacteriaPseudomonas Fluorescens R2FAB medium + 1% citrateGC-FID,GC/MS
BacteriaPseudomonas Putida KT 2442AB medium + 1% citrate or 0,02% citrate or 1% glucose +1% casaminoacid GC-FID,GC/MS
BacteriaSerratia Liquefaciens SM 1302AB medium + 1% citrateGC-FID,GC/MS
BacteriaSerratia Spp. B2675n/an/a
BacteriaSerratia Spp. B675n/an/a
BacteriaStaphylococcus AureusTS brothGC-FIDno
FungiSaccharomyces Cerevisiae Y1001n/an/a
BacteriaCitrobacter Freundiitryptic soy broth SPME, GC-MSyes
BacteriaKlebsiella Pneumoniaetryptic soy broth SPME, GC-MSyes
BacteriaPseudomonas AeruginosaBlood agar/chocolate blood agaHS-SPME/GC-MS no
FungiEurotium Amstelodamiingrain wallpaperGC/MS-SIMYes
FungiPenicillium Brevicompactumingrain wallpaperGC/MS-SIMYes
FungiPenicillium Clavigerumyest extract sucroseTenax/GC-MSno
FungiTuber Panniferumn/amicroextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)
BacteriaStreptomycesYPD agarGCxGC-TOFMSno
BacteriaPseudomonas Putida BP25RTSBPropak Q adsorbent trap/GC-MS
BacteriaPseudomonas Putida BP25Luria Bertani AgarHeadspace GC/MSNo
FungiTuber BorchiiNoneNoneYes
FungiTuber MelanosporumNoneNoneYes


(methyltrisulfanyl)methane

Mass-Spectra

Compound Details

Synonymous names
methylsulfanyldisulfanyl-methane
dimethyltrisulfane
DIMETHYLTRISULFIDE
Dimethyl trisulfide
Dimethyl trisulphide
(methyltrisulfanyl)methane
YWHLKYXPLRWGSE-UHFFFAOYSA-N
Methyl trisulfide
Dimethyl trisulfide, analytical standard
DMTS
Trisulfide, dimethyl
CH3SSSCH3
trisulfane, dimethyl-
AC1L2DW2
ACMC-1CKK0
2,4-Trithiapentane
KSC223A3D
1,3-Dimethyltrisulfane #
CTK1C3031
D3418
SCHEMBL446658
NSC97324
Methyl trisulfide (8CI)
3E691T3NL1
C08372
CHEBI:4614
2,3,4-Trithiapentane
OR352850
OR022978
DTXSID9063118
Jsp006510
A823301
ZINC4097550
UNII-3E691T3NL1
AN-20923
CJ-11315
CC-26995
Dimethyl trisulfide, >=98%, FG
TRA0026026
ANW-28444
NSC-97324
NSC 97324
FCH1116209
MFCD00039808
C-34424
ZINC04097550
RT-000574
AI3-26172
DB-003633
AKOS015897465
I09-0152
Q-100435
FEMA No. 3275
3658-80-8
EINECS 222-910-9
85931-54-0
MolPort-003-939-109
InChI=1/C2H6S3/c1-3-5-4-2/h1-2H
IUPAC name(methyltrisulfanyl)methane
SMILESCSSSC
InchiInChI=1S/C2H6S3/c1-3-5-4-2/h1-2H3
FormulaC2H6S3
PubChem ID19310
Molweight126.25
LogP1.94
Atoms11
Bonds10
H-bond Acceptor0
H-bond Donor0
Chemical ClassificationSulfides Sulfide thioethers sulfur compounds

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaActinomycetes Spp.This compound is assumed to have an antagonistic effect against sapstain fungi.Schulz and Dickschat, 2007
BacteriaAMI 386nabreathing zone of a waste collection workerWilkins, 1996
BacteriaBacillus Amyloliquefaciens IN937an/aLee et al., 2012
BacteriaBacillus Cereus B-569n/aBlom et al., 2011
BacteriaBacillus Subtilis GB03n/aLee et al., 2012
BacteriaBurkholderia Ambifaria LMG 17828n/aBurkholderia ambifaria LMG 17828 from root, LMG 19182 from rhizosphere and LMG 19467 from clinical.Groenhagen et al., 2013
BacteriaBurkholderia Ambifaria LMG 19182n/aBurkholderia ambifaria LMG 17828 from root, LMG 19182 from rhizosphere and LMG 19467 from clinical.Groenhagen et al., 2013
BacteriaBurkholderia Ambifaria LMG 19467n/aBurkholderia ambifaria LMG 17828 from root, LMG 19182 from rhizosphere and LMG 19467 from clinical.Groenhagen et al., 2013
BacteriaBurkholderia Anthina LMG 20980n/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 Kururiensis LMG 19447n/aBlom et al., 2011
BacteriaBurkholderia Lata LMG 22485n/aBlom et al., 2011
BacteriaBurkholderia Lata LMG 6993n/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 Sp. AD24bacterial interationsrhizosphere and bulk soil of Carex arenariaTyc et al. 2017
BacteriaBurkholderia Xenovorans LMG 21463n/aBlom et al., 2011
BacteriaChromobacterium Violaceum CV0n/aBlom et al., 2011
BacteriaChryseobacterium Sp. AD48inhibits growth of Serratia marcescens P87, Escherichia coli WA321 and Staphylococcus aureus 533R4; Serratia marcescens P87 lacks of prodigiosin productionnaTyc et al., 2015
BacteriaCollimonas Fungivorans Ter331n/aGarbeva et al., 2013
BacteriaCollimonas Pratensis Ter91n/aGarbeva et al., 2013
BacteriaCupriavidus Necator LMG 1199n/aBlom et al., 2011
BacteriaCytophaga-Flavobacterium-Bacteroides Group Strain ARK 10141n/aDickschat et al., 2005_3
BacteriaCytophaga-Flavobacterium-Bacteroides Group Strain ARK 10146n/aDickschat et al., 2005_3
BacteriaDinoroseobacter Shibae Strain DFL-27n/aDickschat et al., 2005_4
BacteriaDyella Sp. AD56inhibits growth of Serratia marcescens P87, Escherichia coli WA321 and Staphylococcus aureus 533R4; Serratia marcescens P87 lacks of prodigiosin productionnaTyc et al., 2015
BacteriaEnterococcus Durans ATCC 19432American Type Culture Collection (ATCC), Rockville, MD or wild strains identified at the University of Kentucky Dept. of Animal Sciences Food Microbiology LaboratoryElgaali et al. 2002
BacteriaKlebsiella OxytocaThis compound is assumed to have an antagonistic effect against sapstain fungi.Schulz and Dickschat, 2007
BacteriaLactobacillus Lactis ATCC 11955American Type Culture Collection (ATCC), Rockville, MD or wild strains identified at the University of Kentucky Dept. of Animal Sciences Food Microbiology LaboratoryElgaali et al. 2002
BacteriaLactobacillus Sp.This compound is assumed to have an antagonistic effect against sapstain fungi.Schulz and Dickschat, 2007
BacteriaLactococcus Sp.This compound is assumed to have an antagonistic effect against sapstain fungi.Schulz and Dickschat, 2007
BacteriaLeuconostoc Mesenteroides ATCC 8086American Type Culture Collection (ATCC), Rockville, MD or wild strains identified at the University of Kentucky Dept. of Animal Sciences Food Microbiology LaboratoryElgaali et al. 2002
BacteriaLeuconostoc Mesenteroides Subsp. Cremoris CIRM1303can be used to modify or intensify the flavour of industrial cheeses or fermented milks or to preserve the peculiar flavour of traditional dairy productsPogačić et al., 2015
BacteriaListeria Monocytogenes ATCC 19115American Type Culture Collection (ATCC), Rockville, MD or wild strains identified at the University of Kentucky Dept. of Animal Sciences Food Microbiology LaboratoryElgaali et al. 2002
BacteriaListeria Monocytogenes ATCC 43256American 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
BacteriaLoktanella Sp. Bio-204n/aDickschat et al., 2005_4
BacteriaPaenibacillus Polymyxa E681n/aLee et al., 2012
BacteriaPaenibacillus Sp. AD87bacterial interationsrhizosphere and bulk soil of Carex arenariaTyc et al. 2017
BacteriaPandoraea Norimbergensis LMG 18379n/aBlom et al., 2011
BacteriaPseudomonas Aeruginosa PUPa3n/aBlom et al., 2011
BacteriaPseudomonas AurantiacaInhibition of mycelium growth and spore germinationFernando et al., 2005
BacteriaPseudomonas ChlororaphisInhibition of mycelium growth and spore germinationFernando et al., 2005
BacteriaPseudomonas Chlororaphis R47narhizosphere of field-grown potato plantsHunziker et al., 2015
BacteriaPseudomonas CorrugateInhibition of mycelium growth and spore germinationFernando et al., 2005
BacteriaPseudomonas FluorescensInhibition of mycelium growth and spore germinationFernando et al., 2005
BacteriaPseudomonas Fluorescens R76narhizosphere of field-grown potato plantsHunziker et al., 2015
BacteriaPseudomonas Frederiksbergensis S04naphyllosphere of field-grown potato plantsHunziker et al., 2015
BacteriaPseudomonas Frederiksbergensis S24naphyllosphere of field-grown potato plantsHunziker et al., 2015
BacteriaPseudomonas Jessenii S34naphyllosphere of field-grown potato plantsHunziker et al., 2015
BacteriaPseudomonas Perolens ATCC 10757nasterile fish muscle (Sebastes melanops)Miller et al., 1973
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
BacteriaPseudomonas Putida ISOfn/aBlom et al., 2011
BacteriaPseudomonas Putida USB2105reduces mycelium growth and sclerotia germination of Sclerotinia sclerotiorum USB-F593; lyses red blood cellsrhizosphere of bean plants, southern ItalyGiorgio et al., 2015
BacteriaPseudomonas Putida USB2106reduces mycelium growth and sclerotia germination of Sclerotinia sclerotiorum USB-F593; lyses red blood cellsrhizosphere of bean plants, southern ItalyGiorgio et al., 2015
BacteriaPseudomonas Syringae S22naphyllosphere of field-grown potato plantsHunziker et al., 2015
BacteriaPseudomonas Veronii R02narhizosphere of field-grown potato plantsHunziker et al., 2015
BacteriaPseudomonas Vranovensis R01narhizosphere of field-grown potato plantsHunziker et al., 2015
BacteriaPseudonocardia Thermophila DSM 43832nasoilWilkins, 1996
BacteriaSaccharomonospora Rectivirgula DSM 43113nasoilWilkins, 1996
BacteriaSaccharomonospora Viridis DSM 43017nasoilWilkins, 1996
BacteriaSalinispora Tropica CNB-440namarine sedimentGroenhagen et al., 2016
BacteriaSerratia Entomophilia A1MO2n/aBlom et al., 2011
BacteriaSerratia Marcescens Db11n/aWeise et al., 2014
BacteriaSerratia Marcescens MG1n/aBlom et al., 2011
BacteriaSerratia Plymuthica 4Rx13n/aWeise et al., 2014
BacteriaSerratia Plymuthica AS9n/aWeise et al., 2014
BacteriaSerratia Plymuthica HRO-C48n/aBlom et al., 2011
BacteriaSerratia Proteamaculans 568n/aWeise et al., 2014
BacteriaSerratia Sp.This compound is assumed to have an antagonistic effect against sapstain fungi.Schulz and Dickschat, 2007
BacteriaShewanella Algae YM8inhibits mycelial growth of Aspergillus flavus and germination of Aspergillus flavus' conidiasea sediment in east China coastGong et al., 2015
BacteriaStenotrophomonas Rhizophilla Ep10-p69n/aBlom et al., 2011
BacteriaStigmatella Aurantiaca DW4/3-1n/aDickschat et al., 2005_5
BacteriaStigmatella Aurantiaca Sg A15n/aDickschat et al., 2005_5
BacteriaStreptococcus Thermophilus ATCC 14485American Type Culture Collection (ATCC), Rockville, MD or wild strains identified at the University of Kentucky Dept. of Animal Sciences Food Microbiology LaboratoryElgaali et al. 2002
BacteriaStreptomycesJones et al. eLife 2017;6:e21738.
BacteriaStreptomyces Albidoflavus AMI 246n/aSchoeller et al., 2002
BacteriaStreptomyces Albus IFO 13014n/aSchoeller et al., 2002
BacteriaStreptomyces Albus Subsp. Pathocidicus IFO 13812n/aSchoeller et al., 2002
BacteriaStreptomyces Antibioticus CBS 659.68n/aSchoeller et al., 2002
BacteriaStreptomyces Antibioticus ETH 22014n/aSchoeller et al., 2002
BacteriaStreptomyces Aureofaciens ETH 13387n/aSchoeller et al., 2002
BacteriaStreptomyces Aureofaciens ETH 28832n/aSchoeller et al., 2002
BacteriaStreptomyces Coelicolor ATCC 21666n/aSchoeller et al., 2002
BacteriaStreptomyces Coelicolor DSM 40233n/aSchoeller et al., 2002
BacteriaStreptomyces Diastatochromogenes ETH 18822n/aSchoeller et al., 2002
BacteriaStreptomyces Diastatochromogenes IFO 13814n/aSchoeller et al., 2002
BacteriaStreptomyces Griseus ATCC 23345n/aSchoeller et al., 2002
BacteriaStreptomyces Griseus IFO 13849n/aSchoeller et al., 2002
BacteriaStreptomyces Griseus Subsp. Griseus DSM 40236nasoilWilkins, 1996
BacteriaStreptomyces Hirsutus ATCC 19773n/aSchoeller et al., 2002
BacteriaStreptomyces Hirsutus ETH 1666n/aSchoeller et al., 2002
BacteriaStreptomyces Hygroscopicus ATCC 27438n/aSchoeller et al., 2002
BacteriaStreptomyces Hygroscopicus IFO 13255n/aSchoeller et al., 2002
BacteriaStreptomyces Olivaceus ETH 6445n/aSchoeller et al., 2002
BacteriaStreptomyces Rishiriensis AMI 224n/aSchoeller et al., 2002
BacteriaStreptomyces Sp. GWS-BW-H5.n/aDickschat et al., 2005_2
BacteriaStreptomyces Spp.This compound is assumed to have an antagonistic effect against sapstain fungi.Schulz and Dickschat, 2007
BacteriaStreptomyces Spp. AMI 240n/aSchoeller et al., 2002
BacteriaStreptomyces Spp. AMI 243n/aSchoeller et al., 2002
BacteriaStreptomyces Thermoviolaceus CBS 111.62n/aSchoeller et al., 2002
BacteriaStreptomyces Thermoviolaceus IFO 12382n/aSchoeller et al., 2002
BacteriaThermoactinomyces Vulgaris DSM 43016nasoilWilkins, 1996
BacteriaThermomonospora Fusca DSM 43792nasoilWilkins, 1996
BacteriaTsukamurella Sp. AD106inhibits growth of Serratia marcescens P87, Escherichia coli WA321 and Staphylococcus aureus 533R4; Serratia marcescens P87 lacks of prodigiosin productionnaTyc et al., 2015
BacteriaUrkholderia Phenoliruptrix LMG 22037RhizosphereBlom et al., 2011
Fungi Fusarium Sp.Dickschat et a
Fungi Penicillium Sp.Citron et al. 2012
FungiPleurotus CystidiosusnanaUsami et al., 2014
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 BorchiiAroma active compound in Tuber melanosporum and Tuber aestivum syn Tuber uncinatumnaSplivallo and Ebeler 2015
FungiTuber Magnatumn/aItalian geographical areas ( Umbria, Piedmont, Marche, Emilia Romagna, Border region area between Emilia Romagna and Marche, Tuscany, Molise)Gioacchini et al., 2008
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
BacteriaEnterobacter Cloacae SM 639naubiquitary,intestinalSchoeller et al., 1997
BacteriaLeuconostoc Mesenteroides Subsp. Cremoris CIRM1303nagoat cheesePogačić et al., 2016
BacteriaPseudomonas Aeruginosa ATCC 10145nasoil, water, skin floraSchoeller et al., 1997
BacteriaPseudomonas Putida KT 2442nanaSchoeller et al., 1997
BacteriaSerratia Spp. B2675n/aBruce et al., 2004
BacteriaSerratia Spp. B675n/aBruce et al., 2004
BacteriaMyxobacterium Spp.n/aDickschat 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
FungiTuber Magnatumn/aFortywoodland of the Basilicata regionMauriello et al., 2004
FungiTuber Melanosporumn/aAgricultural Centre of Castilla and León Community (Monasterio de la Santa Espina, Valladolid, Spain) and Navaleno (Soria, Spain).Diaz et al., 2003
FungiTuber MelanosporumT. melanosporum, T. borchii were collected from northern Italy (Piedmont) and T. indicum from Yunnan and Sichuan Provinces (China). Splivallo et al., 2007b
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaActinomycetes Spp.n/an/a
BacteriaAMI 386Nutrient agar CM3 + 50mg/l actidioneGC/MS
BacteriaBacillus Amyloliquefaciens IN937aTryptic soy agarSPME coupled with GC-MS
BacteriaBacillus Cereus B-569LB Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBacillus Subtilis GB03Tryptic soy agarSPME coupled with GC-MS
BacteriaBurkholderia Ambifaria LMG 17828Luria-Bertani medium, Malt Extractn/a
BacteriaBurkholderia Ambifaria LMG 19182Luria-Bertani medium, Malt Extractn/a
BacteriaBurkholderia Ambifaria LMG 19467Luria-Bertani medium, Malt Extractn/a
BacteriaBurkholderia Anthina LMG 20980LB Headspace 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 Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Cepacia LMG 1222 358LB Headspace 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 14190LB and MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Glumae LMG 2196MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Kururiensis LMG 19447MR-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 Phenoliruptrix LMG 22037MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Phytofirmans LMG 22487MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Pyrrocinia LMG 21822LB and MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Sp. AD24TSBAGC-Q-TOFno
BacteriaBurkholderia Xenovorans LMG 21463LB Headspace 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)
BacteriaChryseobacterium Sp. AD48Tryptic soy broth agarGC/MS-Q-TOFNo
BacteriaCollimonas Fungivorans Ter331sand supplemented with artificial root exudatesHeadspace trapping/GC-MS
BacteriaCollimonas Pratensis Ter91sand supplemented with artificial root exudatesHeadspace trapping/GC-MS
BacteriaCupriavidus Necator LMG 1199LB and MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaCytophaga-Flavobacterium-Bacteroides Group Strain ARK 10141n/an/a
BacteriaCytophaga-Flavobacterium-Bacteroides Group Strain ARK 10146n/an/a
BacteriaDinoroseobacter Shibae Strain DFL-27n/an/a
BacteriaDyella Sp. AD56Tryptic soy broth agarGC/MS-Q-TOFNo
BacteriaEnterococcus Durans ATCC 19432TS brothGC-MS SPMEyes
BacteriaKlebsiella Oxytocan/an/a
BacteriaLactobacillus Lactis ATCC 11955TS brothGC-MS SPMEyes
BacteriaLactobacillus Sp.n/an/a
BacteriaLactococcus Sp.n/an/a
BacteriaLeuconostoc Mesenteroides ATCC 8086TS brothGC-MS SPMEyes
BacteriaLeuconostoc Mesenteroides Subsp. Cremoris CIRM1303Man Rogosa Sharpe broth (MRS)Tenaxâ„¢-trap/GC-MS
BacteriaListeria Monocytogenes ATCC 19115TS brothGC-MS SPMEyes
BacteriaListeria Monocytogenes ATCC 43256TS brothGC-MS SPMEyes
BacteriaLoktanella Sp. Bio-204n/an/a
BacteriaPaenibacillus Polymyxa E681Tryptic soy agarSPME coupled with GC-MS
BacteriaPaenibacillus Sp. AD87TSBAGC-Q-TOFno
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 Aeruginosa PUPa3MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaPseudomonas Aurantiacan/an/a
BacteriaPseudomonas Chlororaphisn/an/a
BacteriaPseudomonas Chlororaphis R47LB mediumGC/MSYes
BacteriaPseudomonas Corrugaten/an/a
BacteriaPseudomonas Fluorescensn/an/a
BacteriaPseudomonas Fluorescens R76LB mediumGC/MSYes
BacteriaPseudomonas Frederiksbergensis S04LB mediumGC/MSYes
BacteriaPseudomonas Frederiksbergensis S24LB mediumGC/MSYes
BacteriaPseudomonas Jessenii S34LB mediumGC/MSYes
BacteriaPseudomonas Perolens ATCC 10757Trypticase soil agar (BBL)GC/MS
BacteriaPseudomonas Putida BP25Luria Bertani AgarHeadspace GC/MSNo
BacteriaPseudomonas Putida BP25RTSBPropak Q adsorbent trap/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)
BacteriaPseudomonas Putida USB2105King's B AgarSPME-GC/MSNo
BacteriaPseudomonas Putida USB2106King's B AgarSPME-GC/MSNo
BacteriaPseudomonas Syringae S22LB mediumGC/MSYes
BacteriaPseudomonas Veronii R02LB mediumGC/MSYes
BacteriaPseudomonas Vranovensis R01LB mediumGC/MSYes
BacteriaPseudonocardia Thermophila DSM 43832Nutrient agar CM3GC/MS
BacteriaSaccharomonospora Rectivirgula DSM 43113Nutrient agar CM3GC/MS
BacteriaSaccharomonospora Viridis DSM 43017Nutrient agar CM3GC/MS
BacteriaSalinispora Tropica CNB-440seawater-based A1GC/MS
BacteriaSerratia Entomophilia A1MO2LB Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaSerratia Marcescens Db11NBIIHeadspace trapping/ GC-MS
BacteriaSerratia Marcescens MG1LB Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaSerratia Plymuthica 4Rx13NBIIHeadspace trapping/ GC-MS
BacteriaSerratia Plymuthica AS9NBIIHeadspace trapping/ GC-MS
BacteriaSerratia Plymuthica HRO-C48LB and MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaSerratia Proteamaculans 568NBIIHeadspace trapping/ GC-MS
BacteriaSerratia Sp.n/an/a
BacteriaShewanella Algae YM8NA mediumSPME-GC/MSYes
BacteriaStenotrophomonas Rhizophilla Ep10-p69MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaStigmatella Aurantiaca DW4/3-1n/an/a
BacteriaStigmatella Aurantiaca Sg A15n/an/a
BacteriaStreptococcus Thermophilus ATCC 14485TS brothGC-MS SPMEyes
BacteriaStreptomycesYPD agarGCxGC-TOFMSno
BacteriaStreptomyces Albidoflavus AMI 246n/an/a
BacteriaStreptomyces Albus IFO 13014n/an/a
BacteriaStreptomyces Albus Subsp. Pathocidicus IFO 13812n/an/a
BacteriaStreptomyces Antibioticus CBS 659.68n/an/a
BacteriaStreptomyces Antibioticus ETH 22014n/an/a
BacteriaStreptomyces Aureofaciens ETH 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 Griseus Subsp. Griseus DSM 40236Nutrient agar CM3GC/MS
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 Olivaceus ETH 6445n/an/a
BacteriaStreptomyces Rishiriensis AMI 224n/an/a
BacteriaStreptomyces Sp. GWS-BW-H5.n/an/a
BacteriaStreptomyces Spp.n/an/a
BacteriaStreptomyces Spp. AMI 240n/an/a
BacteriaStreptomyces Spp. AMI 243n/an/a
BacteriaStreptomyces Thermoviolaceus CBS 111.62n/an/a
BacteriaStreptomyces Thermoviolaceus IFO 12382n/an/a
BacteriaThermoactinomyces Vulgaris DSM 43016Nutrient agar CM3GC/MS
BacteriaThermomonospora Fusca DSM 43792Nutrient agar CM3GC/MS
BacteriaTsukamurella Sp. AD106Tryptic soy broth agarGC/MS-Q-TOFNo
BacteriaUrkholderia Phenoliruptrix LMG 22037MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)Yes
Fungi Fusarium Sp.no
Fungi Penicillium Sp.no
FungiPleurotus CystidiosusnaGC/MS, GC-O, AEDANo
FungiTuber Aestivumn/aGas chromatography-olfactometry (GC-O)
FungiTuber BorchiinaSPME-GC/MS/O); GC-RYes
FungiTuber Magnatumn/amicroextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)
FungiTuber Melanosporumn/aGas chromatography-olfactometry (GC-O)
BacteriaEnterobacter Cloacae SM 639AB medium + 1% citrateGC-FID,GC/MS
BacteriaLeuconostoc Mesenteroides Subsp. Cremoris CIRM1303curd-based broth mediumGC/MSYes
BacteriaPseudomonas Aeruginosa ATCC 10145AB medium + 1% citrateGC-FID,GC/MS
BacteriaPseudomonas Putida KT 2442AB medium + 1% citrate or 0,02% citrate or 1% glucose +1% casaminoacid GC-FID,GC/MS
BacteriaSerratia Spp. B2675n/an/a
BacteriaSerratia Spp. B675n/an/a
BacteriaMyxobacterium Spp.n/an/a
FungiTuber Aestivumn/aHeadspace solid-phase microextraction (HS-SPME) combined with GC-MS
FungiTuber Melanosporumn/aHeadspace solid-phase microextraction (HS-SPME) combined with GC-MS
FungiTuber MelanosporumYes


S-methyl Butanethioate

Mass-Spectra

Compound Details

Synonymous names
Methanethiol butyrate
Methyl thiobutanoate
Methyl thiolbutyrate
GRLJIIJNZJVMGP-UHFFFAOYSA-N
Methane n-thiolbutyrate
Methanethiol n-butyrate
S-Methyl butanethioate
S-Methyl thiobutyrate
Butanethioic acid,S-methyl ester
S-Methyl butanethioate #
Thiobutyric Acid S-Methyl Ester
AC1L1X4T
Methyl thiobutyrate (natural)
BUTANETHIOIC ACID, S-METHYL ESTER
ACMC-209gaw
M1818
CTK4F3391
2P1E432MYZ
SCHEMBL722981
S-Methyl thiobutanoate, 98%
UNII-2P1E432MYZ
ZINC409240
ZB013888
S-(methyl thio) butyrate
DTXSID5047669
OR012310
CHEBI:89255
1-(methylsulfanyl)butan-1-one
ACM2432511
AN-20806
ANW-25398
Methyl thiobutyrate, >=97%, FG
FCH3464393
MFCD00009872
ZINC00409240
TC-114143
LS-179173
Q-100312
AKOS015950859
J-800454
FEMA No. 3310
Methyl thiobutyrate, natural, 98%, FG
Butyric acid, thio-, S-methyl ester
2432-51-1
EINECS 219-407-1
MolPort-003-929-056
IUPAC nameS-methyl butanethioate
SMILESCCCC(=O)SC
InchiInChI=1S/C5H10OS/c1-3-4-5(6)7-2/h3-4H2,1-2H3
FormulaC5H10OS
PubChem ID62444
Molweight118.19
LogP1.82
Atoms17
Bonds16
H-bond Acceptor1
H-bond Donor0
Chemical ClassificationThioesters sulfur compounds

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaAlcaligenes Faecalis YMF3·00172nanaSu et al., 2016
BacteriaBacillus Cereus YMF3·00019nanaSu et al., 2016
BacteriaBrevibacterium Epidermidis YMF3·00155nanaSu et al., 2016
BacteriaClostridium Difficileoutbreak 2006 UKRees et al 2016
BacteriaProteus Penneri YMF3·00016nanaSu et al., 2016
BacteriaProteus Vulgaris Sp.nanaSu et al., 2016
BacteriaProvidencia Rettgeri YMF3·00150nanaSu et al., 2016
BacteriaPseudochrobactrum Asaccharolyticum YMF3·00201nanaSu et al., 2016
BacteriaPseudomonas Syringae S22naphyllosphere of field-grown potato plantsHunziker et al., 2015
BacteriaAMI 386nabreathing zone of a waste collection workerWilkins, 1996
BacteriaStreptomyces Griseus Subsp. Griseus DSM 40236nasoilWilkins, 1996
BacteriaThermomonospora Fusca DSM 43792nasoilWilkins, 1996
BacteriaAchromobacter Xylosoxidans AF411019Nematicidal activitycow dungXU et al., 2015
BacteriaArthrobacter Nicotianae JQ071518Nematicidal activitycow dungXU et al., 2015
BacteriaBrevibacterium Linensn/aSchulz and Dickschat, 2007
BacteriaLactococcus Lactisn/aSchulz and Dickschat, 2007
BacteriaProteus Hauseri JN092591Nematicidal activitycow dungXU et al., 2015
BacteriaPseudochrobactrum Saccharolyticum AM180484Nematicidal activitycow dungXU et al., 2015
BacteriaStreptomyces Albidoflavusn/aSchulz and Dickschat, 2007
BacteriaStreptomyces Griseusn/aSchulz and Dickschat, 2007
BacteriaThermomonospora Fuscan/aSchulz and Dickschat, 2007
BacteriaWautersiella Falsenii AM238687Nematicidal activitycow dungXU et al., 2015
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaAlcaligenes Faecalis YMF3·00172LB mediumSPME-GC/MSNo
BacteriaBacillus Cereus YMF3·00019LB mediumSPME-GC/MSNo
BacteriaBrevibacterium Epidermidis YMF3·00155LB mediumSPME-GC/MSNo
BacteriaClostridium Difficilebrain heart infusionGCxGC-TOF-MSyes
BacteriaProteus Penneri YMF3·00016LB mediumSPME-GC/MSNo
BacteriaProteus Vulgaris Sp.LB mediumSPME-GC/MSNo
BacteriaProvidencia Rettgeri YMF3·00150LB mediumSPME-GC/MSNo
BacteriaPseudochrobactrum Asaccharolyticum YMF3·00201LB mediumSPME-GC/MSNo
BacteriaPseudomonas Syringae S22LB mediumGC/MSYes
BacteriaAMI 386Nutrient agar CM3 + 50mg/l actidioneGC/MS
BacteriaStreptomyces Griseus Subsp. Griseus DSM 40236Nutrient agar CM3GC/MS
BacteriaThermomonospora Fusca DSM 43792Nutrient agar CM3GC/MS
BacteriaAchromobacter Xylosoxidans AF411019LB liquidSPME-GC/MS
BacteriaArthrobacter Nicotianae JQ071518LB liquidSPME-GC/MS
BacteriaBrevibacterium Linensn/an/a
BacteriaLactococcus Lactisn/an/a
BacteriaProteus Hauseri JN092591LB liquidSPME-GC/MS
BacteriaPseudochrobactrum Saccharolyticum AM180484LB liquidSPME-GC/MS
BacteriaStreptomyces Albidoflavusn/an/a
BacteriaStreptomyces Griseusn/an/a
BacteriaThermomonospora Fuscan/an/a
BacteriaWautersiella Falsenii AM238687LB liquidSPME-GC/MS


(E)-2-methylbut-2-enal

Mass-Spectra

Compound Details

Synonymous names
tiglinaldehydn
Tiglinaldehyde
Tiglaldehyde
ACWQBUSCFPJUPN-HWKANZROSA-
trans-Tiglaldehyde
2-Methylcrotonaldehyde
ACWQBUSCFPJUPN-HWKANZROSA-N
tiglic aldehydn
Tiglic aldehyde
trans-2-Methylcrotonaldehyde
Tiglic acid aldehyde
AC1Q6PHE
2,3-Dimethylacrolein
Tigaldehyde, trans-
AC1NT10G
AC1Q2A2Z
trans-2,3-Dimethylacrolein
(E)-tiglaldehyde
NSC2179
CHEMBL53493
7385AF
Tiglic aldehyde, >=96%
27ZVE2K81C
CCRIS 8097
UNII-27ZVE2K81C
2-methylbut-2-enal
2-METHYL-2-BUTENAL
OR201733
OR012150
NSC-2179
NSC 2179
trans-2-Methyl-2-butenal
DTXSID1049308
ZINC1577193
KB-61895
DSSTox_GSID_49308
CJ-25024
E-2-Methyl-2-butenal
AN-21407
FCH3461294
FCH1115140
FCH3406620
ZINC01577193
trans-2-Methyl-2-butenal, analytical standard
MFCD00006977
DSSTox_RID_83383
DSSTox_CID_29264
AI3-24379
LS-179707
AKOS015912688
2-Methylcrotonaldehyde, (E)-
FT-0632230
FEMA No. 3407
I14-48659
I14-43585
2-Butenal, 2-methyl-
Tox21_202837
2-Methyl-2-butenal, trans-
497-03-0
2-methyl-(E)-2-butenal
(E)-2-Methylbut-2-enal
(e)-2-methyl-2-butenal
EN300-109078
6038-09-1
NCGC00260383-01
1115-11-3
CAS-497-03-0
EINECS 207-833-0
2-Butenal,2-methyl-(Z)-
Crotonaldehyde, 2-methyl-, (E)-
2-Methyl-2-butenal, (E)-
2-Butenal,2-methyl-, (Z)-
2-Butenal, 2-methyl-, (E)-
2-Methylbut-2-en-1-al, (E)-
trans-2-Methyl-2-butenal, sum of isomers, >=99%, FG
2-Butenal, 2-methyl-, (2E)-
Crotonaldehyde, 2-methyl-, (E)- (8CI)
InChI=1/C5H8O/c1-3-5(2)4-6/h3-4H,1-2H3/b5-3+
IUPAC name(E)-2-methylbut-2-enal
SMILESCC=C(C)C=O
InchiInChI=1S/C5H8O/c1-3-5(2)4-6/h3-4H,1-2H3/b5-3+
FormulaC5H8O
PubChem ID5321950
Molweight84.118
LogP1.16
Atoms14
Bonds13
H-bond Acceptor1
H-bond Donor0
Chemical Classificationaldehydes alkenes

mVOC Specific Details


Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
FungiMuscodor CrispansWild pineapple plant, Ananas ananassoidesMitchell et al., 2010
BacteriaThermomonospora Fusca DSM 43792nasoilWilkins, 1996
FungiTuber Aestivumn/aAgricultural Centre of Castilla and León Community (Monasterio de la Santa Espina, Valladolid, Spain) and Navaleno (Soria, Spain).Diaz et al., 2003
FungiTuber Melanosporumn/aAgricultural Centre of Castilla and León Community (Monasterio de la Santa Espina, Valladolid, Spain) and Navaleno (Soria, Spain).Diaz et al., 2003
FungiTuber Indicumn/aSplivallo et al., 2007
FungiTuber Melanosporumn/aSplivallo et al., 2007
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
FungiMuscodor Crispanspotato dextrose agarSPME-GC-MSYes
BacteriaThermomonospora Fusca DSM 43792Nutrient agar CM3GC/MS
FungiTuber Aestivumn/aHeadspace solid-phase microextraction (HS-SPME) combined with GC-MS
FungiTuber Melanosporumn/aHeadspace solid-phase microextraction (HS-SPME) combined with GC-MS
FungiTuber Indicumn/an/a
FungiTuber Melanosporumn/an/a


2-methylpentan-3-one

Mass-Spectra

Compound Details

Synonymous names
HYTRYEXINDDXJK-UHFFFAOYSA-N
Ethyl isopropyl ketone
Isopropyl ethyl ketone
AC1L1WZH
AC1Q5GXV
AC1Q2RLS
KSC272M0L
7511AF
SCHEMBL43655
ACMC-209lte
M1249
iso-C3H7COC2H5
HMDB05846
CTK1H2605
4-Methyl-3-pentanone
2-Methylpentan-3-one
VZ34750
2-METHYL-3-PENTANONE
2-Methyl-3-pentanal
OR127962
OR014426
DTXSID2073196
ZINC2034716
CHEBI:89215
TRA0053622
CJ-31918
CJ-07528
ANW-32544
AB0054190
0R392X5X26
MFCD00009314
LS-192265
UNII-0R392X5X26
RT-001658
DB-052939
AKOS009031606
3-Pentanone, 2-methyl-
FT-0612954
I14-17406
565-69-5
2-Methyl-3-pentanone, 97%
EINECS 209-288-4
2-Methyl-3-pentanone, purum, >=99.0% (GC)
InChI=1/C6H12O/c1-4-6(7)5(2)3/h5H,4H2,1-3H
IUPAC name2-methylpentan-3-one
SMILESCCC(=O)C(C)C
InchiInChI=1S/C6H12O/c1-4-6(7)5(2)3/h5H,4H2,1-3H3
FormulaC6H12O
PubChem ID11265
Molweight100.161
LogP2.05
Atoms19
Bonds18
H-bond Acceptor1
H-bond Donor0
Chemical ClassificationKetones

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaThermomonospora Fusca DSM 43792nasoilWilkins, 1996
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaThermomonospora Fusca DSM 43792Nutrient agar CM3GC/MS