Results for:
Species: Stigmatella aurantiaca

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


Phenylmethanol

Mass-Spectra

Compound Details

Synonymous names
hydroxymethylbenzene
Alcoolbenzylique
Hydroxymethyl polystyrene
PENTADEOTEROBENZYL ALCOHOL
Phenylcarbinolum
Polystyrene crosslinked with divinylbenzene, hydroxymethylated
Benzencarbinol
Benzenecarbinol
benzenemethanol
benzenmethanol
Hydroxytoluene
Phenolcarbinol
phenylcarbinol
phenylmethanol
Benzalalcohol
benzylalcohol
Benzylalkohol
enzylalcohol
alcoholum benzylicum
alpha-hydroxytoluene
aplha-Hydroxytoluene
Benzalcohol
Benzylicum
Phenylmethyl alcohol
(Hydroxymethyl)polystyrene
Alcohol bencilico
Alcool benzylique
Averteax
Bentalol
Bentanol
Polystyrene cross-linked with divinylbenzene, hydroxymethylated
WVDDGKGOMKODPV-UHFFFAOYSA-N
a-Hydroxytoluene
Alcool benzilico
Aromatic alcohol
Aromatic primary alcohol
Benzene Carbinol
benzene-methanol
Benzoyl alcohol
Benzyl Alcohole
benzylic alcohol
Methanol benzene
Phenyl Methanol
Phenyl-Methanol
Ulesfia
(Hydroxymethyl)benzene
alpha-Toluenol
Benzal alcohol
benzyl alcohol
Benzyl alcohol Natural
Benzyl alkohol
BENZYL-ALCOHOL
OBZ
TOLUENE,ALPHA-HYDROXY
a-Toluenol
Benzyl alcohol polymer-bound
Benzyl alcohol, analytical standard
ACMC-1BQPG
Benzyl Alcohol Reagent ACS Grade
Itch-X
.alpha.-Hydroxytoluene
Babys Own Teething Gel
CHEMBL720
METHYL, HYDROXYPHENYL-
phenylmethan-1-ol
SCHEMBL147
Zilactin Early Relief Cold Sore
AC1L18SY
BENZYL ALCOHOL, ACS
Benzyl alcohol, polymer-bound
Nat. Benzyl Alcohol
StratoSpheres™ PL-HMS (Hydroxymethylstyrene) resin
Babys Own Gora Teething Lot
LKG8494WBH
Methanol, phenyl-
.alpha.-Toluenol
AC1Q7C20
Benzyl alcohol (natural)
HSDB 46
I765
KSC176G5N
Alcohol bencilico [INN-Spanish]
Alcoholum benzylicum [INN-Latin]
Alcool benzilico [DCIT]
NSC8044
TB 13G
UNII-LKG8494WBH
Alcool benzylique [INN-French]
B2378
BDBM16418
CTK0H6356
E1519
HMDB03119
Sunmorl BK 20
Ulesfia (TN)
WLN: Q1R
AS04466
BIDD:ER0248
DB06770
LS-307
LS41488
RP18893
Benzyl alcohol, European Pharmacopoeia (EP) Reference Standard
bmse000407
C00556
C03485
CCRIS 2081
D00077
DSSTox_CID_152
HMS3264B16
PINAPUR™ 9 BA-R
ZINC895302
AK146334
BBL011938
BC222892
Benzyl alcohol, pharmaceutical secondary standard; traceable to USP and PhEur
DTXSID5020152
Euxyl K 100
HY-B0892
Jsp000133
NSC 8044
NSC-8044
NSC760098
OR034579
OR214344
OR246346
SBB058558
STL163453
ZB015017
A800221
Benzyl alcohol, certified reference material, TraceCERT(R)
Benzyl alcohol, United States Pharmacopeia (USP) Reference Standard
CHEBI:17987
NCI-C06111
AJ-24171
Benzyl alcohol [USAN:INN:JAN]
Caswell No. 081F
DSSTox_GSID_20152
SC-47293
Baby's Own Teething Gel 2.5%
BB_SC-7027
DSSTox_RID_75404
MFCD00004599
MFCD03792087
ZINC00895302
AI3-01680
Benzyl alcohol, LR, >=99%
Benzyl alcohol, tested according to Ph.Eur.
CCG-213843
KB-200532
NSC-760098
RTR-033774
ST24048908
ST51028320
TR-033774
AKOS000119907
Benzyl alcohol (JP15/NF)
EPA Pesticide Chemical Code 009502
I01-4406
J-000153
BRN 0878307
FEMA No. 2137
FT-0622812
FT-0673838
Benzyl alcohol (JP17/NF/INN)
Benzyl alcohol, ReagentPlus(R), >=99%
Z955123784
Benzyl alcohol, anhydrous, 99.8%
Tox21_111172
Tox21_202447
Tox21_300044
100-51-6
Benzyl alcohol, natural, >=98%, FG
F0001-0019
Benzyl alcohol on polystyrene, 3.5 mmol/g
Benzyl alcohol, ACS reagent, >=99.0%
Benzyl alcohol, AR, >=99.5%
1336-27-2
Baby's Own Teething Gel - 2.5%
Benzyl alcohol, >=99%, FCC, FG
MCULE-6011707909
NCGC00091865-01
NCGC00091865-02
NCGC00091865-03
NCGC00091865-04
NCGC00254154-01
NCGC00259996-01
AB01563201_01
Benzyl alcohol, 99% 250g
Benzyl alcohol, SAJ special grade, >=99.0%
CAS-100-51-6
EINECS 202-859-9
66072-40-0
Benzyl alcohol, SAJ first grade, >=98.5%
Benzyl alcohol, Vetec(TM) reagent grade, 98%
Pharmakon1600-01502555
SR-01000872610
185532-71-2
3983-EP2269992A1
3983-EP2270004A1
3983-EP2270005A1
3983-EP2270011A1
3983-EP2270505A1
3983-EP2272516A2
3983-EP2272813A2
3983-EP2272817A1
3983-EP2272822A1
3983-EP2272825A2
3983-EP2272841A1
3983-EP2274983A1
3983-EP2275102A1
3983-EP2275401A1
3983-EP2275411A2
3983-EP2275414A1
3983-EP2275425A1
3983-EP2277565A2
3983-EP2277566A2
3983-EP2277567A1
3983-EP2277568A2
3983-EP2277569A2
3983-EP2277570A2
3983-EP2277848A1
3983-EP2277867A2
3983-EP2277876A1
3983-EP2277879A1
3983-EP2279750A1
3983-EP2280001A1
3983-EP2280003A2
3983-EP2280005A1
3983-EP2280008A2
3983-EP2280010A2
3983-EP2280012A2
3983-EP2281823A2
3983-EP2284149A1
3983-EP2284160A1
3983-EP2287155A1
3983-EP2287160A1
3983-EP2287165A2
3983-EP2287166A2
3983-EP2289884A1
3983-EP2289887A2
3983-EP2289888A2
3983-EP2289892A1
3983-EP2289894A2
3983-EP2292227A2
3983-EP2292280A1
3983-EP2292596A2
3983-EP2292611A1
3983-EP2292612A2
3983-EP2292614A1
3983-EP2292615A1
3983-EP2292620A2
3983-EP2295402A2
3983-EP2295406A1
3983-EP2295411A1
3983-EP2295412A1
3983-EP2295413A1
3983-EP2295426A1
3983-EP2295427A1
3983-EP2295437A1
3983-EP2295550A2
3983-EP2298731A1
3983-EP2298734A2
3983-EP2298735A1
3983-EP2298743A1
3983-EP2298744A2
3983-EP2298750A1
3983-EP2298755A1
3983-EP2298768A1
3983-EP2298772A1
3983-EP2298775A1
3983-EP2298783A1
3983-EP2301918A1
3983-EP2301931A1
3983-EP2301936A1
3983-EP2305243A1
3983-EP2305636A1
3983-EP2305640A2
3983-EP2305651A1
3983-EP2305673A1
3983-EP2305676A1
3983-EP2305695A2
3983-EP2305696A2
3983-EP2305697A2
3983-EP2305698A2
3983-EP2305808A1
3983-EP2308812A2
3983-EP2308828A2
3983-EP2308833A2
3983-EP2308839A1
3983-EP2308844A2
3983-EP2308845A2
3983-EP2308846A2
3983-EP2308854A1
3983-EP2308857A1
3983-EP2308858A1
3983-EP2308861A1
3983-EP2308867A2
3983-EP2308870A2
3983-EP2308872A1
3983-EP2308873A1
3983-EP2308875A1
3983-EP2308877A1
3983-EP2311806A2
3983-EP2311815A1
3983-EP2311816A1
3983-EP2311817A1
3983-EP2311823A1
3983-EP2311824A1
3983-EP2311829A1
3983-EP2311831A1
3983-EP2311834A1
3983-EP2311837A1
3983-EP2311842A2
3983-EP2314575A1
3983-EP2314584A1
3983-EP2314585A1
3983-EP2316470A2
3983-EP2316829A1
3983-EP2316831A1
3983-EP2316834A1
3983-EP2316835A1
3983-EP2316836A1
3983-EP2372017A1
3983-EP2374454A1
3983-EP2374783A1
3983-EP2374790A1
3983-EP2374792A1
3983-EP2380568A1
BENZYL ALCOHOL, U.S.P./N.F.
MolPort-001-783-216
Benzyl alcohol, PharmaGrade, USP/NF, Ph Eur, Manufactured under appropriate GMP controls for pharma or biopharmaceutical production.
SR-01000872610-3
Benzyl alcohol, p.a., ACS reagent, 99.0%
4-06-00-02222 (Beilstein Handbook Reference)
3762963D-6C2A-4BFF-AD94-3180E51BCA68
(Hydroxymethyl)polystyrene, 200-400 mesh, extent of labeling: ~1.7 mmol/g loading
(Hydroxymethyl)polystyrene, 200-500 mesh, extent of labeling: ~1.1 mmol/g loading
Benzyl alcohol, puriss. p.a., ACS reagent, >=99.0% (GC)
Benzyl alcohol, puriss., meets analytical specification of Ph.??Eur., BP, NF, 99-100.5% (GC)
StratoSpheres(TM) PL-HMS (Hydroxymethylstyrene) resin, 50-100 mesh, extent of labeling: 2.0 mmol loading, 1 % cross-linked
Benzyl alcohol, polymer-bound, 70-90 mesh, extent of labeling: 2.0-3.0 mmol loading, 1 % cross-linked
InChI=1/C7H8O/c8-6-7-4-2-1-3-5-7/h1-5,8H,6H
Benzyl alcohol, polymer-bound, 70-90 mesh, extent of labeling: 0.5-1.0 mmol/g loading, 1 % cross-linked with divinylbenzene
Benzyl alcohol, polymer-bound, 70-90 mesh, extent of labeling: 1.0-1.5 mmol/g loading, 1 % cross-linked
Benzyl alcohol, polymer-bound, 100-200 mesh, extent of labeling: 1.0-2.0 mmol/g loading, 1 % cross-linked with divinylbenzene
Benzyl alcohol, polymer-bound, 100-200 mesh, extent of labeling: 0.5-1.0 mmol/g loading, 1 % cross-linked
IUPAC namephenylmethanol
SMILESC1=CC=C(C=C1)CO
InchiInChI=1S/C7H8O/c8-6-7-4-2-1-3-5-7/h1-5,8H,6H2
FormulaC7H8O
PubChem ID244
Molweight108.14
LogP1.21
Atoms16
Bonds16
H-bond Acceptor1
H-bond Donor1
Chemical ClassificationBenzenoids Alcohols

mVOC Specific Details

Volatilization
The Henry's Law constant for benzyl alcohol is 3.37X10-7 atm cu m/mole(1). This Henry's Law constant indicates that benzyl alcohol is expected to be essentially nonvolatile from water and moist soil 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 113 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 825 days(SRC). Benzyl alcohol's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). Benzyl alcohol is not expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 9.4X10-2 mm Hg(3).
Literature: (1) Abraham MH et al; J Pharm Sci 83: 1085-100 (1994) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (3) Daubert TE, Danner RP; Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, DC: Taylor and Francis (1989)
Soil Adsorption
Experimental Koc values for benzyl alcohol were <5 for three different soils; Apison (0.11% organic carbon), Fullerton (0.06% organic carbon), and Dormont (1.2% organic carbon)(1). An experimental Koc of 15 was determined for benzyl alcohol on a red-brown Australian soil (1.09% organic carbon)(2,3). A log Koc of 1.43 has also been reported(4). According to a classification scheme(5), these Koc values suggest that benzyl alcohol is expected to have very high mobility in soil.
Literature: (1) Southworth GR, Keller JL; Water Air Soil Poll 28: 239-48 (1986) (2) Briggs GG; Aust J Soil Res 19: 61-8 (1981) (3) Briggs GG; J Agric Food Chem 29: 1050-9 (1981) (4) Xu F et al; J Environ Qual 30: 1618-23 (2001) (5) Swann RL et al; Res Rev 85: 17-28 (1983)
Vapor Pressure
PressureReference
0.094 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
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
BacteriaChondromyces Crocatus Cm C2n/aSchulz et al., 2004
BacteriaChondromyces Crocatus Cm C5n/aSchulz et al., 2004
BacteriaCytophaga-Flavobacteria-Bacteroides Groupn/aSchulz and Dickschat, 2007
BacteriaCytophaga-Flavobacterium-Bacteroides Group Strain ARK 10267n/aDickschat et al., 2005_3
BacteriaMyxobacterium Spp.n/aSchulz and Dickschat, 2007
BacteriaNannocystis Exedens Na EB37n/aDickschat et al., 2007
BacteriaNannocystis Exedens Subsp. Cinnabarina Na C29n/aDickschat et al., 2007
BacteriaPropionibacterium Acidifaciens DSM 21887 as a biomarker for a breath test for detection of cariesHertel et al., 2015
BacteriaPseudomonas Syringae S22naphyllosphere of field-grown potato plantsHunziker et al., 2015
BacteriaStigmatella Aurantiaca DW4/3-1n/aDickschat et al., 2005_5
BacteriaStigmatella Aurantiaca Sg A15n/aDickschat et al., 2005_5
BacteriaStreptomyces Sp. GWS-BW-H5.n/aDickschat et al., 2005_2
BacteriaStreptomyces Spp.n/aSchulz and Dickschat, 2007
FungiAgaricus EssetteiRapior et al. 2002
FungiAscocoryne Sarcoides NRRL 50072n/aMallette et al. 2012
FungiBjerkandera Adusta CBS 595.78n/aLapadatescu et al., 2000
FungiPhellinus Sp.n/aStotzky and Schenk, 1976
FungiPolyporus Tuberaster K2606 culture collection Takara Shuzo Food Research LaboratoriesKawabe et al. 1994
BacteriaBranhamella CatatthalisclinicPreti., 2009
BacteriaHaemophilus InfluenzaeclinicPreti., 2009
BacteriaStreptococcus PneumoniaeclinicPreti., 2009
BacteriaXanthomonas Campestris Pv. Vesicatoria 85-10n/aWeise et al., 2012
Fungi Dickschat 2017
Fungi Bjerkandera AdustaSpinnler at al. 1994
FungiPleurotus CystidiosusnanaUsami et al., 2014
FungiPleurotus Eryngii Var. TuoliensisnanaUsami et al., 2014
BacteriaBacillus Cereus B-569n/aBlom et al., 2011
BacteriaBurkholderia Andropogonis LMG 2129n/aBlom et al., 2011
BacteriaBurkholderia Caribensis LMG 18531n/aBlom et al., 2011
BacteriaBurkholderia Caryophylli LMG 2155n/aBlom et al., 2011
BacteriaBurkholderia Fungorum LMG 16225n/aBlom et al., 2011
BacteriaBurkholderia Gladioli LMG 2216n/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 Phenazinium LMG 2247n/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
BacteriaCellulomonas Udan/aBlom et al., 2011
BacteriaEscherichia Coli OP50n/aBlom et al., 2011
BacteriaPseudomonas Chlororaphisn/aBlom et al., 2011
BacteriaPseudomonas Fluorescens WCS 417rn/aBlom et al., 2011
BacteriaPseudomonas Putida ISOfn/aBlom et al., 2011
BacteriaSerratia Entomophilia A1MO2n/aBlom et al., 2011
BacteriaSerratia Marcescens MG1n/aBlom et al., 2011
BacteriaSerratia Plymuthica HRO-C48n/aBlom et al., 2011
BacteriaSerratia Proteamaculans B5an/aBlom et al., 2011
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 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
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
BacteriaChondromyces Crocatus Cm C2n/an/a
BacteriaChondromyces Crocatus Cm C5n/an/a
BacteriaCytophaga-Flavobacteria-Bacteroides Groupn/an/a
BacteriaCytophaga-Flavobacterium-Bacteroides Group Strain ARK 10267n/an/a
BacteriaMyxobacterium Spp.n/an/a
BacteriaNannocystis Exedens Na EB37n/an/a
BacteriaNannocystis Exedens Subsp. Cinnabarina Na C29n/an/a
BacteriaPropionibacterium Acidifaciens DSM 21887Brain-Heart-Infusion agarTenaxâ„¢-trap/GC-MS
BacteriaPseudomonas Syringae S22LB mediumGC/MSYes
BacteriaStigmatella Aurantiaca DW4/3-1n/an/a
BacteriaStigmatella Aurantiaca Sg A15n/an/a
BacteriaStreptomyces Sp. GWS-BW-H5.n/an/a
BacteriaStreptomyces Spp.n/an/a
FungiAgaricus Essetteihydro-destillation, solvent extraction, GC-MSno
FungiAscocoryne Sarcoides NRRL 50072Minimal mediumPTR-MS and SPME GC-MS
FungiBjerkandera Adusta CBS 595.78Minimal media plus glucose and L-phenylalanineExtraction with dichloromethane or with ethyl acetate, concentration under N2 stream /GC-MS.
FungiPhellinus Sp.n/an/a
FungiPolyporus Tuberaster K2606PGYGC-MSno
BacteriaBranhamella CatatthalisBlood agar/chocolate blood agaHS-SPME/GC-MS no
BacteriaHaemophilus InfluenzaeBlood agar/chocolate blood agaHS-SPME/GC-MS no
BacteriaStreptococcus PneumoniaeBlood agar/chocolate blood agaHS-SPME/GC-MS no
BacteriaXanthomonas Campestris Pv. Vesicatoria 85-10NBIIClosed airflow-system/GC-MS and PTR-MS
Fungi no
Fungi Bjerkandera Adustano
FungiPleurotus CystidiosusnaGC/MS, GC-O, AEDANo
FungiPleurotus Eryngii Var. TuoliensisnaGC/MS, GC-O, AEDANo
BacteriaBacillus Cereus B-569LBHeadspace 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, MS and AngleHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Caribensis LMG 18531LBHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Caryophylli LMG 2155LB and MS Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Fungorum LMG 16225LBHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Gladioli LMG 2216LB, MR-VP, MS and AngleHeadspace 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 19447MR-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 Phytofirmans LMG 22487LB, 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 Pyrrocinia LMG 21822LBHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Sacchari LMG 19450LB, MR-VP and MSHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaCellulomonas UdaLB and MS Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaEscherichia Coli OP50LB, MR-VP and MS Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaPseudomonas ChlororaphisLB, MR-VP and MS Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaPseudomonas Fluorescens WCS 417rLBHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaPseudomonas Putida ISOfLB and MS Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaSerratia Entomophilia A1MO2MS Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaSerratia Marcescens MG1MS Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaSerratia Plymuthica HRO-C48MS Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaSerratia Proteamaculans B5aLB, MR-VP and MS Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
FungiTuber BorchiiNoneNoneYes
FungiTuber IndicumNoneNoneYes
FungiTuber MelanosporumNoneNoneYes


5-methyl-2-propan-2-ylcyclohexan-1-ol

Mass-Spectra

Compound Details

Synonymous names
Neomenthol
Racementhol
Fisherman's friend lozenges
Mentholum
NOOLISFMXDJSKH-UHFFFAOYSA-N
MENTHOL
Menthyl alcohol
Robitussin Cough Drops
Therapeutic mineral ice
d-Neomenthol
Mineral ice
dl-Menthol
AC1Q2QQM
2-Isopropyl-5-methylcyclohexanol
DL-Menthol, analytical standard
AC1L1B2E
ACMC-1BQW4
L7T10EIP3A
SCHEMBL4612
2-Isopropyl-5-methylcyclohexanol #
3-p-Menthol
K601
2-Isopropyl-5-methyl-cyclohexanol
Fisherman's friend lozenges (TN)
Menthol (USP)
Menthol [USP]
UNII-L7T10EIP3A
(?)-Menthol
dl-3-p-Menthanol
H2461
M0321
Menthol, 99%
AM81446
CHEMBL256087
LS-886
Menthol(-)
p-Menthan-3-ol
RL02685
RP22054
1-methyl-4-isopropyl-3-hydroxycyclohexane
19863P
CCRIS 9231
D04849
D04918
DSSTox_CID_805
AK111256
BBL009325
BT000185
DL-MENTHOL, CRYSTAL, USP
DR000160
DTXSID8029650
OR223322
OR240888
OR273366
STK802468
A808833
CHEBI:25187
L(-)-Menthol
RACEMIC MENTHOL U.S.P.
(-) menthol
(+) Menthol
(+)-Menthol
2-Isopropyl-5-methylcyclohexan-1-ol
4-Isopropyl-1-methylcyclohexan-3-ol
AN-19301
AN-19302
AN-19706
AN-20764
AN-24175
ANW-21459
D-p-Menthan-3-ol
DSSTox_GSID_29650
KB-78308
LS-57201
LS-89531
SC-01321
SC-54016
SC-84251
Caswell No. 540
DSSTox_RID_78794
MFCD00001484
(+)-Neo-menthol
AI3-08161
DB-063989
dl-Menthol (JP17)
KB-231063
ST24028056
TC-030785
TC-110204
5-Methyl-2-(1-methylethyl)cyclohexanol
AKOS000119740
AKOS016843634
EPA Pesticide Chemical Code 051601
I14-7371
J-500418
FT-0620596
FT-0625488
FT-0693479
FT-0695077
FT-0695078
FT-0695079
89-78-1
Tox21_200010
Tox21_303464
491-01-0
5-Methyl-2-(1-methylethyl)-cyclohexanol
Z1258992394
(+/-) menthol
(+/-)-Menthol
5-methyl-2-(propan-2-yl)cyclohexanol
1490-04-6
MCULE-3070949324
Menthol, SAJ special grade, >=98.0%
NCGC00159382-03
NCGC00159382-04
NCGC00159382-05
NCGC00159382-06
NCGC00257403-01
NCGC00257564-01
5-methyl-2-propan-2-yl-1-cyclohexanol
5-methyl-2-propan-2-ylcyclohexan-1-ol
EINECS 216-074-4
MENTHOL, (+)-neo-
Menthol, puriss., 99.0%
15356-70-4
20747-49-3
Cyclohexanol 5-methyl-2-(1-methylethyl)-
DL-Menthol, >=95%, FCC, FG
(+)-p-Menthan-3-ol
CAS-1490-04-6
EC 216-074-4
(DL)-5-methyl-2-(1-methylethyl)cyclohexanol
5-methyl-2-propan-2-yl-cyclohexan-1-ol
MolPort-000-849-729
Cyclohexanol, 5-methyl-2-(1-methylethyl)-
(1S,2R,5R)-2-isopropyl-5-methyl-cyclohexanol
5-methyl-2-(propan-2-yl)cyclohexan-1-ol
Menthol, trans-1,3,trans-1,4-
(+/-)-p-Menthan-3-ol
(1S,2R,5R)-(+)-Isomenthol
Menthol, (.+/-.)-
5-methyl-2-(1-methylethyl)cyclohexanol (1alpha, 2beta, 5alpha)
(1S, 2S, 5R)-(+)-Neomenthol
cis-1,3-trans-1,4-(+-)-menthol
cis-1 ,3-trans-1,4-(+-)-menthol
(+/-)-Menthol, racemic, >=98.0% (GC)
Cyclohexanol, 5-methyl-2-(1-methylethyl)-, (1R,2S,5S)-
Cyclohexanol, 5-methyl-2-(1-methylethyl)-, (1S,2R,5R)-
Cyclohexanol, 5-methyl-2-(1-methylethyl)-, (1S,2S,5R)-
Cyclohexanol, 5-methyl-2-(1-methylethyl)-, (1R,2R,5S)-rel-
Cyclohexanol, 5-methyl-2-(1-methylethyl)-, (1R,2S,5R)-rel-
Cyclohexanol, 5-methyl-2-propyl-, (1S-(1-alpha,2-alpha,5-beta))-
Cyclohexanol, 5-methyl-2-(1-methylethyl)-, [1S-(1?,2?,5ss)]-
Cyclohexanol, 5-methyl-2-(1-methylethyl)-, [1S-(1?,2ss,5?)]-
Cyclohexanol, 5-methyl-2-(1-methylethyl)-, (1alpha,2beta,5alpha)-(+-)-
Cyclohexanol, 5-methyl-2-(1-methylethyl)-, (1.alpha.,2.alpha.,5.beta.)-
Cyclohexanol, 5-methyl-2-(1-methylethyl)-, (1.alpha.,2.beta.,5.alpha.)-
Cyclohexanol, 5-methyl-2-(1-methylethyl)-, (1?,2ss,5?)-(+/-)-
Cyclohexanol, 5-methyl-2-(1-methylethyl)-, [1R-(1.alpha.,2.alpha.,5.beta.)]-
Cyclohexanol, 5-methyl-2-(1-methylethyl)-, [1S-(1.alpha.,2.alpha.,5.beta.)]-
Cyclohexanol, 5-methyl-2-(1-methylethyl)-, [1S-(1.alpha.,2.beta.,5.beta.)]-
Menthol solution, NMR reference standard, 30 wt. % in chloroform-d (99.8 atom % D), NMR tube size 5 mm x 8 in.
Cyclohexanol, 5-methyl-2-(1-methylethyl)-, (1.alpha.,2.beta.,5.alpha.)-(.+/-.)-
Menthol solution, NMR reference standard, 50% in chloroform-d (99.8 atom % D), chromium(III) acetylacetonate 0.5 %, NMR tube size 5 mm x 8 in.
IUPAC name5-methyl-2-propan-2-ylcyclohexan-1-ol
SMILESCC1CCC(C(C1)O)C(C)C
InchiInChI=1S/C10H20O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-11H,4-6H2,1-3H3
FormulaC10H20O
PubChem ID1254
Molweight156.269
LogP2.66
Atoms31
Bonds31
H-bond Acceptor1
H-bond Donor1
Chemical ClassificationTerpenes Alcohols

mVOC Specific Details

Volatilization
The Henry's Law constant for menthol is estimated as 2.6X10-5 atm-cu m/mole(SRC) using a fragment constant estimation method(1). This Henry's Law constant indicates that menthol is expected to volatilize from water surfaces(2). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec)(2) is estimated as 2 days(SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(2) is estimated as 18 days(SRC). Menthol's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). Menthol is not expected to volatilize from dry soil surfaces(SRC) based upon an estimated vapor pressure of 7.7X10-3 mm Hg(SRC), determined from a fragment constant method(1).
Literature: (1) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.1. Nov, 2012. Available from, as of May 13, 2015: http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990)
Soil Adsorption
Using a structure estimation method based on molecular connectivity indices(1), the Koc of menthol can be estimated to be 88(SRC). According to a classification scheme(2), this estimated Koc value suggests that menthol is expected to have high mobility in soil.
Literature: (1) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.1. Nov, 2012. Available from, as of May 13, 2015: http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm
Vapor Pressure
PressureReference
7.67X10-3 mm Hg at 25 deg C (est)US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.1. Nov, 2012. Available from, as of July 28, 2015: http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm
MS-Links

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaCarnobacterium Divergens 9Pn/aErcolini et al., 2009
BacteriaCytophaga-Flavobacterium-Bacteroides Group Strain ARK 10063n/aDickschat et al., 2005_3
BacteriaPseudomonas Fragi 25Pn/aErcolini et al., 2009
BacteriaSerratia Proteamaculans 42Mn/aErcolini et al., 2009
BacteriaStigmatella Aurantiaca DW4/3-1n/aDickschat et al., 2005_5
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaCarnobacterium Divergens 9Pn/an/a
BacteriaCytophaga-Flavobacterium-Bacteroides Group Strain ARK 10063n/an/a
BacteriaPseudomonas Fragi 25Pn/an/a
BacteriaSerratia Proteamaculans 42Mn/an/a
BacteriaStigmatella Aurantiaca DW4/3-1n/an/a


Hexadecan-1-ol

Mass-Spectra

Compound Details

Synonymous names
hexadecylalcohol
Isohexadecanol
cetylalcohol
Cetylalkohol
HEXADECANOL
Isohexadecyl alcohol
BXWNKGSJHAJOGX-UHFFFAOYSA-N
Cetaffine
Hexadecyl alcohol
Cetanol
Cetylic alcohol
Cetylol
Hyfatol
Isocetyl alcohol
palmitic alcohol
Palmityl alcohol
1-Hydroxyhexadecane
Cetal
cetyl alcohol
Ethal
Ethol
Hexadecanol NF
Loxanwachs SK
N-Hexadecanol
Normal primary hexadecyl alcohol
Ceraphyl ICA
Crodacol-CAS
Crodacol-CAT
Cyclal cetyl alcohol
1-Hexanedecanol
Cetalol CA
Crodacol C
Elfacos C
Fancol CA
Lipocol C
Loxanol K
n-Hexadecyl alcohol
Siponol CC
1-Hexadecanol
Atalco C
Cetyl alcohol NF
Cetyl alcohol, analytical standard
Hexadecyl alcohol, normal
Lanol C
Rita CA
1-Hexadecyl alcohol
ACMC-1AJXA
Loxanol K extra
n-Cetyl alcohol
SSD RP
1-Cetanol
16-Hexadecanol
CHEMBL706
Crodacol C95NF
Siponol wax-A
1-Hexadecyl alc
C16 alcohol
Crodacol C70
Eutanol G16
n-1-Hexadecanol
936JST6JCN
Adol 52NF
Alfol 16RD
Cetyl alcohol (hexadecanol)
Epal 16NF
Hexadecan-1-ol
Hexadecanol (VAN)
Hyfatol 16
Lanette 16
Laurex 16
Lorol C16
LorolL 24
SCHEMBL3381
AC1L1E85
Adol 52
Adol 54
Aldol 54
Alfol 16
Epal 16
KSC206A8T
Lorol 24
ARONIS25150
Crodacol C95 NF
Dehydag wax 16
NSC4194
Product 308
UNII-936JST6JCN
Adol 520
Alcohol C-16
Cachalot C-50
Cachalot C-51
Cachalot C-52
Cetanol (TN)
CTK1A6089
HMDB03424
n-Hexadecan-1-ol
Philcohol 1600
Adol 52 NF
Cetyl alcohol (NF)
Cetyl alcohol [NF]
Dytol F-11
Kalcol 6098
NE10353
UNII-2DMT128M1S component BXWNKGSJHAJOGX-UHFFFAOYSA-N
UNII-S4827SZE3L component BXWNKGSJHAJOGX-UHFFFAOYSA-N
bmse000487
C00823
Cetyl alcohol, European Pharmacopoeia (EP) Reference Standard
D00099
Fatty alcohol(C16)
HMS3652H05
HSDB 2643
1-Hexadecanol, >=99%
Cachalot C-50 NF
CO-1670
CO-1695
CS-D1348
DTXSID4027991
FEMA Number 2554
LP003429
LS-2793
NSC 4194
NSC-4194
SBB060167
SSD (Salt/Mix)
ST075158
STL283943
UNII-B1K89384RJ component BXWNKGSJHAJOGX-UHFFFAOYSA-N
1-Hexadecanol, 95%
Cetanol (JP17)
Cetyl Alcohol, pharmaceutical secondary standard; traceable to USP and PhEur
Cetyl alcohol, United States Pharmacopeia (USP) Reference Standard
CHEBI:16125
DSSTox_CID_7991
Loxiol VPG 1743
ZINC8214519
AK-48193
ANW-28459
Caswell No. 165D
DSSTox_GSID_27991
Hyfatol 16-95
SC-18656
ST2415347
TRA0159983
DSSTox_RID_78633
LMFA05000061
MFCD00004760
SSD RP (Salt/Mix)
AI3-00755
KB-218917
RTR-036616
TR-036616
AKOS005287456
Alcohols, C14-18
EPA Pesticide Chemical Code 001508
xOemicro (1/4)
BRN 1748475
FEMA No. 2554
I14-18880
Michel XO-150-16
EN300-19351
Tox21_111609
Tox21_300325
124-29-8
F0001-1047
1-Hexadecanol, ReagentPlus(R), 99%
8014-51-5
8023-37-8
8032-16-4
8032-17-5
8032-89-1
MCULE-9457426256
NCGC00159368-02
NCGC00159368-03
NCGC00159368-04
NCGC00159368-05
NCGC00159368-06
NCGC00254286-01
AB01566915_01
Cetyl alcohol, SAJ special grade, >=98.0%
EINECS 252-964-9
EINECS 253-149-0
29354-98-1
36653-82-4
51260-59-4
55069-45-9
Cetyl alcohol, Selectophore(TM), >=99.0%
Cetyl alcohol, puriss., 95.0%
SR-01000944409
Tox21_111609_1
1-Hexadecanol, Vetec(TM) reagent grade, 94%
CAS-36653-82-4
MolPort-001-783-290
1173838-87-3
1-E(R)AuIe (1/4)
SR-01000944409-1
19141-82-3 (aluminum salt)
Cetyl alcohol, puriss., >=99.0% (GC)
S4173,36653-82-4
4-01-00-01876 (Beilstein Handbook Reference)
810F139F-C57E-4DF1-916A-A320AD0DAF4D
InChI=1/C16H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h17H,2-16H2,1H
IUPAC namehexadecan-1-ol
SMILESCCCCCCCCCCCCCCCCO
InchiInChI=1S/C16H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h17H,2-16H2,1H3
FormulaC16H34O
PubChem ID2682
Molweight242.447
LogP6.14
Atoms51
Bonds50
H-bond Acceptor1
H-bond Donor1
Chemical ClassificationAlcohols

mVOC Specific Details

Boiling Point
DegreeReference
334 deg C at 760 mm HgLide, D.R., G.W.A. Milne (eds.). Handbook of Data on Organic Compounds. Volume I. 3rd ed. CRC Press, Inc. Boca Raton ,FL. 1994., p. V3: 3026
Volatilization
The Henry's Law constant for 1-hexadecanol is estimated as 4.6X10-5 atm-cu m/mole(SRC) derived from its vapor pressure, 6.0X10-6 mm Hg(1), and water solubility, 4.1X10-2 mg/L(2). This Henry's Law constant indicates that 1-hexadecanol is expected to volatilize from water surfaces(3). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec)(3) is estimated as 23 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 12 days(SRC). However, volatilization from water surfaces is expected to be attenuated by adsorption to suspended solids and sediment in the water column. The estimated volatilization half-life from a model pond is 1.8 years if adsorption is considered (4). 1-Hexadecanol's estimated Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). 1-Hexadecanol is not expected to volatilize from dry soil surfaces(SRC) based upon its vapor pressure(1).
Literature: (1) Daubert TE, Danner RP; Physical and Thermodynamic Properties of Pure Chemicals Data Compilation Washington, DC: Taylor and Francis supplement 5 (1995) (2) Yalkowsky SH, He Y; Handbook of Aqueous Solubility Data. CRC Press LLC, Boca Raton, FL. p. 1063 (2003) (3) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (4) US EPA; EXAMS II Computer Simulation (1987)
Soil Adsorption
The Koc of 1-hexadecanol is estimated as 25,000(SRC), using a water solubility of 4.122X10-2(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that 1-hexadecanol is expected to be immobile in soil.
Literature: (1) Yalkowsky SH, He Y; Handbook of Aqueous Solubility Data. CRC Press LLC, Boca Raton, FL. p. 1063 (2003) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 4-5 (1990) (3) Swann RL et al; Res Rev 85: 17-28 (1983)
Vapor Pressure
PressureReference
6X10-6 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 Simplexn/aGu et al., 2007
BacteriaBacillus Subtilisn/aGu et al., 2007
BacteriaBacillus Weihenstephanensisn/aGu et al., 2007
BacteriaMicrobacterium Oxydansn/aGu et al., 2007
BacteriaSerratia Marcescensn/aGu et al., 2007
BacteriaStenotrophomonas Maltophilian/aGu et al., 2007
BacteriaStreptomyces Lateritiusn/aGu et al., 2007
BacteriaNannocystis Exedens Na EB37n/aDickschat et al., 2007
BacteriaNannocystis Exedens Subsp. Cinnabarina Na C29n/aDickschat et al., 2007
BacteriaStigmatella Aurantiaca Sg A15n/aDickschat et al., 2005_5
BacteriaCarnobacterium Divergens 9Pn/aErcolini et al., 2009
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaBacillus Simplexn/an/a
BacteriaBacillus Subtilisn/an/a
BacteriaBacillus Weihenstephanensisn/an/a
BacteriaMicrobacterium Oxydansn/an/a
BacteriaSerratia Marcescensn/an/a
BacteriaStenotrophomonas Maltophilian/an/a
BacteriaStreptomyces Lateritiusn/an/a
BacteriaNannocystis Exedens Na EB37n/an/a
BacteriaNannocystis Exedens Subsp. Cinnabarina Na C29n/an/a
BacteriaStigmatella Aurantiaca Sg A15n/an/a
BacteriaCarnobacterium Divergens 9Pn/an/a


Methyl 2-hydroxybenzoate

Mass-Spectra

Compound Details

Synonymous names
Wintergruenoel
Gaultheriaoel
methyl hydroxybenzoate
Methylester kyseliny salicylove
Metylester kyseliny salicylove
Panalgesic
Theragesic
Flucarmit
methyl salicylate
Methyl2-Hydroxybenzoate
Methylis salicylas
OSWPMRLSEDHDFF-UHFFFAOYSA-N
PredaLure
2-Carbomethoxyphenol
Analgit
Betula
Exagien
Methyl o-hydroxybenzoate
Synthetic Wintergreen Oil
Wintergreen oil
Anthrapole ND
Gaultheria oil
Natural Wintergreen Oil
paragraph sign notAIUO
paragraph sign notCaOI
salicylate methyl ester
Spicewood Oil
Betula Lenta
Methyl salicylate, analytical standard
salicylic acid methyl
Teaberry oil
Betula oil
Birch oil
Methyl 2-hydroxybenzoate
methyl-2-hydroxybenzoate
OIL OF WINTERGREEN
Salicylic Acid Methyl Ester
AC1L1HHJ
Ben Gay
Betula lenta oil
BIRCH-ME
Gaultheria oil, artificial
Methyl salicylate, BioXtra
WINTER GREEN OIL
Wintergreen Oil, synthetic
1-O-methylsalicylate
ACMC-1BSKR
Birch Bark oil
Black birch oil
Sweet birch oil
Methylester kyseliny salicylove [Czech]
2-(Methoxycarbonyl)phenol
2-Hydroxybenzoic acid methyl ester
AC1Q42RT
Metylester kyseliny salicylove [Czech]
Salicylic acid, methyl ester
Wintergreen oil, China origin
ZINC490
Betula oil, Wintergreen oil
Methyl salicylate (natural)
o-Hydroxybenzoic acid, methyl ester
Oils, sweet birch
SCHEMBL5312
Birch oil, sweet
GTPL2431
H364
KSC175K7B
Methyl salicylate, pharmaceutical secondary standard; traceable to USP
Methyl salicylate (TN)
Methyl salicylate [JAN]
NSC8204
2-Hydroxy-benzoic acid methyl ester
2-Hydroxybenzoic acid, methyl ester
CTK0H5570
LAV5U5022Y
methyl ester 2-hydroxy benzoic acid
Methyl salicylate, 98%
S0015
Theragesic (Salt/Mix)
BIDD:ER0323
CHEMBL108545
LS-616
NE10156
RP21593
Salonpas (Salt/Mix)
C12305
CCRIS 6259
D01087
HMS1398J05
HMS2089H12
HSDB 1935
Methyl salicylate [JAN:NF]
Methyl salicylate, United States Pharmacopeia (USP) Reference Standard
UNII-LAV5U5022Y
WLN: QR BVO1
AK105942
BBL010504
BT000168
DTXSID5025659
FEMA Number 2745
Methyl ester of 2-hydroxy-benzoic acid
NSC 8204
NSC-8204
OR001314
OR207884
OR207885
SBB053705
STK397388
CHEBI:31832
DSSTox_CID_5659
AC-11584
AJ-07901
AN-22802
AN-37948
ANW-17321
CJ-00014
DSSTox_GSID_25659
Enamine_001611
KB-53924
KB-54838
LS-98262
Methyl salicylate, tested according to Ph.Eur.
TS-02010
BB_SC-7170
Benzoic acid, hydroxy-, methyl ester
Caswell No. 577
DSSTox_RID_77872
Methyl salicylate (JP17/NF)
MFCD00002214
ZINC00000490
AI3-00090
DB-012808
RTR-003257
ST24030969
ST50715363
TR-003257
AKOS000118977
EPA Pesticide Chemical Code 076601
I01-4358
I01-8932
Q-100939
Z19703590
BRN 0971516
FEMA No. 2154
FEMA No. 2745
FT-0612582
FT-0622968
FT-0698844
Tox21_111081
Tox21_201543
Tox21_300137
119-36-8
Benzoic acid, 2-hydroxy-, methyl ester
Birch sweet oil (Betula lenta L.)
F0001-0306
Methyl salicylate, >=98%, FCC, FG
Methyl salicylate, 98% 500g
8022-86-4
8024-54-2
MCULE-5398249325
Methyl salicylate, SAJ first grade, >=98.0%
Methyl salicylate, Vetec(TM) reagent grade, 99%
NCGC00091106-01
NCGC00091106-02
NCGC00091106-03
NCGC00091106-04
NCGC00091106-05
NCGC00254104-01
NCGC00259093-01
AB01275470-01
CAS-119-36-8
EINECS 204-317-7
68917-75-9
90045-28-6
EC 204-317-7
SR-05000001473
648434-07-5
Methyl salicylate, natural, 98%, FCC, FG
1929-EP2272835A1
1929-EP2272844A1
MolPort-001-783-865
2-[Hydroxy(methoxy)methylene]-3,5-cyclohexadiene-1-one
Methyl salicylate, ReagentPlus(R), >=99% (GC)
23256-EP2277848A1
23256-EP2289892A1
23256-EP2298735A1
23256-EP2305250A1
23256-EP2305688A1
23256-EP2308867A2
23256-EP2308870A2
23256-EP2311824A1
23256-EP2311842A2
23256-EP2314584A1
7631-93-8 (hydrochloride salt)
SR-05000001473-1
6-[(E)-Methoxyhydroxymethylene]-2,4-cyclohexadiene-1-one
4-10-00-00143 (Beilstein Handbook Reference)
Methyl salicylate, puriss., 99.0-100.5%
AUoC>>u+/-(1/2)(1/4)xEa(1/4)xo yen
2-oC>>u+/-(1/2)(1/4)xEa(1/4)xo yen
InChI=1/C8H8O3/c1-11-8(10)6-4-2-3-5-7(6)9/h2-5,9H,1H
IUPAC namemethyl 2-hydroxybenzoate
SMILESCOC(=O)C1=CC=CC=C1O
InchiInChI=1S/C8H8O3/c1-11-8(10)6-4-2-3-5-7(6)9/h2-5,9H,1H3
FormulaC8H8O3
PubChem ID4133
Molweight152.149
LogP2.32
Atoms19
Bonds19
H-bond Acceptor2
H-bond Donor1
Chemical ClassificationBenzenoids Esters Alcohols Ester

mVOC Specific Details

Volatilization
The Henry's Law constant for methyl salicylate is 9.3X10-7 atm-cu-m/mol(SRC) calculated from its vapor pressure, 0.0343 mm Hg(1), and water solubility, 7400 mg/L(2). Using this value for the Henry's Law constant, one can estimate a volatilization half-life of 49 days in a model river 1 m deep flowing at 1 m/s with a wind speed of 3 m/s(3). Similarly, the volatilization half-life of methyl salicylate from a model lake 1 m deep, with a 0.05 m/s current and a 0.5 m/s wind is estimated to be 359 days. Methyl salicylate sprayed onto air-dried soil volatilizes rapidly(4). The amount of chemical that is adsorbed to the soil, evaporates more slowly by a diffusion-controlled mechanism(4).
Literature: (1) Daubert TE, Danner RP; Data Compilation Tables of Properties of Pure Compounds NY, NY: Amer Inst for Phys Prop Data (1989) (2) Riddick JA et al; Organic Solvents 4th ed; NY, NY: Wiley (1986) (3) Lyman WJ et al (eds); Handbook of Chemical Property Estimation Methods, NY: McGraw-Hill Chapt 15 (1982) (4) Reichman R et al; Soil Sci 148: 191-8 (1989)
Soil Adsorption
The Koc for methyl salicylate estimated from molecular structure is 128(1) and is 33(3,SRC) estimated from its water solubility, 7400 mg/L(2), using a regression equation. According to a suggested classification scheme(4), these low Koc values suggest that methyl salicylate would be highly or very highly mobile in soil(SRC).
Literature: (1) Meylan WM et al; Environ Sci Technol 26: 1560-7 (1992) (2) Riddick JA et al; Organic Solvents 4th ed; NY, NY: Wiley (1986) (3) Lyman WJ et al ; Handbook of Chemical Property Estimation Methods, NY: McGraw-Hill Chapt 4 (1982) (4) Swann RL et al; Res Rev 85: 17-28 (1983)
Vapor Pressure
PressureReference
Vapor pressure = 0.0343 mm Hg @ 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
BacteriaChondromyces Crocatusn/aSchulz and Dickschat, 2007
BacteriaChondromyces Crocatus Cm C2n/aSchulz et al., 2004
BacteriaChondromyces Crocatus Cm C5n/aSchulz et al., 2004
BacteriaCollimonas Pratensis Ter91n/aGarbeva et al., 2013
BacteriaStigmatella Aurantiacan/aSchulz and Dickschat, 2007
BacteriaStigmatella Aurantiaca Sg A15n/aDickschat et al., 2005_5
FungiPhellinus Sp.n/aStotzky and Schenk, 1976
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaChondromyces Crocatusn/an/a
BacteriaChondromyces Crocatus Cm C2n/an/a
BacteriaChondromyces Crocatus Cm C5n/an/a
BacteriaCollimonas Pratensis Ter91Headspace trapping/GC-MS
BacteriaStigmatella Aurantiacan/an/a
BacteriaStigmatella Aurantiaca Sg A15n/an/a
FungiPhellinus Sp.n/an/a


4-methylquinoline

Mass-Spectra

Compound Details

Synonymous names
Cincholepidine
gamma-Methylquinoline
Lepidine
MUDSDYNRBDKLGK-UHFFFAOYSA-N
p-Methylquinoline
Lepidene
Lepidin
4-METHYLQUINOLINE
p-methyl quinoline
AC1L1UVN
AC1Q2RAJ
4-Lepidine
ACMC-1AHYH
.gamma.-Methylquinoline
4-methyl quinoline
4-methyl-quinoline
quinol-4-ylmethane
CHEMBL9734
L758
KSC235Q6N
NSC3412
Lepidine (4-Methylquinoline)
SCHEMBL31559
Lepidine, 99%
CTK1D5866
L0024
STR06140
RP20851
4-Methylquinoline, >=99%
CCRIS 2894
HSDB 7153
A22510
A15593
Quinoline, 4-methyl-
HE000809
HE345242
DTXSID7047067
SBB058784
NSC-3412
PS-3771
NSC 3412
M-5284
ZINC1666750
CHEBI:48983
CJ-26989
SC-12713
SC-15612
ST2413199
LS-87752
AJ-29036
DSSTox_GSID_47067
AK-49826
AN-21392
KB-39726
ANW-30727
BR-49826
DSSTox_RID_82083
DSSTox_CID_27067
Lepidine (6CI,8CI)
3S211042
MFCD00006784
3S110963
ZINC01666750
TC-020151
AI3-24277
ST50823863
DB-013319
TX-017072
116169T3O8
AKOS000119150
J-515822
FT-0627792
UNII-116169T3O8
FT-0659357
FT-0083296
BRN 0110926
Z966690984
Tox21_301829
491-35-0
NCGC00184238-02
MCULE-8999201921
NCGC00184238-01
NCGC00256086-01
NCGC00184238-03
NCGC00184238-04
NCGC00184238-05
NCGC00184238-06
NCGC00184238-07
NCGC00184238-08
NCGC00184238-09
NCGC00184238-10
CAS-491-35-0
EINECS 207-734-2
Quinoline, 4-methyl- (9CI)
MolPort-001-781-554
3007-43-0 (hydrochloride)
5-20-07-00389 (Beilstein Handbook Reference)
InChI=1/C10H9N/c1-8-6-7-11-10-5-3-2-4-9(8)10/h2-7H,1H
IUPAC name4-methylquinoline
SMILESCC1=CC=NC2=CC=CC=C12
InchiInChI=1S/C10H9N/c1-8-6-7-11-10-5-3-2-4-9(8)10/h2-7H,1H3
FormulaC10H9N
PubChem ID10285
Molweight143.189
LogP2.64
Atoms20
Bonds21
H-bond Acceptor1
H-bond Donor0
Chemical ClassificationBicyclo N-Compounds benzenoids pyridines nitrogen compounds

mVOC Specific Details

Boiling Point
DegreeReference
261-263 deg CO'Neil, M.J. (ed.). The Merck Index - An Encyclopedia of Chemicals, Drugs, and Biologicals. 13th Edition, Whitehouse Station, NJ: Merck and Co., Inc., 2001., p. 973
Volatilization
The Henry's Law constant for 4-methylquinoline is estimated as 7.6X10-7 atm-cu m/mole(SRC) using a fragment constant estimation method(1). This Henry's Law constant indicates that 4-methylquinoline is expected to be essentially nonvolatile from water surfaces(2). 4-Methylquinoline is not expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 6.4X10-3 mm Hg(3).
Literature: (1) Meylan WM, Howard PH; Environ Toxicol Chem 10: 1283-93 (1991) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (3) Walton J; Eng Sci Data Item 77019, p. 29 (1977)
Solubility
Slightly soluble in water
Literature: Lide, DR (ed.). CRC Handbook of Chemistry and Physics. 81st Edition. CRC Press LLC, Boca Raton: FL 2000, p. 3-308
Literature: #Soluble in ethanol, ether, and acetone.
Literature: Lide, DR (ed.). CRC Handbook of Chemistry and Physics. 81st Edition. CRC Press LLC, Boca Raton: FL 2000, p. 3-308
Literature: #Miscible with alcohol and benzene
Literature: O'Neil, M.J. (ed.). The Merck Index - An Encyclopedia of Chemicals, Drugs, and Biologicals. 13th Edition, Whitehouse Station, NJ: Merck and Co., Inc., 2001., p. 973
Literature: #Soluble in mineral acid; insoluble in alkali
Literature: Lide, D.R., G.W.A. Milne (eds.). Handbook of Data on Organic Compounds. Volume I. 3rd ed. CRC Press, Inc. Boca Raton ,FL. 1994., p. V5 4875
Literature: #In water, 783 mg/liter @ 25 deg C
Literature: Meylan WM et al; Environ Toxicol Chem 15: 100-106 (1996)
Soil Adsorption
The Koc of 4-methylquinoline is estimated as 630(SRC), using a log Kow of 2.61(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that 4-methylquinoline is expected to have low mobility in soil(SRC). The pKa of 4-methylquinoline is 5.67(4), indicating that this compound will partially exist in cation form in the environment and cations generally adsorb to organic carbon and clay more strongly than their neutral counterparts(5).
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. 68 (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) (4) Perrin DD; Dissociation constants of organic bases in aqueous solution. IUPAC Chem Data Ser, Buttersworth, London (1965) (5) Doucette WJ; pp. 141-188 in Handbook of Property Estimation Methods for Chemicals. Boethling RS, Mackay D, eds. Boca Raton, FL: Lewis Publ (2000)
Vapor Pressure
PressureReference
6.4X10-3 mm Hg @ 20 deg C /Extrapolated/Walton J; Eng Sci Data Item 77019, p. 29 (1977)

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaMyxobacterium Spp.n/aSchulz and Dickschat, 2007
BacteriaMyxococcus Xanthusn/aSchulz and Dickschat, 2007
BacteriaStigmatella Aurantiacan/aSchulz and Dickschat, 2007
BacteriaStigmatella Aurantiaca DW4/3-1n/aDickschat et al., 2005_5
BacteriaStreptomyces Caviscabiesn/aSchulz and Dickschat, 2007
BacteriaStreptomyces Sp. GWS-BW-H5.n/aSchulz and Dickschat, 2007
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaMyxobacterium Spp.n/an/a
BacteriaMyxococcus Xanthusn/an/a
BacteriaStigmatella Aurantiacan/an/a
BacteriaStigmatella Aurantiaca DW4/3-1n/an/a
BacteriaStreptomyces Caviscabiesn/an/a
BacteriaStreptomyces Sp. GWS-BW-H5.n/an/a


6,10,14-trimethylpentadecan-2-one

Mass-Spectra

Compound Details

Synonymous names
Hexahydrofarnesylacetone
Hexahydrofarnezylacetone
Hexahydrofarnesyl acetone
Perhydrofarnesyl acetone
WHWDWIHXSPCOKZ-UHFFFAOYSA-N
Fitone
AC1L1V4Z
AC1Q5H6P
CTK4J2356
OR13502
SCHEMBL716506
36116P
SBB012620
ST049442
LP023176
STK761211
KB-85744
AN-21434
CC-29299
MFCD00065420
C-25231
ZERO/001268
ZX-AT021772
AKOS016347358
AKOS001727037
W-109084
502-69-2
6,10,14-Trimethylpentadecan-2-one
6,10,14-TRIMETHYL-2-PENTADECANONE
6,10,14-Trimethylpentadeca-2-one
MCULE-5164481361
EINECS 207-950-7
13955-74-3
16825-16-4
6,10,14-trimethyl-pentadecane-2-one
2-Pentadecanone,6,10,14-trimethyl-
2-pentadecanone, 6,10,14-trimethyl
MolPort-001-758-493
2-Pentadecanone, 6,10,14-trimethyl-
IUPAC name6,10,14-trimethylpentadecan-2-one
SMILESCC(C)CCCC(C)CCCC(C)CCCC(=O)C
InchiInChI=1S/C18H36O/c1-15(2)9-6-10-16(3)11-7-12-17(4)13-8-14-18(5)19/h15-17H,6-14H2,1-5H3
FormulaC18H36O
PubChem ID10408
Molweight268.485
LogP6.56
Atoms55
Bonds54
H-bond Acceptor1
H-bond Donor0
Chemical ClassificationTerpenes Ketones

mVOC Specific Details


Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaPseudomonas Syringae S22naphyllosphere of field-grown potato plantsHunziker et al., 2015
BacteriaStigmatella Aurantiacan/aSchulz and Dickschat, 2007
BacteriaStigmatella Aurantiaca Sg A15n/aDickschat et al., 2005_5
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaPseudomonas Syringae S22LB mediumGC/MSYes
BacteriaStigmatella Aurantiacan/an/a
BacteriaStigmatella Aurantiaca Sg A15n/an/a


3-methylbutanoic Acid

Mass-Spectra

Compound Details

Synonymous names
Isovaleriansaeure
Isovalericacid
Isovalerianic
Isobutylformic acid
Isopropylacetic acid
isovalerate
Kyselina isovalerova
METHYLBUTANOIC ACID
GWYFCOCPABKNJV-UHFFFAOYSA-N
Isopentanoic acid
Isovalerianic acid
3-Methylbuttersaeure
b-Methylbutyrate
ISOVALERIC ACID
beta-Methylbutyric acid
Delphinic acid
NATURAL ISOVALERIC ACID
3-Methylbutyrate
b-Methylbutyric acid
Isobutyl formic acid
IVA
methyl butanoic acid
3-Methylbutyric
Isovaleric acid, analytical standard
3-Methylbutanoic acid
3-Methylbutyric acid|
iso-valeric acid
3-Methylbutyric acid
ACMC-1BMPI
Isopropyl Acetic Acid, natural
AC1L1V6N
iso-C4H9COOH
Kyselina isovalerova [Czech]
Methylbutanoic acid (Related)
3-methyl-butanoic acid
3,4-Diisovaleryl adrenaline
.beta.-Methylbutyric acid
3-methyl butyric acid
3-methyl-butyric acid
3-Methylbutyric acid: isopropyl-Acetate
AC1Q1P73
Isovaleric acid (natural)
KSC489M7P
S153
Acetic acid, isopropyl-
SCHEMBL43436
3-Methylbutyric acid: isopropyl-Acetic acid
CTK3I9677
HMDB00718
HSDB 629
3-methyl-n-butyric acid
CHEMBL568737
DB03750
Isovaleric acid, 99%
NSC62783
RP18769
STR08356
1BR7X184L5
bmse000373
C08262
ZINC388188
AK116943
BBL027399
BC677309
DTXSID5029182
LS-2386
OR025022
OR111348
OR376668
OR376669
STL146358
WLN: QV1Y1&1
CHEBI:28484
DSSTox_CID_9182
UNII-1BR7X184L5
AJ-20479
AN-21437
ANW-30978
Butanoic acid, 3-methyl-
DSSTox_GSID_29182
Isovaleric acid sodium salt (Salt/Mix)
KB-52997
NSC 62783
NSC-62783
SC-27287
TRA0072843
BB_NC-2309
Butyric acid, 3-methyl-
DSSTox_RID_78698
LMFA01020181
MFCD00002726
AI3-24132
FEMA Number: 3102
RTR-018005
ST24028594
TR-018005
AKOS000119861
J-522594
BRN 1098522
FEMA No. 3102
FT-0627533
I14-10601
Z955123492
Isovaleric acid, natural, >=98%, FG
Tox21_201604
503-74-2
F2191-0067
NA 1760 (Related)
Isovaleric acid, >=99%, FCC, FG
MCULE-5805071360
NCGC00249082-01
NCGC00259153-01
CAS-503-74-2
EINECS 207-975-3
35915-22-1
7050-EP2286915A2
7050-EP2287153A1
7050-EP2289892A1
7050-EP2292590A2
7050-EP2295417A1
7050-EP2301934A1
7050-EP2305656A1
7050-EP2305675A1
7050-EP2308509A1
7050-EP2308828A2
7050-EP2308848A1
7050-EP2308872A1
7050-EP2314585A1
7050-EP2316829A1
7050-EP2374791A1
MolPort-000-871-620
31567-EP2275401A1
31567-EP2277861A1
31567-EP2298763A1
31567-EP2308858A1
31567-EP2311816A1
31567-EP2311817A1
31567-EP2374790A1
66994-EP2298772A1
66994-EP2308839A1
Butanoic acid, 3-methyl-, (R)-
4-02-00-00895 (Beilstein Handbook Reference)
InChI=1/C5H10O2/c1-4(2)3-5(6)7/h4H,3H2,1-2H3,(H,6,7
IUPAC name3-methylbutanoic acid
SMILESCC(C)CC(=O)O
InchiInChI=1S/C5H10O2/c1-4(2)3-5(6)7/h4H,3H2,1-2H3,(H,6,7)
FormulaC5H10O2
PubChem ID10430
Molweight102.133
LogP1.21
Atoms17
Bonds16
H-bond Acceptor2
H-bond Donor1
Chemical ClassificationAcids carboxylic acids esters

mVOC Specific Details

Boiling Point
DegreeReference
176.5 °CPhysProp
176.5 DEG C @ 760 MM HGLide, D.R. (ed.). CRC Handbook of Chemistry and Physics. 76th ed. Boca Raton, FL: CRC Press Inc., 1995-1996., p. 3-98
Volatilization
The Henry's Law constant for isovaleric acid was measured as 8.33X10-7 atm-cu m/mole(1). This value indicates that isovaleric acid will volatilize slowly from water surfaces(2,SRC). Based on this Henry's Law constant, the estimated volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec) is estimated as approximately 45 days(2,SRC). The estimated volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec) is estimated as approximately 330 days(2,SRC). In addition, a pKa of 4.78 for isovaleric acid(3) indicates that isovaleric acid will not significantly volatilize from water as it will exist predominately in the ionic form under environmental pHs(SRC). Isovaleric acid's Henry's Law constant(1) indicates that volatilization from moist soil surfaces may occur(SRC). Isovaleric acid is not expected to volatilize from dry soil surfaces(SRC) based on a measured vapor pressure of 0.44 mm Hg(4).
Literature: (1) Khan I, Brimblecombe P; J Aerosol Sci 23: S897-S900 (1992) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington,DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (3) Leung HW, Paustenbach DJ; Am J Ind Med 18: 714-23 (1990) (4) Yaws CL; Handbook of Vapor Pressure, Vol 2 C5 to C7 Compounds, Houston,TX: Gulf Publ Co. p. 387 (1994)
Soil Adsorption
The Koc of isovaleric acid is estimated as approximately 100(SRC), using a measured log Kow of 1.16(1) and a regression-derived equation(2,SRC). According to a recommended classification scheme(3), this estimated Koc value suggests that isovaleric acid is expected to have high mobility in soil(SRC).
Literature: (1) Hansch C et al; Exploring QSAR. Hydrophobic, Electronic, and Steric Constants. ACS Prof Ref Book. Heller SR (consult ed) Washington, DC: Amer Chem Soc p. 14 (1995) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington DC: Amer Chem Soc pp. 4-9 (1990) (3) Swann RL et al; Res Rev 85: 23 (1983)
Vapor Pressure
PressureReference
0.44 mm Hg at 25 deg CYaws CL; Handbook of Vapor Pressure, Vol 2 C5 to C7 Compounds, Houston, TX: Gulf Publishing Co. p. 387 (1994)
MS-Links
1D-NMR-Links

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaKlebsiella Pneumoniaen/aJulak et al., 2003
BacteriaStaphylococcus Aureusn/aJulak et al., 2003
BacteriaStaphylococcus Aureusmilk of cowsHettinga et al 2010
BacteriaEscherichia Coli O157:H7China Center of Industrial culture Collection, China General Microbiological Culture Collection CenterChen et Al. 2016
BacteriaSerratia Spp. B2675n/aBruce et al., 2004
BacteriaSerratia Spp. B675n/aBruce et al., 2004
BacteriaStaphylococcus Aureus ATCC 6538China Center of Industrial culture Collection, China General Microbiological Culture Collection CenterChen et Al. 2016
FungiSaccharomyces Cerevisiae Y1001n/aBruce et al., 2004
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 Caribensis LMG 18531n/aBlom et al., 2011
BacteriaBurkholderia Caryophylli LMG 2155n/aBlom 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 Lata LMG 22485n/aBlom et al., 2011
BacteriaBurkholderia Pyrrocinia LMG 21822n/aBlom et al., 2011
BacteriaBurkholderia Xenovorans LMG 21463n/aBlom et al., 2011
BacteriaCellulomonas Udan/aBlom et al., 2011
BacteriaEscherichia Colin/aTait et al., 2014
BacteriaEscherichia Coli OP50n/aBlom et al., 2011
BacteriaKlebsiella Pneumoniaen/aTait et al., 2014
BacteriaLactobacillus Paracasei LSL 248nanaPogačić et al., 2016
BacteriaPseudomonas Chlororaphisn/aBlom et al., 2011
BacteriaSalinispora Tropica CNB-440namarine sedimentGroenhagen et al., 2016
BacteriaSerratia Plymuthica IC14n/aBlom et al., 2011
BacteriaStaphylococcus Aureusn/aTait et al., 2014
BacteriaStaphylococcus EpidermidisDSMZVerhulst et al. 2010
BacteriaStaphylococcus Sciuriattract Episyrphus balteatusfrom the gut flora of pea aphid Acyrthosiphon pisum honeydewLeroy et al., 2011
BacteriaStaphylococcus Xylosusn/aSchulz and Dickschat, 2007
BacteriaClostridium Difficileoutbreak 2006 UKRees et al 2016
BacteriaStigmatella Aurantiaca DW4/3-1n/aDickschat et al., 2005_5
BacteriaBacillus Amyloliquefaciens IN937an/aLee et al., 2012
BacteriaBacillus Subtilis GB03n/aLee et al., 2012
BacteriaCorynebacterium Striatum RV2clinical isolateLemfack et al. 2016
BacteriaCorynebacterium Striatum V6894clinical isolateLemfack et al. 2016
BacteriaPaenibacillus Polymyxa E681n/aLee et al., 2012
BacteriaStaphylococcus Epidermidis ATCC 12228Lemfack et al. 2016
BacteriaStaphylococcus Epidermidis ATCC 14990clinical isolate,noseLemfack et al. 2016
BacteriaStaphylococcus Epidermidis DSM 3269clinical isolate,catheterLemfack et al. 2016
BacteriaStaphylococcus Epidermidis RP62Aclinical isolate,catheterLemfack et al. 2016
BacteriaStaphylococcus Haemolyticus CCM 2729clinical isolate,human skinLemfack et al. 2016
BacteriaStaphylococcus Intermedius 9Sclinical isolateLemfack et al. 2016
BacteriaStaphylococcus Saccharolyticus B5709clinical isolateLemfack et al. 2016
BacteriaStaphylococcus Schleiferi DSMZ 4807clinical isolateLemfack et al. 2016
BacteriaStaphylococcus Schleiferi H34clinical isolateLemfack et al. 2016
BacteriaStaphylococcus Schleiferi V431clinical isolateLemfack et al. 2016
BacteriaStaphylococcus Sciuri ATCC 29061Southernflying squirrel skinLemfack et al. 2016
BacteriaStaphylococcus Sciuri H4286clinical isolateLemfack et al. 2016
BacteriaStaphylococcus Sciuri ORclinical isolateLemfack et al. 2016
BacteriaStaphylococcus Sciuri V405clinical isolateLemfack et al. 2016
BacteriaStaphylococcus Sciuri Yclinical isolateLemfack et al. 2016
BacteriaStaphylococcus Warneri CCM 2730clinical isolate,human skinLemfack et al. 2016
BacteriaStreptomycesJones et al. eLife 2017;6:e21738.
FungiAscocoryne Sarcoides NRRL 50072n/aMallette et al. 2012
BacteriaBacteroides FragilisReduction of heat resistant spores, prevention of spore formation of Salmonella typhimurium, Salmonella enteritidis, Escherichia coli, Pseudomonas aeroginosa, Clostridium perfringenes and Clostridium difficile.Hinton and Hume, 1995
BacteriaVeillonella Spp.Reduction of heat resistant spores, prevention of spore formation of Salmonella typhimurium, Salmonella enteritidis, Escherichia coli, Pseudomonas aeroginosa, Clostridium perfringenes and Clostridium difficile.Hinton and Hume, 1995
BacteriaActinomyces Europaeusclinical exudatesJulak et al. 2003
BacteriaActinomyces Naeslundiiclinical exudatesJulak et al. 2003
BacteriaAzospirillum Brasilense Cdpromotion of performance of Chlorella sorokiniana Shihculture collection DSMZ 1843Amavizca et al. 2017
BacteriaBacillus Pumilus ES4promotion of performance of Chlorella sorokiniana ShihAmavizca et al. 2017
BacteriaBacteroides Capillosusclinical exudatesJulak et al. 2003
BacteriaBacteroides Distasonisn/aWiggins et al., 1985
BacteriaBacteroides Fragilisclinical exudatesJulak et al. 2003
BacteriaBacteroides Ovatusn/aWiggins et al., 1985
BacteriaBacteroides Pyogenesclinical exudatesJulak et al. 2003
BacteriaBacteroides Thetaiotamicronn/aWiggins et al., 1985
BacteriaBacteroides Vulgatusn/aWiggins et al., 1985
BacteriaCapnocytophaga Ochracea ATCC 33596n/aKurita-Ochiai et al., 1995
BacteriaClostridium Bifermentansn/aWiggins et al., 1985
BacteriaClostridium Difficileclinical exudatesJulak et al. 2003
BacteriaClostridium Perfringensclinical exudatesJulak et al. 2003
BacteriaClostridium Ramosumclinical exudatesJulak et al. 2003
BacteriaClostridium Septicumclinical exudatesJulak et al. 2003
BacteriaClostridium Sp.n/aStotzky and Schenk, 1976
BacteriaClostridium Sporogenesn/aWiggins et al., 1985
BacteriaEubacterium Lentumclinical exudatesJulak et al. 2003
BacteriaFusobacterium NucleatumInhibition of proliferation and cytokine production in Lymphocyte cells.Kurita-Ochiai et al., 1995
BacteriaFusobacterium Simiaeclinical exudatesJulak et al. 2003
BacteriaLactobacillus Acidophilusclinical exudatesJulak et al. 2003
BacteriaPeptococcus Nigerclinical exudatesJulak et al. 2003
BacteriaPeptostreptococcus Anaerobicusclinical exudatesJulak et al. 2003
BacteriaPeptostreptococcus Asaccharolyticusclinical exudatesJulak et al. 2003
BacteriaPeptostreptococcus Prevotiiclinical exudatesJulak et al. 2003
BacteriaPorphyromonas GingivalisInhibition of proliferation and cytokine production in Lymphocyte cells.Kurita-Ochiai et al., 1995
BacteriaPorphyromonas Gingivalis FDC381n/aKurita-Ochiai et al., 1995
BacteriaPorphyromonas Gingivalis W83n/aKurita-Ochiai et al., 1995
BacteriaPrevotella Intermedia ATCC 25261n/aKurita-Ochiai et al., 1995
BacteriaPrevotella LoescheiiInhibition of proliferation and cytokine production in Lymphocyte cells.Kurita-Ochiai et al., 1995
BacteriaPrevotella Loescheii ATCC 15930n/aKurita-Ochiai et al., 1995
BacteriaPropionibacterium Acnesclinical exudatesJulak et al. 2003
BacteriaPropionibacterium Propionicumclinical exudatesJulak et al. 2003
BacteriaStaphylococcus Epidermidisclinical exudatesJulak et al. 2003
FungiAgaricus BisporusStimulation of spore germination of Agaricus bisporus.Stotzky and Schenk, 1976
FungiAspergillus Ustusnawater damaged buildings, BelgiumPolizzi et al., 2012
Fungi Muscodor AlbusEzra et al. 2005
FungiPenicillium Polonicumnawater damaged buildings, BelgiumPolizzi et al., 2012
Fungi Penicillium SppEzra et al. 2005
Fungi Polysporus SulfureusEzra et al. 2005
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaKlebsiella PneumoniaeVF (peptone, NaCl) and VL broth (casein hydrolysate, yeast extract, beef extract, cysteine, glucose, NaCl)HS-SPME/GC-MS
BacteriaStaphylococcus AureusVF (peptone, NaCl)HS-SPME/GC-MS
BacteriaStaphylococcus AureusGCMS DSQno
BacteriaEscherichia Coli O157:H7Trypticase Soy Broth (TSB)HS-SPME/'GC-MSno
BacteriaSerratia Spp. B2675n/an/a
BacteriaSerratia Spp. B675n/an/a
BacteriaStaphylococcus Aureus ATCC 6538Trypticase Soy Broth (TSB)HS-SPME/'GC-MSno
FungiSaccharomyces Cerevisiae Y1001n/an/a
BacteriaBurkholderia Andropogonis LMG 2129MR-VP, MS and AngleHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Anthina LMG 20980MR-VP, MS and AngleHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Caledonica LMG 19076MR-VP, MS and AngleHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Caribensis LMG 18531MR-VP, MS and AngleHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Caryophylli LMG 2155MR-VP, MS and AngleHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Fungorum LMG 16225MR-VP, MS and AngleHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Gladioli LMG 2216MS and AngleHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Glathei LMG 14190MR-VP, MS and AngleHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Glumae LMG 2196MR-VP, MS and AngleHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Graminis LMG 18924MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Lata LMG 22485MR-VP, MS and AngleHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Pyrrocinia LMG 21822MR-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 21463AngleHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaCellulomonas UdaMR-VP and MS Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaEscherichia ColiBHI Broth/ TS Broth/Glucose EF base brothGC-MS /Polar GC Column
BacteriaEscherichia Coli OP50MR-VP, MS and AngleHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaKlebsiella PneumoniaeBHI Broth/ TS Broth/Glucose EF base brothGC-MS /Polar GC Column
BacteriaLactobacillus Paracasei LSL 248curd-based broth mediumGC/MSYes
BacteriaPseudomonas ChlororaphisMS and AngleHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaSalinispora Tropica CNB-440seawater-based A1GC/MS
BacteriaSerratia Plymuthica IC14MR-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 GC Column
BacteriaStaphylococcus EpidermidisCLSA, charcoal, GC-MSno
BacteriaStaphylococcus Sciuri873 liquid mediumSPME-GC/MS
BacteriaStaphylococcus Xylosusn/an/a
BacteriaClostridium Difficilebrain heart infusionGCxGC-TOF-MSyes
BacteriaStigmatella Aurantiaca DW4/3-1n/an/a
BacteriaBacillus Amyloliquefaciens IN937aTryptic soy agarSPME coupled with GC-MS
BacteriaBacillus Subtilis GB03Tryptic soy agarSPME coupled with GC-MS
BacteriaCorynebacterium Striatum RV2brain heart infusion mediumPorapak / GC/MSno
BacteriaCorynebacterium Striatum V6894brain heart infusion mediumPorapak / GC/MSno
BacteriaPaenibacillus Polymyxa E681Tryptic soy agarSPME coupled with GC-MS
BacteriaStaphylococcus Epidermidis ATCC 12228brain heart infusion mediumPorapak / GC/MSno
BacteriaStaphylococcus Epidermidis ATCC 14990brain heart infusion mediumPorapak / GC/MSno
BacteriaStaphylococcus Epidermidis DSM 3269brain heart infusion mediumPorapak / GC/MSno
BacteriaStaphylococcus Epidermidis RP62Abrain heart infusion mediumPorapak / GC/MSno
BacteriaStaphylococcus Haemolyticus CCM 2729brain heart infusion mediumPorapak / GC/MSno
BacteriaStaphylococcus Intermedius 9Sbrain heart infusion mediumPorapak / GC/MSno
BacteriaStaphylococcus Saccharolyticus B5709brain heart infusion mediumPorapak / GC/MSno
BacteriaStaphylococcus Schleiferi DSMZ 4807brain heart infusion mediumPorapak / GC/MSno
BacteriaStaphylococcus Schleiferi H34brain heart infusion mediumPorapak / GC/MSno
BacteriaStaphylococcus Schleiferi V431brain heart infusion mediumPorapak / GC/MSno
BacteriaStaphylococcus Sciuri ATCC 29061brain heart infusion mediumPorapak / GC/MSno
BacteriaStaphylococcus Sciuri H4286brain heart infusion mediumPorapak / GC/MSno
BacteriaStaphylococcus Sciuri ORbrain heart infusion mediumPorapak / GC/MSno
BacteriaStaphylococcus Sciuri V405brain heart infusion mediumPorapak / GC/MSno
BacteriaStaphylococcus Sciuri Ybrain heart infusion mediumPorapak / GC/MSno
BacteriaStaphylococcus Warneri CCM 2730brain heart infusion mediumPorapak / GC/MSno
BacteriaStreptomycesYPD agarGCxGC-TOFMSno
FungiAscocoryne Sarcoides NRRL 50072Minimal mediumPTR-MS and SPME GC-MS
BacteriaBacteroides Fragilisn/an/a
BacteriaVeillonella Spp.n/an/a
BacteriaActinomyces Europaeuspeptone/casein hydrolysate, yeast extract, beef extract, glucoseGC-FID FSOT NUKOLyes
BacteriaActinomyces Naeslundiipeptone/casein hydrolysate, yeast extract, beef extract, glucoseGC-FID FSOT NUKOLyes
BacteriaAzospirillum Brasilense CdTSASPME-GCno
BacteriaBacillus Pumilus ES4TSASPME-GCno
BacteriaBacteroides Capillosuspeptone/casein hydrolysate, yeast extract, beef extract, glucoseGC-FID FSOT NUKOLyes
BacteriaBacteroides Distasonisn/an/a
BacteriaBacteroides Fragilispeptone/casein hydrolysate, yeast extract, beef extract, glucoseGC-FID FSOT NUKOLyes
BacteriaBacteroides Ovatusn/an/a
BacteriaBacteroides Pyogenespeptone/casein hydrolysate, yeast extract, beef extract, glucoseGC-FID FSOT NUKOLyes
BacteriaBacteroides Thetaiotamicronn/an/a
BacteriaBacteroides Vulgatusn/an/a
BacteriaCapnocytophaga Ochracea ATCC 33596n/an/a
BacteriaClostridium Bifermentansn/an/a
BacteriaClostridium Difficilepeptone/casein hydrolysate, yeast extract, beef extract, glucoseGC-FID FSOT NUKOLyes
BacteriaClostridium Perfringenspeptone/casein hydrolysate, yeast extract, beef extract, glucoseGC-FID FSOT NUKOLyes
BacteriaClostridium Ramosumpeptone/casein hydrolysate, yeast extract, beef extract, glucoseGC-FID FSOT NUKOLyes
BacteriaClostridium Septicumpeptone/casein hydrolysate, yeast extract, beef extract, glucoseGC-FID FSOT NUKOLyes
BacteriaClostridium Sp.n/an/a
BacteriaClostridium Sporogenesn/an/a
BacteriaEubacterium Lentumpeptone/casein hydrolysate, yeast extract, beef extract, glucoseGC-FID FSOT NUKOLyes
BacteriaFusobacterium Nucleatumn/an/a
BacteriaFusobacterium Simiaepeptone/casein hydrolysate, yeast extract, beef extract, glucoseGC-FID FSOT NUKOLyes
BacteriaLactobacillus Acidophiluspeptone/casein hydrolysate, yeast extract, beef extract, glucoseGC-FID FSOT NUKOLyes
BacteriaPeptococcus Nigerpeptone/casein hydrolysate, yeast extract, beef extract, glucoseGC-FID FSOT NUKOLyes
BacteriaPeptostreptococcus Anaerobicuspeptone/casein hydrolysate, yeast extract, beef extract, glucoseGC-FID FSOT NUKOLyes
BacteriaPeptostreptococcus Asaccharolyticuspeptone/casein hydrolysate, yeast extract, beef extract, glucoseGC-FID FSOT NUKOLyes
BacteriaPeptostreptococcus Prevotiipeptone/casein hydrolysate, yeast extract, beef extract, glucoseGC-FID FSOT NUKOLyes
BacteriaPorphyromonas Gingivalisn/an/a
BacteriaPorphyromonas Gingivalis FDC381n/an/a
BacteriaPorphyromonas Gingivalis W83n/an/a
BacteriaPrevotella Intermedia ATCC 25261n/an/a
BacteriaPrevotella Loescheiin/an/a
BacteriaPrevotella Loescheii ATCC 15930n/an/a
BacteriaPropionibacterium Acnespeptone/casein hydrolysate, yeast extract, beef extract, glucoseGC-FID FSOT NUKOLyes
BacteriaPropionibacterium Propionicumpeptone/casein hydrolysate, yeast extract, beef extract, glucoseGC-FID FSOT NUKOLyes
BacteriaStaphylococcus Epidermidispeptone/casein hydrolysate, yeast extract, beef extract, glucoseGC-FID FSOT NUKOLyes
FungiAgaricus Bisporusn/an/a
FungiAspergillus Ustusmalt extract agar; potato dextrose agar; water agar; yeast extract agar; Czapek agarSPME-GC/MSNo
Fungi Muscodor Albusno
FungiPenicillium Polonicummalt extract agar; potato dextrose agar; water agar; yeast extract agar; Czapek agarSPME-GC/MSNo
Fungi Penicillium Sppno
Fungi Polysporus Sulfureusno


Nonadecan-10-one

Mass-Spectra

Compound Details

Synonymous names
YUPOCHDBBHTUBJ-UHFFFAOYSA-N
Caprinone
Dinonyl ketone
10-NONADECANONE
AC1L1V7E
Di-n-nonyl ketone
nonadecan-10-one
NSC1773
ACMC-209kms
N0658
CTK1H3287
NE24857
SCHEMBL168850
NSC 1773
NSC-1773
STL146347
DTXSID7060126
LP001796
BBL027761
ANW-31010
MFCD00009584
BB_NC-2229
ZINC70454152
TC-119755
DB-051779
AI3-05050
AKOS005721104
FT-0607195
I14-57156
504-57-4
MCULE-1091485507
EINECS 207-994-7
MolPort-001-787-657
IUPAC namenonadecan-10-one
SMILESCCCCCCCCCC(=O)CCCCCCCCC
InchiInChI=1S/C19H38O/c1-3-5-7-9-11-13-15-17-19(20)18-16-14-12-10-8-6-4-2/h3-18H2,1-2H3
FormulaC19H38O
PubChem ID10441
Molweight282.512
LogP7.73
Atoms58
Bonds57
H-bond Acceptor1
H-bond Donor0
Chemical ClassificationKetones

mVOC Specific Details


Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaStigmatella Aurantiacan/aSchulz and Dickschat, 2007
BacteriaStigmatella Aurantiaca Sg A15n/aDickschat et al., 2005_5
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaStigmatella Aurantiacan/an/a
BacteriaStigmatella Aurantiaca Sg A15n/an/a


4-methyl-1-propan-2-ylcyclohex-3-en-1-ol

Mass-Spectra

Compound Details

Synonymous names
Melaleucol
WRYLYDPHFGVWKC-UHFFFAOYSA-N
4-Carvomenthenol
Terpinenolu-4
Terpinenol-4
AC1Q2ODY
AC1L1WWJ
4-Terpinenol
Terpineol-4
4-Terpineol
L-4-terpineneol
dl-4-Terpineol
TERPINENE-4-OL
Terpinen-4-ol
L-4-terpineol
S145
Terpinen 4-ol, primary pharmaceutical reference standard
Terpin-4-ol
Terpene-4-ol
alpha-terpinen-4-ol
SCHEMBL22344
rac Terpinen-4-ol
CTK3J7764
M0319
4-Carvomenthenol (natural)
CHEMBL507795
L-terpinen-4-ol
HSDB 8264
CCRIS 9067
Terpinenolu-4 [Czech]
C17073
NSC147749
1-Terpinen-4-ol
OR040948
OR114584
1-Menthene-4-ol
DTXSID4044824
SBB071495
LS-2615
ST096089
CHEBI:78884
DSSTox_GSID_44824
AN-23698
SC-46918
DSSTox_RID_80505
1-para-Menthen-4-ol
DSSTox_CID_24824
MFCD00001562
NSC 147749
NSC-147749
RTR-019770
Terpin-4-en-1-ol
TR-019770
1-p-Menthen-4-ol
AKOS015903412
FT-0619472
FEMA No. 2248
BRN 1906603
I14-19182
para-Menth-1-en-4-ol
p-Menth-1-en-4-ol
Tox21_301785
562-74-3
4-Carvomenthenol, natural, >=95%, FG
MCULE-6511194668
1336-05-6
NCGC00256250-01
EINECS 209-235-5
4-Carvomenthenol, >=95%, FCC, FG
4-Methyl-1-isopropyl-3-cyclohexen-1-ol
1-isopropyl-4-methylcyclohex-3-en-1-ol
1-Methyl-4-isopropyl-1-cyclohexen-4-ol
CAS-562-74-3
EINECS 248-910-9
28219-82-1
(+/-)-4-Terpineol
1-isopropyl-4-methyl-cyclohex-3-en-1-ol
MolPort-003-959-981
4-methyl-1-(methylethyl)cyclohex-3-en-1-ol
4-methyl-1-propan-2-ylcyclohex-3-en-1-ol
(-)-p-Menth-1-en-4-ol
4-Methyl-1-(1-methylethyl)-3-cyclohexen-1-ol
1-(1-Methylethyl)-4-methyl-3-cyclohexen-1-ol
(-)-4-Hydroxy-4-isopropyl-1-methyl-1-cyclohexene
4-06-00-00250 (Beilstein Handbook Reference)
(+-)-p-Menth-1-en-4-ol
(-)-1-Isopropyl-4-methyl-3-cyclohexen-1-ol
4-Methyl-1-(propan-2-yl)cyclohex-3-en-1-ol
1-Isopropyl-4-methyl-3-cyclohexen-1-ol, (R)-
(+/-)-p-Menth-1-en-4-ol
3-CYCLOHEXEN-1-OL; 4-METHYL-1-(1-METHYLETHYL)-
3-Cyclohexen-1-ol, 4-methyl-1-(1-methylethyl)-
(+/-)-4-Hydroxy-4-isopropyl-1-methyl-1-cyclohexene
(1)-1-(Isopropyl)-4-methylcyclohex-3-en-1-ol
(+/-)-1-Isopropyl-4-methyl-3-cyclohexen-1-ol
IUPAC name4-methyl-1-propan-2-ylcyclohex-3-en-1-ol
SMILESCC1=CCC(CC1)(C(C)C)O
InchiInChI=1S/C10H18O/c1-8(2)10(11)6-4-9(3)5-7-10/h4,8,11H,5-7H2,1-3H3
FormulaC10H18O
PubChem ID11230
Molweight154.253
LogP2.33
Atoms29
Bonds29
H-bond Acceptor1
H-bond Donor1
Chemical ClassificationTerpenes Alcohols Alkenes

mVOC Specific Details

Boiling Point
DegreeReference
209 deg CLide, D.R., G.W.A. Milne (eds.). Handbook of Data on Organic Compounds. Volume I. 3rd ed. CRC Press, Inc. Boca Raton ,FL. 1994., p. V3: 2311
Volatilization
The Henry's Law constant for 4-terpineol is estimated as 3.2X10-6 atm-cu m/mole(SRC) using a fragment constant estimation method(1). This Henry's Law constant indicates that 4-terpineol 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 15 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 110 days(SRC). 4-Terpineol's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). 4-Terpineol is not expected to volatilize from dry soil surfaces(SRC) based upon an estimated vapor pressure of 0.04 mm Hg(SRC), determined from a fragment constant method(1).
Literature: (1) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.1. Nov, 2012. Available from, as of July 22, 2015: http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990)
Solubility
In water, 3.87X10+2 mg/L at 25 deg C (est)
Literature: US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.1. Nov, 2012. Available from, as of July 22, 2015: http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm
Soil Adsorption
Using a structure estimation method based on molecular connectivity indices(1), the Koc of 4-terpineol can be estimated to be 80(SRC). According to a classification scheme(2), this estimated Koc value suggests that 4-terpineol is expected to have high mobility in soil.
Literature: (1) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.1. Nov, 2012. Available from, as of July 22, 2015: http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm (2) Swann RL et al; Res Rev 85: 17-28 (1983)
Vapor Pressure
PressureReference
0.04 mm Hg at 25 deg C (est)US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.1. Nov, 2012. Available from, as of July 22, 2015: http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm
MS-Links
1D-NMR-Links

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
FungiAntrodia Cinnamomea ATCC 200183nanaLu et al., 2014
BacteriaStigmatella Aurantiaca DW4/3-1n/aDickschat et al., 2005_5
BacteriaCytophaga-Flavobacterium-Bacteroides Group Strain ARK 10063n/aDickschat et al., 2005_3
BacteriaCytophaga-Flavobacterium-Bacteroides Group Strain ARK 10267n/aDickschat et al., 2005_3
FungiGanoderma Lucidumnasaprophytic on deciduous treesZiegenbein et al., 2006
Method


Butyl Propanoate

Mass-Spectra

Compound Details

Synonymous names
Butylpropionate
BTMVHUNTONAYDX-UHFFFAOYSA-N
Butyl propionate
Butyl propanoate
propionic acid butyl
Butyl propionate, analytical standard
N-BUTYL PROPIONATE
n-Butyl propanoate
Propionic Acid Butyl Ester
propanoic acid butyl ester
Propanoic acid, butylester
n-Butyl n-propionate
AC1L1XK1
Butyl ester of propanoic acid
Propionic acid, butyl ester
ACMC-1B1JS
2NXC4AK99E
Propanoic acid, butyl ester
Butyl propionate (natural)
KSC609E0F
SCHEMBL26794
8769AB
UN1914
UNII-2NXC4AK99E
NSC8449
Butyl propionate, 99%
P0502
CTK5A9202
AK114441
CHEMBL3561586
NSC-8449
LS-2607
LP002941
NSC 8449
DTXSID5027223
SBB060578
UN 1914
ZINC1586746
A832103
CHEBI:89831
DSSTox_CID_7223
CJ-05543
AJ-27582
AN-21524
ANW-33111
CJ-25298
DSSTox_GSID_27223
KB-48511
MFCD00009448
Butyl propionate, >=98%, FG
DSSTox_RID_78356
ZINC01586746
ST51046733
RTR-020469
AI3-24352
ST24030230
I14-2574
AKOS015907872
FEMA No. 2211
FT-0623319
FT-0623318
BRN 1700932
Tox21_201691
590-01-2
NCGC00259240-01
NCGC00249097-01
MCULE-4622389592
EINECS 209-669-5
CAS-590-01-2
Butyl propionate [UN1914] [Flammable liquid]
Butyl propionate [UN1914] [Flammable liquid]
4-02-00-00708 (Beilstein Handbook Reference)
InChI=1/C7H14O2/c1-3-5-6-9-7(8)4-2/h3-6H2,1-2H
IUPAC namebutyl propanoate
SMILESCCCCOC(=O)CC
InchiInChI=1S/C7H14O2/c1-3-5-6-9-7(8)4-2/h3-6H2,1-2H3
FormulaC2H5COOC4H9
PubChem ID11529
Molweight130.187
LogP1.95
Atoms23
Bonds22
H-bond Acceptor1
H-bond Donor0
Chemical ClassificationEsters

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaMyxobacterium Spp.n/aSchulz and Dickschat, 2007
BacteriaStigmatella Aurantiaca DW4/3-1n/aDickschat et al., 2005_5
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaMyxobacterium Spp.n/an/a
BacteriaStigmatella Aurantiaca DW4/3-1n/an/a


2-methyl-2H-furan-5-one

Mass-Spectra

Compound Details

Synonymous names
beta-angelicalactone
beta-Angelicalacton
BGLUXFNVVSVEET-UHFFFAOYSA-N
gamma-Methyl-alpha,beta-crotonolactone
beta-Angelica lactone
delta1-Angelica lactone
alpha,beta-Angelica lactone
AC1L1XLY
ACMC-20lwfv
NSC655
.beta.-Angelica lactone
delta(sup1)-Angelica lactone
CHEMBL47969
Y1591
CTK2H9876
Delta(1)-angelica lactone
.DELTA.1-Angelica lactone
NSC11835
NSC-655
NSC 655
5-Methylfuran-2-one
CCRIS 2925
HE357210
2-Penten-4-olide
delta(sup 1)-Angelica lactone
HE027575
HE151996
4-Hydroxypent-2-enoic acid lactone
4-Hydroxy-2-pentenoic acid gamma-lactone
CHEBI:36436
LS-70504
NSC-11835
KB-269956
LS-190731
.delta.(sup1)-Angelica lactone
AI3-61052
WLN: T5OV EHJ E1
4-Hydroxy-2-pentenoic acid, gamma-lactone
.alpha.,.beta.-Angelica lactone
AKOS006278741
BRN 0108058
2-Pentenoic acid, .gamma.-lactone
4-Methyl-2-buten-4-olide
2-methyl-2H-furan-5-one
5-Methyl-2(5H)-furanone
5-Methyl-5H-furan-2-one
5-Methylfuran-2(5H)-one
591-11-7
4-Hydroxy-2-pentenoic acid .gamma.-lactone
5-methyl-2,5-dihydrofuran-2-one
2(5H)-Furanone, 5-methyl
.gamma.-Methyl-.alpha.,.beta.-crotonolactone
EINECS 209-700-2
EINECS 215-586-5
5-methylfuran-2(5H)-one, dimer
70428-45-4
92694-51-4
17300-24-2
2-Pentenoic acid, 4-hydroxy-, gamma-lactone
2-Pentenoic acid, -.gamma.-lactone, dimer
2(5H)-FURANONE, 5-METHYL-
MolPort-006-111-971
.gamma.-Methyl-.DELTA..alpha.,.beta.-butenolide
2-Pentenoic acid, 4-hydroxy-, .gamma.-lactone
.gamma.-Methyl-.delta.,.alpha.,.beta.-butenolide
5-17-09-00121 (Beilstein Handbook Reference)
(+-)-5-Methyl-2(5H)-furanone
2-Pentanoic acid, 4-hydroxy-, gamma-lactone (6CI,7CI)
.beta.(.alpha.,.beta. or .delta.1)-Angelica lactone
2(5H)-Furanone, 5-methyl-, (+-)-
IUPAC name2-methyl-2H-furan-5-one
SMILESCC1C=CC(=O)O1
InchiInChI=1S/C5H6O2/c1-4-2-3-5(6)7-4/h2-4H,1H3
FormulaC5H6O2
PubChem ID11558
Molweight98.101
LogP0.95
Atoms13
Bonds13
H-bond Acceptor1
H-bond Donor0
Chemical ClassificationLactone Alkenes lactones heterocyclic compounds esters

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaStigmatella Aurantiaca DW4/3-1n/aDickschat et al., 2005_5
BacteriaStigmatella Aurantiaca Sg A15n/aDickschat et al., 2005_5
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaStigmatella Aurantiaca DW4/3-1n/an/a
BacteriaStigmatella Aurantiaca Sg A15n/an/a


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


Pentadecan-1-ol

Mass-Spectra

Compound Details

Synonymous names
Pentadecanol
Pentadecyl alcohol
REIUXOLGHVXAEO-UHFFFAOYSA-N
n-pPentadecanol
n-Pentadecanol
n-pentadecyl alcohol
1-PENTADECANOL
AC1L1ZIC
Neodol 5
n-1-Pentadecanol
pentadecan-1-ol
UNII-2C8M6XLB5C component REIUXOLGHVXAEO-UHFFFAOYSA-N
SCHEMBL29548
6305AF
ACMC-1CK30
CHEMBL26561
C15H32O
pentadecan-1-ol;
HMDB13299
P0036
CTK1C3820
Pentadecanol-(1)
333QVA4G2Q
UNII-135SF8G7FQ component REIUXOLGHVXAEO-UHFFFAOYSA-N
NSC66446
NE10352
UNII-333QVA4G2Q
AK126490
LP084973
DTXSID0027270
STL453722
CHEBI:77468
DSSTox_CID_7270
1-Pentadecanol, 99%
TL8004341
BP-30139
NSC 66446
ST2419772
NSC-66446
EBD2204704
DSSTox_GSID_27270
TRA0077159
ANW-34487
ZINC38141455
MFCD00004759
LMFA05000194
DSSTox_RID_78381
TR-021678
RTR-021678
KB-259209
AI3-33881
CS-W004295
AKOS009031435
FT-0608196
I14-19383
Tox21_300553
Tox21_201699
629-76-5
(C12-C18)-Alkyl alcohol
NCGC00259248-01
NCGC00254478-01
NCGC00164169-01
NCGC00164169-02
NCGC00164169-03
CAS-629-76-5
EINECS 267-006-5
EINECS 211-107-9
39433-03-9
31389-11-4
39387-31-0
39457-30-2
60650-33-1
63393-83-9
1-pentadecanol (ACD/Name 4.0)
MolPort-003-932-224
1991DA79-7140-48B0-9F03-1E3D88AC4F28
InChI=1/C15H32O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16/h16H,2-15H2,1H
IUPAC namepentadecan-1-ol
SMILESCCCCCCCCCCCCCCCO
InchiInChI=1S/C15H32O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16/h16H,2-15H2,1H3
FormulaC15H32O
PubChem ID12397
Molweight228.42
LogP5.7
Atoms48
Bonds47
H-bond Acceptor1
H-bond Donor1
Chemical ClassificationAlcohols

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaStigmatella Aurantiaca Sg A15n/aDickschat et al., 2005_5
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaStigmatella Aurantiaca Sg A15n/an/a


Methyl 3-methylbut-2-enoate

Mass-Spectra

Compound Details

Synonymous names
dimethylacrylicacidmethylester
methylsenecioate
Methyl senecioate
FZIBCCGGICGWBP-UHFFFAOYSA-N
Methyl 3-methylcrotonate
3-methyl-2-butenoicacimethylester
3-Methylcrotonic acid methyl ester
Methyl .beta.-methylcrotonate
methyl,3,3-dimethylacrylate
METHYL-3,3-DIMETHYLACRYLATE
Methyl 3,3-dimethylacrylate
K687
KSC487M0J
AC1L21Y9
Methyl 3,3-dimethacrylate
ACMC-209rfu
M2052
CTK3I7604
NE10999
SCHEMBL273328
CHEMBL299017
methyl-3,3-dimethyl acrylate
3,3-Dimethylacrylic Acid Methyl Ester
RP19131
methyl 3-methylbut-2-enoate
Methyl 3-methyl-2-butenoate
2-butenoicacid,3-methyl-,methylester
ZINC388580
OR161800
OR000372
3,3-Dimethyl-acrylic methyl ester
ZB011608
DTXSID1061283
ANW-39832
SC-26810
3,3-DIMETHYL ACRYLIC ACID METHYL ESTER
AN-47979
CJ-03305
Methyl 3-methylbut-2-enoate #
TRA0079254
KB-54018
BB_NC-2312
ZINC00388580
3-methylbut-2-enoic acid methyl ester
MFCD00043940
KB-114343
RTR-029008
TR-029008
DB-057304
ghl.PD_Mitscher_leg0.193
AKOS015851424
Q-201373
I14-2040
FT-0628838
3-Methyl-2-butenoic acid, methyl ester
3-Methyl-but-2-enoic acid methyl ester
EN300-73098
924-50-5
Crotonic acid, 3-methyl-, methyl ester
Methyl 3-methyl-2-butenoate, 97%
EINECS 213-107-4
2-Butenoic acid, 3-methyl-, methyl ester
MolPort-001-770-057
InChI=1/C6H10O2/c1-5(2)4-6(7)8-3/h4H,1-3H
IUPAC namemethyl 3-methylbut-2-enoate
SMILESCC(=CC(=O)OC)C
InchiInChI=1S/C6H10O2/c1-5(2)4-6(7)8-3/h4H,1-3H3
FormulaC6H10O2
PubChem ID13546
Molweight114.144
LogP1.54
Atoms18
Bonds17
H-bond Acceptor1
H-bond Donor0
Chemical ClassificationEsters Alkenes

mVOC Specific Details


Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaStigmatella Sp.n/aSchulz and Dickschat, 2007
BacteriaStigmatella Aurantiaca Sg A15n/aDickschat et al., 2005_5
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaStigmatella Sp.n/an/a
BacteriaStigmatella Aurantiaca Sg A15n/an/a


1-(furan-2-yl)ethanone

Mass-Spectra

Compound Details

Synonymous names
Acetylfuran
IEMMBWWQXVXBEU-UHFFFAOYSA-N
2-acetylfurane
2-Furylethanone
Furyl methyl ketone
2-Acetylfuran
AC1Q1JXY
AC1L23YX
ACMC-1BPS0
PubChem6939
2-Acetyl furan
I896
KSC175C9R
Methyl 2-furyl ketone
2-Furyl methyl ketone
SCHEMBL43960
NSC4665
CTK0H5198
A0091
2-Aminomethyl-azetidine-1-carboxylic acid tert-butylester
1-Furan-2-ylmethanone
Q5ZRP80K02
NSC49133
2-Furyl methyl ketone, analytical standard
STR05504
AM91073
RP18952
ZINC157401
CCRIS 3161
Ketone, 2-furyl methyl
UNII-Q5ZRP80K02
NSC 4665
NSC-4665
PS-4586
SBB040248
HE110254
HE017372
STK400329
ZB006673
DTXSID0051601
BBL027427
CHEBI:59983
A804234
AJ-15008
NSC-49133
NSC 49133
1-Furan-2-yl-ethanone
LS-87211
KB-12200
SC-00529
AB1001236
AC-11853
ST2415091
AK-53418
Furan, 2-acetyl-
ANW-17304
AN-20640
TRA0078485
CJ-01650
1-(2-FURANYL)ETHANONE
1-(2-Furyl)ethanone
BB_SC-6820
2-Furyl methyl ketone (natural)
MFCD00003242
ZINC00157401
DB-003253
RTR-003241
AI3-23586
TR-003241
ST50213408
AKOS000119584
Epitope ID:136039
I14-0303
Q-100089
1-(2-Furyl)ethanone #
1-(furan-2-yl)ethanone
1-(2-Furanyl)-ethanone
2-Furyl methyl ketone, 99%
BRN 0107909
(2-furanyl)-1-ethanone
FEMA No. 3163
FT-0610977
I14-22249
Ethanone, 1-(furanyl)-
F0001-0316
1-(furan-2-yl)-ethanone
MCULE-6389695813
1192-62-7
EINECS 214-757-1
2-Furyl methyl ketone, >=99%, FG
80145-44-4
Ethanone, 1-(2-furanyl)-
1-(2-Furanyl)ethanone; 2-Furyl methyl ketone
1-(Furan-2-yl)ethan-1-one
MolPort-000-871-221
2-Furyl methyl ketone, natural (US), >=97%, FG
5-17-09-00381 (Beilstein Handbook Reference)
2-Furyl methyl ketone, purum, >=99.0% (GC)
InChI=1/C6H6O2/c1-5(7)6-3-2-4-8-6/h2-4H,1H
IUPAC name1-(furan-2-yl)ethanone
SMILESCC(=O)C1=CC=CO1
InchiInChI=1S/C6H6O2/c1-5(7)6-3-2-4-8-6/h2-4H,1H3
FormulaC6H6O2
PubChem ID14505
Molweight110.112
LogP0.59
Atoms14
Bonds14
H-bond Acceptor1
H-bond Donor0
Chemical ClassificationFuran Ketones furans ethers

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
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
BacteriaMyxobacterium Spp.n/aSchulz and Dickschat, 2007
BacteriaOctadecabacter Sp. ARK10255bn/aDickschat et al., 2005_3
BacteriaPseudomonas Chlororaphis R47narhizosphere of field-grown potato plantsHunziker et al., 2015
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 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
BacteriaStigmatella Aurantiaca DW4/3-1n/aDickschat et al., 2005_5
BacteriaStigmatella Aurantiaca Sg A15n/aDickschat et al., 2005_5
BacteriaStreptomyces Citreusn/aSchulz and Dickschat, 2007
BacteriaStreptomyces Sp. GWS-BW-H5.n/aDickschat et al., 2005_2
Fungi Dickschat et al. 2011
BacteriaPseudomonas Flureorescens SBW25Cheng et al. 2016
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
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
BacteriaMyxobacterium Spp.n/an/a
BacteriaOctadecabacter Sp. ARK10255bn/an/a
BacteriaPseudomonas Chlororaphis R47LB mediumGC/MSYes
BacteriaPseudomonas Fluorescens R76LB mediumGC/MSYes
BacteriaPseudomonas Frederiksbergensis S04LB mediumGC/MSYes
BacteriaPseudomonas Frederiksbergensis S24LB mediumGC/MSYes
BacteriaPseudomonas Jessenii S34LB mediumGC/MSYes
BacteriaPseudomonas Syringae S22LB mediumGC/MSYes
BacteriaPseudomonas Veronii R02LB mediumGC/MSYes
BacteriaPseudomonas Vranovensis R01LB mediumGC/MSYes
BacteriaStigmatella Aurantiaca DW4/3-1n/an/a
BacteriaStigmatella Aurantiaca Sg A15n/an/a
BacteriaStreptomyces Citreusn/an/a
BacteriaStreptomyces Sp. GWS-BW-H5.n/an/a
Fungi no
BacteriaPseudomonas Flureorescens SBW25Kings B + rif,+kann; PDA GC-Q-TOF-MSno


Dodecan-3-one

Mass-Spectra

Compound Details

Synonymous names
PERIHWAPLOBAJM-UHFFFAOYSA-N
Ethyl nonyl ketone
3-DODECANONE
3-Dodecanone, AldrichCPR
AC1L25FZ
ACMC-1BT3T
Dodecan-3-one
6039AF
CTK0H6947
SCHEMBL811181
Dodecanone-(3)
NSC158522
LP002470
ZINC1606044
DTXSID00165320
KB-31560
ANW-21445
AN-49403
LMFA12000164
C-52540
MFCD00015304
NSC-158522
TC-110190
AKOS009158629
FT-0615615
I14-60111
1534-27-6
EINECS 216-254-2
IUPAC namedodecan-3-one
SMILESCCCCCCCCCC(=O)CC
InchiInChI=1S/C12H24O/c1-3-5-6-7-8-9-10-11-12(13)4-2/h3-11H2,1-2H3
FormulaC12H24O
PubChem ID15229
Molweight184.323
LogP4.62
Atoms37
Bonds36
H-bond Acceptor1
H-bond Donor0
Chemical ClassificationKetones

mVOC Specific Details


Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
FungiFomitopsis PinicolanaGermanyRösecke et al., 2000
BacteriaStigmatella Aurantiacan/aSchulz and Dickschat, 2007
BacteriaStigmatella Aurantiaca DW4/3-1n/aDickschat et al., 2005_5
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
FungiFomitopsis PinicolanaGC/MSNo
BacteriaStigmatella Aurantiacan/an/a
BacteriaStigmatella Aurantiaca DW4/3-1n/an/a


Undecan-2-ol

Mass-Spectra

Compound Details

Synonymous names
METHYLNONYLCARBINOL
XMUJIPOFTAHSOK-UHFFFAOYSA-N
2-Hydroxyundecane
Methyl nonyl carbinol
sec-Undecyl Alcohol
2-Hendecanol
2-UNDECANOL
AC1L25WX
Undecan-2-ol
Undecylic alcohol, sec-
5913AF
ACMC-209dse
CTK0H8430
U0027
SCHEMBL378851
DTXSID2058673
OR002404
AK176191
CHEBI:77930
ANW-22140
AN-20670
MFCD00021958
LMFA05000621
TC-110885
AI3-35680
AKOS009159106
J-010198
FT-0613465
FT-0613464
FEMA No. 3246
I14-18381
2-Undecanol, 97%, FG
1653-30-1
EINECS 216-722-6
113666-64-1
MolPort-001-783-215
2-Undecanol, >=98.0% (GC)
IUPAC nameundecan-2-ol
SMILESCCCCCCCCCC(C)O
InchiInChI=1S/C11H24O/c1-3-4-5-6-7-8-9-10-11(2)12/h11-12H,3-10H2,1-2H3
FormulaC11H24O
PubChem ID15448
Molweight172.312
LogP3.89
Atoms36
Bonds35
H-bond Acceptor1
H-bond Donor1
Chemical ClassificationAlcohols Alcohol

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaCollimonas Fungivorans Ter331n/aGarbeva et al., 2013
BacteriaCollimonas Pratensis Ter91n/aGarbeva et al., 2013
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
BacteriaPseudomonas Fragi 25Pn/aErcolini et al., 2009
BacteriaSerratia Plymuthica PRI-2Cnamaize rhizosphere, NetherlandsGarbeva et al., 2014
BacteriaStigmatella Aurantiaca DW4/3-1n/aDickschat et al., 2005_5
BacteriaXanthomonas Campestris Pv. Vesicatoria 85-10n/aWeise et al., 2012
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaCollimonas Fungivorans Ter331sand supplemented with artificial root exudatesHeadspace trapping/GC-MS
BacteriaCollimonas Pratensis Ter91sand supplemented with artificial root exudatesHeadspace trapping/GC-MS
BacteriaPaenibacillus Sp. P4sand containing artificial root exudatesGC/MSNo
BacteriaPedobacter Sp. V48sand containing artificial root exudatesGC/MSNo
BacteriaPseudomonas Fragi 25Pn/an/a
BacteriaSerratia Plymuthica PRI-2Csand containing artificial root exudatesGC/MSNo
BacteriaStigmatella Aurantiaca DW4/3-1n/an/a
BacteriaXanthomonas Campestris Pv. Vesicatoria 85-10NBIIClosed airflow-system/GC-MS and PTR-MS


(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexan-1-ol

Compound Details

Synonymous names
NOOLISFMXDJSKH-KXUCPTDWBX
Hexahydrothymol
Bentasil Blackcurrant
Eucalyptamint
Levomentholum
Menthacamphor
Menthomenthol
Racementholum
Thymomenthol
Biofreeze Colorless
Dynafreeze
Humphreys Bendito Alcoholado
Jakemans Peppermint
Levomenthol
levomentol
Meggezones Menthol Pastilles
Numotizine
Racementhol
Racementol
Therafreeze
Analgesic
Arthripain Relief
Besthealth Cherry
Besthealth Menthol
Bioactil
Bioflexor
Biofreeze
Broncolin Honey Eucalyptus
Celadrin
Fisherman's friend lozenges
Halls Butterscotch
Halls Mentholyptus
Hanbang Cataplasma
Headache crystals
Jakemans Blueberry
Keptrils
Keracare
Mediflex
Menthol racemique
Mobility Topical Analgesic
NOOLISFMXDJSKH-KXUCPTDWSA-
NOOLISFMXDJSKH-KXUCPTDWSA-N
Osmoflex
Peppermint camphor
Quickflex
Revalife
Superior Analgesic
Topcare Medicated
Arthritis Relief
Aspercreme Heat
Avapta
Coldaid
Flexgen
Fluaid
Halls Spearmint
Halls Strawberry
Honibe
Icyhot Medicated
Jakemans Cherry
Kerasal
Lurosil
MENTHOL
menthol crystals
Menthol natural
Menthol racemic
Menthol solution
Muscle
Novarnica Moisturizing Foot Cream
Olbas Pastilles
Oneback
Pain Relieving Analgesic
Patch Walgreens
Perform
Racemic menthol
Sorgon
Theraid
Therapeutic Relief Preferred Plus Pharmacy
Anc Neverpain External Analgesic
Arthri-support
Atopalm Pain Relieving
Avedana Pain-relieving
Barox
Besthealth Honey Lemon
Body
Celestial Seasonings Herbal Throat Drops
Easy
Flanax Honey Eucalyptus
Flexall Pain Relieving
Halls Menthol
Herbion Naturals Orange
Hielo Ardiente
Huitomi Slimming Sports
Ice Analgesic
Jointflex Ice
Laevo-Menthol
Linkus Lozenges Cough Suppressant/oral Anesthetic
Medique Medikoff Drops
Menthol Fresh Cough Suppressant
Nice Assorted
Olbas Lozenges Maximun Strength
Pain Relieving
Patch
Reactice Reactivating Ice Baume
Screamin Menthol Toast
Sella Natural
Stopain Cold Professional Strength Pain Relieving
Strawberry Cough Drops
Youngevity Invision Cm
Absorbine Back Therapeutic Pain Relief
Absorbine Jr
Algomend Pain Relief
Arctic Ice Analgesic
Bama Freeze
Berri-freez
Bioblast Pain Relief
Cold Therapy
Coralite Pain Relief
Cvs Pomegranate Cough
Cvs Watermelon Cough
d-Neomenthol
dextro,laevo-menthol
Equate Menthol Extra Strength
Fast Freeze
Flexall Ice
Good Neighbor Pharmacy Therapeutic Blue
Goose Grease
Green Bamboo
Halls Cherry
Halls Honey
Halls Ice Peppermint
Halls Plus Strawberry
Halls Tropical Fruit
Hallsmelon Splash Melon Splash
Ice External Analgesic Leader
Ice Therapy
Kool Comfort
Marathon Pain Relief Topical Analgesic
Maximum Strength Medicated Foot Powder
Medicated Foot Powder
Medicated Pain Relief
Meditowel Pain Relief
Menthol Crystals USP
Mentholatum Pain Relief Extra Strength
Myo-breathe
Myorx Pain Relieving
Nice Cherry
Nice Citrus
Nice Menthol
Odeur Senior Premium Cleanser
Pain Relieving Patch
Panitrol XR
Patch Kroger
Perfect Purity Hotice
Power Relief
rac-Menthol
Sofskin Ice Analgesic
Throat Coat
Wellpatch Backache Pain Relief
Arnica Pain Relief
Artico Ice
Assured Menthol Relief Stick
Assured Muscle Rub
Bentasil Sugar Free Blackcurrant Soft Texture
Biofreeze Colorless Roll-ON
Biorelief Ice Pain Relieving
Blue Ice Analgesic
Budpack Muscle Rub
Cepacol Sore Throat Regular Strength
Chriology Relax Up
Cough Lozenges Spearmint Menthol USP
Counteract Cough Drops Orchard Cherry
Cryogel Island Rain Natural Pain Relieving Vitaminerals
Cvs Therapeutic Menthol Gel
Cvs Therapeutic Menthol Pain Reliever
Dentek Canker Cover
Efac Pain Relieving
Eucerin Calming Itch Relief Treatment
Gold Bond Original Strength
Halls Melon Splash
Halls Mentho-lyptus
Halls Naturals Honey Lemon Chamomile
Harmon Extra Strength Pain Relieving
Health Smart Medicated Foot
Herbion Naturals Honey Lemon
I-menthol
Ice Cold Analgesic
Ice Quake
l-Menthol
Ludens Original Menthol Throat Drops
Medic Ice
Miracle Foot Repair
Miracle Pain Cream
Moore Medical Cherry Cough Suppressant/anesthetic Drops
Muscle Rub
Natural Pain Relieving Lavender Breeze Cryogel
Natures Sunshine Products Everflex Topical Analgesic Pain Relief
Novum Apr
Oxyrub Pain Relief
Pain Goodbye Medicated Cream
Patch Scherer Labs
Perfect Purity Medicated Foot Powder
Physi-cold
Relief Pain Relieving Cream
Rexall Vanishing Scent Pain Relieving
Sombra Cool Therapy
Stopain Cold Pain Relieving
Stopain Extra Strength Pain Relieving
Top Care Medicated
Ultra Strength Stopain Pain Relieving
Ultracin M
Vicks Vapodrops Cough Relief
Walgreens Aloe Vera Cooling
Watermelon Frost Sore Throat
AC1Q2QQM
Aloemint Skin Aid
Amar Ice
Army Health Pain Reliever
Arthri-zen Relief
Assured Ice Cold Topical Analgesic
Bengay Extra Strength Ice
Bengay Ultra Strength Regular Size
Bio-scriptives Extreme Pr
Biofreeze Roll-ON
Blue Ice
Broncolin Herbal Extracts and Honey
Budpak Muscle Rub
Canker Complete Canker Sore Relief
Cooling Epsom Rub
Counteract Cough Drops Honey Lemon
Cvs Tropical Citrus Cough
Dg Health Extra Strength Medicated
Dual Action Cherry Cough Suppressant Oral Anesthetic
Ecolyptus Pain Relieving Muscle Rub
Elgin Pain Relief
Extra Strength Pain Relief Therapy
Halls Apple Cider
Halls Extra Strong Menthol
Halls Honey Lemon
Halls Mint Bliss
Halls Mocha Mint
Halls Plus Cherry
Halls Plus Honey
Herbion Naturals Orange Cough Drops
Icy Blue
Icy Cool Maximum Strength
Icy Hot
Icy Hot Medicated
Icy Hot Naturals
Kpp Triple Action
Lander Polar Ice
Ludens Honey Licorice Throat Drops
Makesense Extra Strength Muscle Rub
Maxfit Freeze Gel
Meijer Cherry Cough Drops
Meijer Menthol Cough Drops
Menthol natural, brazilian
Mentholatum Sports Pain Relief Cold
Mineral Ice Pain Relieving
Miracle Foot Repair Cream
Moisture Therapy Anti-itch
Muscle and Joint
Nice Honey Lemon
North Cough Drop
Pain Relief Therapy Patch
Pain Relieving Patch Ultra Strength
Phoenix Kineticream Anti-inflammatory and Pain Relief
Polar Frost Cold
Premier Value Medicated Foot Powder
Raw Heat
Raw Ice
Soothing Ice Rub
Soothing Menthol Lip Care
Sugar Free Cherry Fishermans Friend Menthol Cough Suppressant
Sugar Free Refreshing Mint Fishermans Friend Menthol Cough Suppressant
Warming Epsom Rub
1R-Menthol
Absorbine Jr Ultra Strength Pain Relieving
Alhua Huogan Pain Relieving Patch
Atopalm Muscle and Joint
Babyganics Cold Relief Chest Rub
Barox Body Care Massage
Bengay Ultra Strength Large Size
Bengay Zero Degrees Menthol Pain Relieving
Besthealth Cough Suppressant Sugar Free Black Cherry Flavor
Blistex Ivarest Medicated Poison Ivy Cleansing Foam
Blue Gel Pain Relieving
Blue Ice Pain Relieving
Careall Musle and Joint
Cold Hot Patch
Cvs Soothing Itch Relief
Cvs Ultra Strength Pain Relieving
Dg Health Pain Relieving
Eez-away Relief
Equaline Blue Ice Pain Relieving
Evels Secret Natural Pain Relief Daredevil Strength
Extra Strength Stopain Cold Pain Relieving
Gold Bond Extra Strength
Gold Bond Medicated Foot
Halls Sugar Free Mountain Menthol
Herbion Naturals Mint Cough Drops
Icy Hot Advanced Relief
Icy Hot Vanishing Scent
Leader Cough Drops Cherry Flavor
Leader Cough Drops Menthol Flavor
Medique Sugar Free Medikoff Drops
Natural Herb Cough Drop
Nice Cool Mint
Original Extra Strong All Natural Fishermans Friend Menthol Cough Suppressant
Pain Relieving Patch Ultra Strength Ultra Strength
Red Lion Relief
Rugby Ice Blue External Analgesic
Smith Bros Menthol Eucalyptus Cough Drops
Walgreen Vanishing Scent Muscle and Joint
Yun Xiang Jing
Zims Arnica Max
1-Menthol
Absorbine Jr.
Activon Ultra Strength Joint and Muscle
Bengay Pain Relief and Massage
Bengay Ultra Strength Pain Relieving Regular Size
Bentasil Sugar Free Cherry Soft Texture
Besthealth Cough Suppressant Sugar Free Honey Lemon Flavor
Blue Ice Analgesic Gel
Celadrin Joint and Muscle Pain Relieving
Choice Personal Care Theraputic Blue Ice
Cold and Hot
Cold and Hot Medicated
Cold Spot Point Relief
Coralite Cold and Hot
Cvs Cold Hot Medicated
Cvs Vanishing Scent Muscle Rub
Dg Ice Cold Analgesic
Diapedic Foot and Leg Treatment
Dt Ice Cold Analgesic
Dual Action Honey Lemon Cough Suppressant Oral Anesthetic
Eros Iron Man
Extra Strength With Natural Menthol Glacier Mint Cough Suppressant
Han Honey Loquat Syrup
Herbion Naturals Honey Lemon Cough Drops
Herbion Naturals Honey-lemon Cough Drops
Hot Ice Soothing Analgesic Gel
Ice Cold Topical Analgesic Gel
Icy Hot Back
Joint and Muscle Pain
Leader Cough Drops Honey Lemon
Leader Extra Strength Medicated Pain Relief Patch
Low Sugar Cherry Flavor Fishermans Friend Menthol Cough Suppressant
Ludens Honey Lemon Throat Drops
Meijer Honey Lemon Cough Drops
Moore Medical Sugar Free Menthol Cough Suppressant/anesthetic Drops
Mr Dudleys Topical Pain Relief
Muscle and Joint Vanishing Scent Fast Penetrating
Muscle Rub Ultra Strength Pain Relieving
Natural Honey Herb Cough Suppressant Throat Drops
Perform Cool and Soothing Pain Relieving
Personal Care Ice Cold
Quality Choice Muscle and Joint
Real Time Pain Relief Topical Analgesic
Soothing Ice Rub Analgesic Gel
The Medicine Shoppe Extra Strength Pain Relieving
Therapeutic Icy Cold Cooling Pain Relief
Throat and Chest Berry Menthol
Vanishing Scent Muscle Rub Gel
Vitaminerals Inc. Cryogel Natural Pain Relieving
Xtracare Ice Cold Topical Analgesic Gel
Absorbine Jr Plus Ultra Strength Pain
AC1L1B2E
AC1L28FR
AC1Q1NQ2
Aurorae Healing Pain Relieving Roll-ON
Avon Healthy Remedies Menthol Celadrin Pain Relief Cream
Being Well Extra Strength Menthol Heat
Ben-gay Ice
Bengay Ultra Strength Pain Relieving Large Size
d,l-Menthol
Double Prawn Brand Herbal Oil
Equaline Cold and Hot Medicated Large
Equaline Cold and Hot Medicated Small
Gold Bond Pain Relieving Foot
Goodsense Extra Strength Cold and Hot Medicated
Green Guard Cough Drop Relief
Halls Sugar Free Black Cherry
Halls Sugar Free Citrus Blend
Halls Sugar Free Extra Strong Menthol
Halls Sugar Free Honey Berry
Halls Sugar Free Honey Lemon
Herbion Naturals Orange Cough Drops Sugar Free
Ice Quake Muscle Rub
Icy Hot Medicated Roll Large
Icy Hot Medicated Roll Medium
Imada Four Seasons Safe Analgesic Balm
K2 Cold Therapy
Kay Medic Menthol Pain Relief
Medi-first Cherry Cough Drops
Meijer Cold and Hot Medicated
Myorx Low Dose Pain Relieving
Natural Cherry Honey Herb Throat Drops
Natural Honey Lemon With Echinacea Cough Suppressant Throat Drops
Obus Form Therapeutic Ice Gel
Oxy Rub Pain Relief
Personal Care Extra Strength Cold Hot
Po Sum On Medicated
Sub-zero Cool Pain Relieving
Sugar Free Mountain Herb Cough Suppressant Throat Drops
The Original Natural Herb Cough Drops
Tianhe Guben Yaoshen Tie Gao
Tibet Gigi Itch Relief Cream
Tra-kill tracheal mite killer
Zhong Hua Jiu Patch
3-p-Menthanol
Absorbine Jr. Back
Absorbine Jr. Plus
At One With Nature
Barox Body Care Massage Relax Refresh Revital
Bentasil Sugar Free Honey Lemon Soft Texture
BZ1R15MTK7
Careone Extra Strength Cold and Hot
Ching Wan Hung Soothing Herbal Balm
Coralite Extra Strength Cool and Hot
Cvs Sore Muscle Rub Vanishing Scent
Dr. Blue
Equate Cool and Heat Extra Strength
Family Care Muscle and Joint Vanishing Scent
Foot Works Achy Foot Massager Pain Relieving
Hallssugar Free Extra Sugar Free Extra Strong Menthol
Harmon Extra Strength Pain Relieving Roll-ON
Icy Hot Medicated No Mess Applicator
Icy Hot Power Gel
Kool Comfort Pain Relieving Roll-ON
Meijer Extra Strength Cold and Hot Medicated
Menthol racemique [French]
Moore Medical Sugar Free Black Cherry Cough Suppressant/anesthetic Drops
Natural Lemon Mint Herb Throat Drops
Natures Choice Cool Hot Ice
No Pain More Gain
Perform Cool and Soothing Pain Relieving Foot
PubChem7972
Q Health Pain Relief Spray
SCHEMBL4613
Sof Skin Icy Blue
Stressa Back and Neck Pain Relieving
Sugar Free Cherry Herb Throat Drops
White Real Time Pain Relief Topical Analgesic
3-p-Menthol
Assured Extra Strength Cold N Hot
Cold and Hot Pain Relief
Cooln Heat Micro Well At Walgreens
Dr. Carrasco Pain Relief
Eb302 Arthritis Relief
Flexall Muscle (original Strength)
GTPL2430
Herbion Naturals Honey Lemon Cough Drops Sugar Free
Icy Hot Medicated, Advanced Relief
Leader Sugar Free Cough Drops Black Cherry
Levomentholum [INN-Latin]
Medi First Plus Cherry Cough Drops
Mhs Boo Boo Balm
Mountain Herb Sugar Free With Stevia Cough Suppressant Oral Anesthetic
Mr Dudleys Topical Cycle Relief With Nutmeg
nchembio862-comp1
Racementholum [INN-Latin]
Racementol [INN-Spanish]
Smith Bros Honey Lemon Cough Drops
Sugar Free Original Swiss Herb Cough Suppressant Throat Drops
Throat and Chest Anise and Menthol
Weh-weh Pain Reliever Gel
Winco Extra Strength Cold and Hot Medicated
ARONIS27036
C10H20O
Cepacol Sore Throat From Post Nasal Drip
CID1254
Cold and Hot Medicated Pain Relief Large
Cold and Hot Medicated Pain Relief Small
Cold and Hot Pain Relief Sleeve
Cvs Extra Strength Cold and Hot Medicated
Dorflex Icy Hot Flexible, Large
Dorflex Icy Hot Flexible, Small
Eb301ap Pain Relief
Extra Strength Stopain Cold Pain Relieving Roll On
Family Wellness Cold and Hot Pain Relief
Fisherman's friend lozenges (TN)
Ice Gel Therapy 2%
Icy Hot Medicated, Back
Menthol (VAN)
Mhs Dit Da Jow
Nan San Easy Flex Pain Relieving
NSC2603
Rite Aid Cold and Hot Medicated
Smart Sense Cold and Hot Extra Strength Medicated
Studio 35 Medicated Body
Sugar Free Swiss Cherry Herb Throat Drops
Throat and Chest Chili and Lime
Throat and Chest Honey Lemon and Menthol
UNII-BZ1R15MTK7
UNII-L7T10EIP3A
(L)-MENTHOL
Aspercreme Max No Mess Roll On
Assured Cold N Hot Pain Relief Menthol
Bio 2 Brazilian Heat Brazilian Heat
CCRIS 375
Cool N Heat Well At Walgreens
CTK5H9748
Cvs Cold and Hot Medicated XL
Cvs Extra Strength Cold and Hot Medicated Patch
Deep Cold Arthritic Hand Lotion 2%
dl-3-p-Menthanol
Eb301ct Bruise Pain Relief
Extra Strength Cold N Hot Pain Relief Medicated
HMDB03352
HMS502I22
HSDB 593
Icy Hot Medicated Roll, Large
Icy Hot Medicated Roll, Medium
Icy Hot Medicated, XL
Kerasal PF-10
LA Jiao Feng Shi Gao
Levomenthol [INN:BAN]
M0321
M0545
Menthol, dl-
Menthol, l-
N1950
Perform Cool and Soothing Pain Relieving Roll-ON
Racementhol [INN:BAN]
Sound Body Extra Strength Cold and Hot Medicated
Sugar Free Green Tea With Echinacea Cough Suppressant Throat Drops
Sugar Free Lemon Mint Herb Throat Drops
Therapeutic Icy Cold Cooling Pain Relief Roll-ON
()-Menthol
CHEMBL256087
CHEMBL470670
CID16666
DB00825
Dorflex Icy Hot Flexible, XL
Gold Bond Pain Relieving Foot Roll On
Icy Hot Back and Large Areas
l-Menthol (natural)
LS-886
Maybelline New York Baby Lips Dr Rescue Medicated Balm
Menthol(-)
Miracle Of Aloe Rub Roll On
Myoflex Ice Cold Gel 5%
Myoflex Ice Cold-gel 4%
Natural Lemon Verbena With White Tea Herb Throat Drops
Nature's Relief 1222
NSC62788
p-Menthan-3-ol
Paraid Extra Strength Menthol Pain Relief Sleeve Knee Large Ankles Elbows
Qc Cold and Hot Pain Relief
Smith Bros Sugar-free Black Cherry Cough Drops
UNII-YS08XHA860 component NOOLISFMXDJSKH-KXUCPTDWSA-N
19863P
C00400
CCRIS 3728
CCRIS 4666
Celestial Seasonings Herbal Throat Drops - Golden Herbal Blend
D00064
D04849
D04918
Dr. Waltons Cool and Hot Analgesic
HMS1922G13
HMS2092L14
HSDB 5662
M2772_SIAL
Major Extra Strength Cold and Hot Pain Relief Therapy
SPECTRUM1503134
UNII-YS08XHA860
15785_RIEDEL
63670_ALDRICH
AK110724
AK158890
BS-3863
BT000186
Cool N Heat Patch for Back Extra Strength
Cyclohexanol, 2-isopropyl-5-methyl
DAP000876
DTXSID1022180
l-Menthol (TN)
LS-2353
Meloids Pwr 1.5%
Menthol, United States Pharmacopeia (USP) Reference Standard
MP-2129
NSC 2603
NSC-2603
NSC758395
OR012113
OR111542
OR382080
OR382082
Skin So Soft Bug Guard Plusitch Relief Itch Relief
STK802468
U.S.P. Menthol
Up and Up Hot and Cold Medicated
15785_SIAL
63660_FLUKA
63670_FLUKA
Blue Ice 2.5%
CHEBI:15409
Coralite Extra Strength Menthol Pain Relief Sleeve - Knee
Coralite Extra Strength Menthol Pain Relief Sleeve - Wrist
D008610
Direct Formulary Menthol Cough Loz 6.1mg
DSSTox_CID_2180
Icy Hot XL Back and Large Areas
L(-)-Menthol
NCI-C50000
RACEMIC MENTHOL U.S.P.
Rite Aid Extra Strength Pain Relief Cold and Hot Medicated
Spectrum_000305
W266507_ALDRICH
W266523_ALDRICH
W266590_ALDRICH
ZINC1482164
(-)-menthol
(-)-Menthyl alcohol
4-Isopropyl-1-methylcyclohexan-3-ol
551376_ALDRICH
588733_ALDRICH
613290_ALDRICH
AB1011830
AJ-26316
AN-20763
AR-1J3337
BSPBio_003062
CCG-40300
CJ-05091
CJ-23654
DSSTox_GSID_20805
DSSTox_GSID_22180
EBD2156737
Formula T.T.O. Honey Lozenges
Ice Gel 2.0%
KBioSS_000785
LS-57201
LS-89531
LS-89533
NSC 62788
NSC-62788
Paraid Extra Strength Menthol Pain Relief Sleeve Wrist and Small Ankles and Elbows
SC-02557
SC-18117
ST2407841
The Fresh Market Medicated Lip Balm Soothing With Menthol Eucalyptus Oil and Clove
(-)-Menthol, primary pharmaceutical reference standard
551376_FLUKA
613290_FLUKA
Artic Ice Analgesic Gel 2.5%
BB_NC-0057
BDBM50318482
CHEBI:545611
Direct Formulary Honey-lem. Menth. Cough Loz
DSSTox_RID_75798
DSSTox_RID_76516
Icy Hot Arm Neck Leg and Small Areas
L-Menthol, pharmaceutical secondary standard; traceable to USP and PhEur
MFCD00062979
NINDS_000820
Polar Ice Analgesic Gel 2.5%
Rock Sauce Chill (no Color)
SPBio_000869
Spectrum2_000855
Spectrum3_001561
Spectrum5_001060
Vicks Blue Throat Drops 0.3%
ZINC01482164
AI3-52408
Cyclohexanol, 2-isopropyl-5-methyl-
dl-Menthol (JP15)
Dr. Teals Pre and Post Workout Pain Relief
l-Menthol (JP15)
l-Menthol (JP17)
NSC-758395
TR-030715
Vicks Vaposyrup Liq 0.125%
(-)-Menthol, analytical standard
5-Methyl-2-(1-methylethyl)cyclohexanol
AKOS000119740
AKOS016842647
D-(-)-Menthol
DivK1c_000820
I06-1216
I14-7371
KBio1_000820
KBio2_000785
KBio2_003353
KBio2_005921
KBio3_002562
l-(-)-Menthol
Q-201316
(+-)-Menthol
BRN 1902288
BRN 3194263
FEMA No. 2665
IDI1_000820
Menthol Cough Lozenges - 6.1mg
MLS002207256
SMR001306785
89-78-1
Big V Cough Lozenges Cherry 6.1mg/loz
Big V Menthol Cough Lozenges 6.1mg/loz
Flex-all 454 10%
LMPR0102090001
Antiphlogistine Rub A-535 Ice Gel 4%
Flex-all 454 Gel 7%
Tox21_111620
Tox21_201823
Tox21_201919
Tox21_202608
Tox21_302999
Tox21_303028
(−)-Menthol
491-02-1
5-Methyl-2-(1-methylethyl)-cyclohexanol
Big V Honey-lemon Cough Lozenges 8.4mg/loz
Menthol,3,trans-1,4-
Vicks Blue Throat Drops Loz 0.307%
Z1698549655
(+/-)-Menthol
(1R,2S,5R)-Menthol
1-iso propyl-4-methyl cyclohexan-2-ol
CAS-89-78-1
Flex-all 454 16% Gel
Menthol, (1alpha,2beta,5alpha)-Isomer
2216-51-5
MCULE-8181548788
NCGC00159382-02
NCGC00159382-03
NCGC00164247-01
NCGC00164247-02
NCGC00164247-03
NCGC00256525-01
NCGC00256561-01
NCGC00259372-01
NCGC00259468-01
NCGC00260156-01
WLN: L6TJ AY1&1 BQ D1
(-)-trans-p-Menthan-cis-ol
5-methyl-2-propan-2-ylcyclohexan-1-ol
AB00052320_02
Cool N Heat Patch for Arm, Neck and Leg Extra Strength
EINECS 201-939-0
EINECS 207-724-8
EINECS 218-690-9
EINECS 239-387-8
EINECS 239-388-3
L-Menthol, 99% 50g
MENTHOL, (+)-neo-
(R)-(-)-Menthol
20747-49-3
98167-53-4
Honey-lemon Cough Lozenges - 8.4mg
L-Menthol, >=99%, FCC, FG
Pharmakon1600-01503134
SDCCGMLS-0066659.P001
Sooth X Creme - 1.25%
(-)-p-Menthan-3-ol
(+)-p-Menthan-3-ol
CAS-2216-51-5
EC 201-939-0
SR-05000001936
(1R)-(-)-Menthol
SBI-0051777.P002
(1R,2S,5R)-2-Isopropyl-5-methylcyclohexanol
Formula T.T. Lozenges - 3.0mg
MolPort-000-849-729
MolPort-001-793-392
L-Menthol, natural, >=99%, FCC, FG
(1R,2S,5R)-rel-2-Isopropyl-5-methylcyclohexanol
WLN: L6TJ AY1&1 DQ D1 -L
(-)-Menthol, USP, 97%
(1alpha,2beta,5alpha)-5-methyl-2(1-methylethyl)cyclohexanol
(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexanol
(1R,2S,5S)-2-Isopropyl-5-methyl-cyclohexanol
SR-05000001936-2
Menthol, trans-1,3,trans-1,4-
Menthol,3R,4S)-(-)-
Sport Cold - Gel - 2%
(+/-)-p-Menthan-3-ol
Menthol, cis-1,3,trans-1,4-
Menthol, cis-1,3,cis-1,4-
(1S,2R,5R)-(+)-Isomenthol
(-)-(1R,3R,4S)-Menthol
(1r,2s,5r)-(-)-menthol
(1R,2S,5R)-2-isopropyl-5-methylcyclohexan-1-ol
(1R,3R,4S)-(-)-MENTHOL
Menthol, (.+/-.)-
2-06-00-00052 (Beilstein Handbook Reference)
4-06-00-00151 (Beilstein Handbook Reference)
(+-)-(1R*,3R*,4S*)-Menthol
(1R,2S,5R)-5-methyl-2-(1-methylethyl)cyclohexanol
2-Isopropyl-5-methylcyclohexanol-, (1R,2S,5R)- #
5-Methyl-2-(1-methylethyl)cyclohexanol, (1alpha,2beta,5alpha)-
cis-1,3-trans-1,4-(+-)-menthol
Cyclohexanol, (1.alpha.,2.beta.,5.alpha.)-
Menthol, (1R,3R,4S)-(-)-
Menthol, (1S,3S,4R)-(+)-
(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexan-1-ol
cis-1 ,3-trans-1,4-(+-)-menthol
6C6A4A8C-A054-468C-A1F0-F29E39838CF2
(1R,2S,5R)-(-)-Menthol, >=99%, sublimed
(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexan-1-ol
Cyclohexanol, 5-methyl-2-(1-methylethyl)-, (1alpha,2beta,5alpha)-
(1R,2S,5R)-5-methyl-2-(propan-2-yl)cyclohexan-1-ol
(1R,2S,5R)-(-)-Menthol, ReagentPlus(R), 99%
Cyclohexanol, [1R-(1.alpha.,2.beta.,5.alpha.)]-
(1R-(1-alpha,2-beta,5-alpha))-5-Methyl-2-(1-methylethyl)cyclohexanol
Cyclohexanol, 5-methyl-2-(1-methylethyl)-, (1R,2S,5R)-
Cyclohexanol, 5-methyl-2-(1-methylethyl)-, (1R,3R,4S)-
(1R,2S,5R)-(-)-Menthol, Vetec(TM) reagent grade, 98%
Cyclohexanol, 5-methyl-2-(1-methylethyl)-, (1R,2S,5R)-rel-
Cyclohexanol, 5-methyl-2-(1-methylethyl)-, (1R-(1alpha,2alpha,5beta))-
Cyclohexanol, 5-methyl-2-(1-methylethyl)-, (1R-(1alpha,2beta,5alpha))-
(1R-(1-.alpha.,2-.beta.,5-.alpha.))-5-Methyl-2-(1-methylethyl)cyclohexanol
(-)-Menthol, puriss., meets analytical specification of Ph. Eur., BP, USP, 98.0-102.0%
Cyclohexanol, 5-methyl-2-(1-methylethyl)-, [1R-(1.alpha.,2.beta.,5.alpha.)]-
(1R,2S,5R)-2-Isopropyl-5-methylcyclohexanol; 5-Methyl-2-(1-methylethyl)cyclohexanol; (-)-p-Menthan-3-ol; (1R,2S,5R)-(?)-Menthol
InChI=1/C10H20O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-11H,4-6H2,1-3H3/t8-,9+,10-/m1/s1
IUPAC name(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexan-1-ol
SMILESCC1CCC(C(C1)O)C(C)C
InchiInChI=1S/C10H20O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-11H,4-6H2,1-3H3/t8-,9+,10-/m1/s1
FormulaC10H20O
PubChem ID16666
Molweight156.269
LogP2.66
Atoms31
Bonds31
H-bond Acceptor1
H-bond Donor1
Chemical ClassificationTerpenes Alcohols

mVOC Specific Details

Volatilization
The Henry's Law constant for L-menthol is estimated as 1.5X10-5 atm-cu m/mole(SRC) using a fragment constant estimation method(1). This Henry's Law constant indicates that L-menthol is expected to volatilize from water surfaces(2). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec)(2) is estimated as approximately 2 days(SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(2) is estimated as approximately 18 days(SRC). L-Menthol's Henry's Law constant(1,SRC) indicates that volatilization from moist soil surfaces may occur(SRC). L-Menthol is not expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 0.064 mm Hg at 25 deg C(3).
Literature: (1) Meylan WM, Howard PH; Environ Toxicol Chem 10: 1283-93 (1991) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington,DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (3) Perry RH, Green D; Perry's Chemical Handbook 6th ed. NY,NY: McGraw-Hill (1984)
Soil Adsorption
The Koc of L-menthol is estimated as approximately 1,500(SRC), using a log Kow of 3.3(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that L-menthol is expected to have low mobility in soil(SRC).
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: 23 (1983)
MS-Links
1D-NMR-Links

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaStigmatella Aurantiacan/aSchulz and Dickschat, 2007
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaStigmatella Aurantiacan/an/a


3,4,7,7-tetramethylbicyclo[2.2.1]heptan-3-ol

Mass-Spectra

Compound Details

Synonymous names
LFYXNXGVLGKVCJ-UHFFFAOYSA-N
2-METHYLISOBORNEOL
2-methyl-isoborneol
AC1L28XX
SCHEMBL50282
ACMC-20n4fu
2-Methyl-2-bornanol
CCRIS 6593
OR116942
OR221823
PL000982
2-exo-Hydroxy-2-methyl-bornan
LS-188264
FT-0613061
2-Bornanol, 2-methyl-
2371-42-8
91278-70-5
95097-54-4
27695-81-4
18680-50-7
145164-18-7
1071630-41-5
2-Norbornanol, 1,2,7,7-tetramethyl-
3,4,7,7-tetramethylbicyclo[2.2.1]heptan-3-ol
1,2,7,7-Tetramethylbicyclo[2.2.1]heptan-2-ol
1,2,7,7-Tetramethylbicyclo[2.2.1]heptan-2-ol #
(1R,2R)-1,2,7,7-Tetramethylbicyclo[2.2.1]heptan-2-ol
Bicyclo(2.2.1)heptan-2-ol, 1,2,7,7-tetramethyl-, exo-
Bicyclo[2.2.1]heptan-2-ol, 1,2,7,7-tetramethyl-, (1S,2R,4S)-
IUPAC name3,4,7,7-tetramethylbicyclo[2.2.1]heptan-3-ol
SMILESCC1(C2CCC1(C(C2)(C)O)C)C
InchiInChI=1S/C11H20O/c1-9(2)8-5-6-10(9,3)11(4,12)7-8/h8,12H,5-7H2,1-4H3
FormulaC11H20O
PubChem ID16913
Molweight168.28
LogP2.27
Atoms32
Bonds33
H-bond Acceptor1
H-bond Donor1
Chemical ClassificationTerpenes Bicyclo Alcohols Terpene

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaActinomycetes Spp.n/aDickschat et al., 2007
BacteriaCyanobacterian/aDickschat et al., 2007
BacteriaNannocystis Exedens Na E485n/aDickschat et al., 2007
BacteriaNannocystis Exedens Na EB37n/aDickschat et al., 2007
BacteriaNannocystis Exedens Subsp. Cinnabarina Na C29n/aDickschat et al., 2007
BacteriaStreptomyces Lavendulaen/aDickschat et al., 2007
FungiAspergillus NigerSchnürer et al. 1999
FungiPenicillium SolitumSchnürer et al. 1999
BacteriaActinobacteria Sp.n/aStahl and Parkin, 1976
BacteriaActinomycetes Spp.n/aSchulz and Dickschat, 2007
BacteriaBiofilms A (Rivularia Sp./Calothrix Parietina Community)n/aHoeckelmann et al., 2004
BacteriaCyanobacterian/aSchulz and Dickschat, 2007
BacteriaOscillatoria Chalybean/aSchulz and Dickschat, 2007
BacteriaOscillatoria Sp.n/aSchulz and Dickschat, 2007
BacteriaStigmatella Aurantiacan/aSchulz and Dickschat, 2007
BacteriaStreptomycesJones et al. eLife 2017;6:e21738.
BacteriaStreptomyces Alboflavus TD-1n/aWang et al., 2013
BacteriaStreptomyces Aureofaciens ETH 13387n/aSchoeller et al., 2002
BacteriaStreptomyces Aureofaciens ETH 28832n/aSchoeller et al., 2002
BacteriaStreptomyces Diastatochromogenes IFO 13814n/aSchoeller et al., 2002
BacteriaStreptomyces Griseus ATCC 23345n/aSchoeller et al., 2002
BacteriaStreptomyces Griseus Subsp. Griseus DSM 40236nasoilWilkins, 1996
BacteriaStreptomyces Hygroscopicus ATCC 27438n/aSchoeller et al., 2002
BacteriaStreptomyces Murinus DSM 40091n/aSchoeller et al., 2002
BacteriaStreptomyces Murinus NRRL 8171n/aSchoeller et al., 2002
BacteriaStreptomyces Olivaceus ETH 7437n/aSchoeller et al., 2002
BacteriaStreptomyces Sp. GWS-BW-H5.n/aDickschat et al., 2005_2
BacteriaStreptomyces Spp.n/aSchulz and Dickschat, 2007
BacteriaStreptomyces Spp. AMI 240n/aSchoeller et al., 2002
Fungi Aspergillus NigerPriegnitz et al. 2015
FungiPenicillium Polonicumnawater damaged buildings, BelgiumPolizzi et al., 2012
Fungi Penicillium Sp.Larsen and Frisvad 1995
Fungi Streptomyces Sp.Medsker et al. 1969
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaActinomycetes Spp.n/an/a
BacteriaCyanobacterian/an/a
BacteriaNannocystis Exedens Na E485n/an/a
BacteriaNannocystis Exedens Na EB37n/an/a
BacteriaNannocystis Exedens Subsp. Cinnabarina Na C29n/an/a
BacteriaStreptomyces Lavendulaen/an/a
FungiAspergillus Nigermalt extract agar with 0.5-1.0% acetic acidTenaxGC,Chromosorb,HS-SPME, GC-MSno
FungiPenicillium Solitummalt extract agar with 0.5-1.0% acetic acidTenaxGC,Chromosorb,HS-SPME, GC-MSno
BacteriaActinobacteria Sp.n/an/a
BacteriaBiofilms A (Rivularia Sp./Calothrix Parietina Community)n/an/a
BacteriaOscillatoria Chalybean/an/a
BacteriaOscillatoria Sp.n/an/a
BacteriaStigmatella Aurantiacan/an/a
BacteriaStreptomycesYPD agarGCxGC-TOFMSno
BacteriaStreptomyces Alboflavus TD-1Gause's synthetic mediumHeadspace, solid-phase microextraction
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 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 Subsp. Griseus DSM 40236Nutrient agar CM3GC/MS
BacteriaStreptomyces Hygroscopicus ATCC 27438Emmerson'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 Olivaceus ETH 7437Emmerson'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
Fungi Aspergillus Nigerno
FungiPenicillium Polonicummalt extract agar; potato dextrose agar; water agar; yeast extract agar; Czapek agarSPME-GC/MSNo
Fungi Penicillium Sp.no
Fungi Streptomyces Sp.no