Results for:
Species: Cytophaga-Flavobacterium-Bacteroides group strain ARK 10063

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
Microorganism:

Yes

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


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.
Microorganism:

Yes

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


4,7,7-trimethylbicyclo[2.2.1]heptan-3-one

Mass-Spectra

Compound Details

Synonymous names
Alcanfor
Alphanon
Camphora
DSSYKIVIOFKYAU-UHFFFAOYSA-N
Matricaria camphor
camphor
Formosa
Formosa camphor
Japanese camphor
Kampfer
Japan camphor
Laurel camphor
Camphor oil
Camphor USP
dextro,laevo-camphor
Gum camphor
Camphor, synthetic
DL-Camphor
l-Camphor
2-Camphanone
2-Camphonone
AC1L1DWH
Huile de camphre
Root bark spirit
Spirit of camphor
2-Bornanone
2-Kamfanon
Root bark oil
AC1Q2CF0
camphor (natural)
Camphor Powder - Synthetic
d-2-Bornanone
d-2-Camphanone
Bornan-2-one
GTPL2422
HSDB 37
Kampfer [German]
KSC378C7P
Q964
Camphor (USP)
CHEMBL15768
SCHEMBL16068
UN2717
C1251
camphor, (synthetic)
Camphor, D-
CTK2H8177
HMS502E06
1,7,7-Trimethylnorcamphor
DL-Bornan-2-one
JFD03998
LS-126
(1R)-Camphor
C00809
C18369
D00098
HMS2268A06
Huile de camphre [French]
Sarna (Salt/Mix)
AC-5284
BBL012963
BT000174
DTXSID5030955
Heet (Salt/Mix)
LS-1691
OR001346
OR116929
OR327727
STK803534
UN 2717
(-)-Alcanfor
2-Kamfanon [Czech]
A838646
ACMC-209k77
CHEBI:36773
D(+)-Camphor
(-)-Camphor
(+)-Camphor
AC-15523
AN-11174
AN-17868
AN-23465
AN-23893
ANW-30449
Bornane, 2-oxo-
DSSTox_GSID_30955
KB-00097
KB-50285
LS-48718
TRA0077646
BB_NC-0198
CAMPHOR POWDER D.A.B.8
Caswell No. 155
DSSTox_CID_10955
DSSTox_RID_78860
MFCD00064149
NINDS_000724
AI3-01698
AI3-18783
Camphor, (1R)-Isomer
DB-070734
dl-Camphor (JP17)
KB-270826
RTR-037701
TR-037701
2-Keto-1,7,7-trimethylnorcamphane
AKOS000118728
AKOS022060577
D-(+)-Camphor
DivK1c_000724
EPA Pesticide Chemical Code 015602
I06-1217
KBio1_000724
l-(-)-Camphor
Q-200784
W-109539
W-110530
(+-)-Camphor
BRN 1907611
BRN 3196099
FEMA No. 2230
FT-0607017
IDI1_000724
MLS001055495
SMR000386909
(+)-2-Bornanone
1,7,7-trimethylnorbornan-2-one
76-22-2
I14-16513
LMPR0102120001
Z940713494
Tox21_200237
464-48-2
F0001-0763
(+/-)-Camphor
Camphor, (+)-
CAS-76-22-2
Norcamphor, 1,7,7-trimethyl-
Camphor, (+-)-Isomer
MCULE-2476865084
NCGC00090681-05
NCGC00090730-01
NCGC00090730-02
NCGC00257791-01
EINECS 200-945-0
EINECS 207-355-2
EINECS 244-350-4
21368-68-3
CAMPHOR, (+-)-
(1R)-(+) Camphor
(1R)-(+)-amphor
MolPort-002-506-944
Camphor, synthetic [UN2717] [Flammable solid]
(.+/-.)-Camphor
Camphor, (+/-)-
(1R, 4R)-(+) Camphor
(1R,4R)-1,7,7-trimethylnorbornan-2-one
Camphor, (.+/-.)-
1,7,7-Trimethylbicyclo(2.2.1)-2-heptanone
1,7,7-Trimethylbicyclo(2.2.1)heptan-2-one
1,7,7-Trimethylbicyclo[2.2.1]-2-heptanone
1,7,7-Trimethylbicyclo[2.2.1]heptan-2-one
4,7,7-trimethyl-3-bicyclo[2.2.1]heptanone
4,7,7-trimethylbicyclo[2.2.1]heptan-3-one
Camphor, (1R,4R)-(+)-
1,7,7-Trimethyl-bicyclo(2,2,1)Heptan-2-one
1,7,7-Trimethyl-bicyclo[2.2.1]heptan-2-one
1,7,7-trimethyl-bicyclo[2.2.1]heptan-6-one
(+/-)-Camphor, 96% 100g
Bicyclo(2.2.1)heptane-2-one, 1,7,7-trimethyl-
Bicyclo[2.2.1]heptane-2-one, 1,7,7-trimethyl-
Bicyclo(2.2.1)heptan-2-one, 1,7,7-trimethyl-
Bicyclo[2.2.1]heptan-2-one, 1,7,7-trimethyl-
(+/-)-1,7,7-trimethyl-bicyclo[2,2,1]heptane-2-one
Bicyclo(2.2.1)heptan-2-one, 1,7,7-trimethyl-, (1theta)-
Bicyclo(2.2.1)heptan-2-one, 1,7,7-trimethyl-, (1R)-
Bicyclo[2.2.1]heptan-2-one, 1,7,7-trimethyl-, (1R)-
Bicyclo[2.2.1]heptan-2-one, 1,7,7-trimethyl-, (1S)-
Bicyclo[2.2.1]heptan-2-one, 1,7,7-trimethyl-, (1S,4S)-
Bicyclo[2.2.1]heptan-2-one, 1,7,7-trimethyl-, (+/-)-
CAMPHOR (SEE ALSO DL-CAMPHOR (21368-68-3) AND D-CAMPHOR (464-49-3))
Bicyclo[2.2.1]heptan-2-one, 1,7,7-trimethyl-, (.+/-.)-
DL-CAMPHOR (SEE ALSO D-CAMPHOR (464-49-3) AND DL-CAMPHOR (21368-68-3))
Microorganism:

Yes

IUPAC name4,7,7-trimethylbicyclo[2.2.1]heptan-3-one
SMILESCC1(C2CCC1(C(=O)C2)C)C
InchiInChI=1S/C10H16O/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7H,4-6H2,1-3H3
FormulaC10H16O
PubChem ID2537
Molweight152.237
LogP2.55
Atoms27
Bonds28
H-bond Acceptor1
H-bond Donor0
Chemical ClassificationTerpenes Ketones Bicyclo

mVOC Specific Details

Volatilization
The Henry's Law constant for camphor is estimated as 8.3X10-5 atm-cu m/mole(SRC) derived from its vapor pressure, 0.65 mm Hg(1), and water solubility, 1.570X10+3 mg/L(2). This Henry's Law constant indicates that camphor 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 17 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 9 days(SRC). Camphor's estimated Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). Camphor is expected to volatilize from dry soil surfaces(SRC) based upon its vapor pressure(1).
Literature: (1) Jones AH; J Chem Eng Data 5: 196-200 (1960) (2) Yalkowky SH et al; Handbook of Aqueous Solubility Data. 2nd ed., Boca Raton, FL: CRC Press, p. 721 (2010) (3) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990)
Soil Adsorption
Using a structure estimation method based on molecular connectivity indices(1), the Koc of camphor can be estimated to be 117(SRC). According to a classification scheme(2), this estimated Koc value suggests that camphor is expected to have high mobility in soil.
Literature: (1) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.11. Nov, 2012. Available from, as of May 21, 2014: http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm (2) Swann RL et al; Res Rev 85: 17-28 (1983)
Vapor Pressure
PressureReference
0.65 mm Hg at 25 deg CJones AH; J Chem Eng Data 5: 196-200 (1960)

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaCytophaga-Flavobacterium-Bacteroides Group Strain ARK 10063n/aDickschat et al., 2005_3
BacteriaCytophaga-Flavobacterium-Bacteroides Group Strain ARK 10267n/aDickschat et al., 2005_3
BacteriaStreptomyces Albusn/aSchulz and Dickschat, 2007
FungiAntrodia Cinnamomea ATCC 200183nanaLu et al., 2014
FungiFomitopsis PinicolanaGermanyRösecke et al., 2000
FungiGanoderma Lucidumnasaprophytic on deciduous treesZiegenbein et al., 2006
FungiTuber Magnatumn/aItalian geographical areas (Emilia Romagna, Border region area between Emilia Romagna and Marche)Gioacchini et al., 2008
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaCytophaga-Flavobacterium-Bacteroides Group Strain ARK 10063n/an/a
BacteriaCytophaga-Flavobacterium-Bacteroides Group Strain ARK 10267n/an/a
BacteriaStreptomyces Albusn/an/a
FungiAntrodia Cinnamomea ATCC 200183PDAGC/MSYes
FungiFomitopsis PinicolanaGC/MSNo
FungiGanoderma LucidumnaGC/MSNo
FungiTuber Magnatumn/amicroextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)


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
Microorganism:

Yes

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


2-(4-methylcyclohex-3-en-1-yl)propan-2-ol

Mass-Spectra

Compound Details

Synonymous names
Monocyclic terpenealcohols
CARVOMENTHENOL
Terpineol schlechthin
TERPINEOLS
Terpenol
Terpineol
WUOACPNHFRMFPN-UHFFFAOYSA-N
alpha-Terpinenol
alpha-TERPINEOL
Terpene alcohol
Terpineol Normal
alpha-Terpineol, primary pharmaceutical reference standard
TERPINEOL OR
alpha-Terpineol, AldrichCPR
alpha-Terpineol, analytical standard
dl-alpha-Terpineol
TERPINEOL, ALPHA
DL a-terpineol
Terpineol, mixed isomers
1-alpha-terpineol
Mixture of p-methenols
Terpineol (natural)
.alpha.-Terpineol
Alpha-Terpineol, Mixture of Isomers
Terpilenol, alpha-
AC1L29B5
alpha-Terpineol (natural)
KSC486Q4B
Terpineol 350
SCHEMBL28466
CTK3I6840
V0385
CHEMBL449810
NSC21449
PC 593
C16772
CCRIS 3204
HSDB 5316
1-.alpha.-Terpineol
1-Menthene-8-ol
AK122298
DTXSID5026625
FEMA Number 3045
LS-3106
NSC403665
OR034447
OR126371
OR342936
OR343294
SBB061191
4-Trimethyl-3-cyclohexene-1-methanol
CHEBI:22469
DSSTox_CID_6625
AN-18294
AN-19422
AN-24486
DSSTox_GSID_26625
DSSTox_GSID_40775
NSC 21449
NSC-21449
SC-46794
alpha-Terpineol, 90%, technical grade
Caswell No. 823
DSSTox_RID_78167
DSSTox_RID_79596
MFCD00001557
MFCD00166983
1-p-Menthen-8-ol
AI3-00275
alpha,alpha,4-Trimethyl-3-cyclohexene-1-methanol
KB-223071
LS-148797
NSC-403665
ST24039469
ST50824481
TR-030336
AKOS015840815
EPA Pesticide Chemical Code 067005
J-500272
Menth-1-en-8-ol
W-100076
BRN 1906604
FEMA No. 3045
FT-0622202
FT-0698995
98-55-5
I14-51686
d-1-p-Menthen-8-ol
p-Menth-1-en-8-ol
Tox21_112118
Tox21_200112
Tox21_302298
(+)-.alpha.-Terpineol
CAS-98-55-5
1-Methyl-4-isopropyl-1-cyclohexene-8-ol
2438-12-2
3-Cyclohexene-1-methanol,.alpha.4-trimethyl-
8000-41-7
8031-32-1
MCULE-9798755896
NCGC00164431-01
NCGC00248528-01
NCGC00255464-01
NCGC00257666-01
1-Methyl-4-isopropyl-1-cyclohexen-8-ol
3-Cyclohexene-1-methanol, alpha,alpha,4-trimethyl-
EINECS 202-680-6
EINECS 219-448-5
EINECS 232-268-1
p-Menth- 1-en-8-ol
11103-96-1
22347-88-2
37195-01-0
CAS-8000-41-7
SR-01000944873
2-(4-Methyl-3-cyclohexenyl)-2-propanol
2-(4-methylcyclohex-3-enyl)propan-2-ol
3-Cyclohexene-1-methanol, ?,?,4-trimethyl-
MolPort-002-042-108
(1)-alpha,alpha,4-Trimethylcyclohex-3-ene-1-methanol
SR-01000944873-1
68540-43-2 (hydrochloride salt)
(1R)-a,a,4-trimethyl-3-cyclohexene-1-methanol
3-Cyclohexene-1-methanol, .alpha.,.alpha.4-trimethyl-
2-(4-methylcyclohex-3-en-1-yl)propan-2-ol
3-Cyclohexene-1-methanol, .alpha.,.alpha.,4-trimethyl-
2-(4-methyl-1-cyclohex-3-enyl)-propan-2-ol
3-Cyclohexene-1-methanol, ?,?,4-trimethyl-, (R)-
3-Cyclohexene-1-methanol, ?,?,4-trimethyl-, (S)-
3-Cyclohexene-1-methanol, .alpha.,.alpha.,4-trimethyl-, (S)-
3-Cyclohexene-1-methanol, .alpha.,.alpha.,4-trimethyl-, (1R)-
3-Cyclohexene-1-methanol, .alpha.,.alpha.,4-trimethyl-, (1S)-
3-Cyclohexene-1-methanol, .alpha.,.alpha.,4-trimethyl-, sodium salt, (1S)-
3-Cyclohexene-1-methanol, .alpha.,.alpha.,4-trimethyl-, sodium salt (1:1), (1S)-
Microorganism:

Yes

IUPAC name2-(4-methylcyclohex-3-en-1-yl)propan-2-ol
SMILESCC1=CCC(CC1)C(C)(C)O
InchiInChI=1S/C10H18O/c1-8-4-6-9(7-5-8)10(2,3)11/h4,9,11H,5-7H2,1-3H3
FormulaC10H18O
PubChem ID17100
Molweight154.253
LogP2.17
Atoms29
Bonds29
H-bond Acceptor1
H-bond Donor1
Chemical ClassificationAlcohols terpenes

mVOC Specific Details

Volatilization
The Henry's Law constant for alpha-terpineol is reported as 2.23X10-6 atm-cu m/mole(1). This Henry's Law constant indicates that alpha-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 20 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 150 days(SRC). alpha-Terpineol's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). alpha-Terpineol is not expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 0.0423 mm Hg at 24 deg C(3).
Literature: (1) Copolovici LO, Niinemets U; Chemosphere 61: 1390-400 (2005) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (3) Li J, Perdue, EM; Preprints of Papers Presented at the 209th ACS National Meeting, Anaheim, CA, April 2-7, 1995, 35: 134-7 (1995)
Solubility
1:8 OR MORE IN 50% ALCOHOL; SOL IN PROPYLENE GLYCOL
Literature: Fenaroli's Handbook of Flavor Ingredients. Volume 2. Edited, translated, and revised by T.E. Furia and N. Bellanca. 2nd ed. Cleveland: The Chemical Rubber Co., 1975., p. 522
Literature: #Very soluble in benzene, acetone
Literature: Lide, D.R. CRC Handbook of Chemistry and Physics 88TH Edition 2007-2008. CRC Press, Taylor & Francis, Boca Raton, FL 2007, p. 3-468
Literature: #Very soluble in alcohol, ether
Literature: Lewis, R.J. Sr. (ed) Sax's Dangerous Properties of Industrial Materials. 12th Edition. Wiley-Interscience, Wiley & Sons, Inc. Hoboken, NJ. 2012., p. 4151
Literature: #In water, 7100 mg/L at 25 deg C
Literature: Li J, Perdue EM; Preprints of Papers Presented at the 209th ACS National Meeting, Anaheim, CA, April 2-7, 1995, 35: 134-7 (1995)
Soil Adsorption
Using a structure estimation method based on molecular connectivity indices(1), the Koc of alpha-terpineol can be estimated to be 80(SRC). According to a classification scheme(2), this estimated Koc value suggests that alpha-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 June 29, 2015: http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm (2) Swann RL et al; Res Rev 85: 17-28 (1983)
Vapor Pressure
PressureReference
0.0423 mm Hg at 24 deg CLi J, Perdue EM; Preprints of Papers Presented at the 209th ACS National Meeting, Anaheim, CA, April 2-7, 1995, 35: 134-7 (1995)

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
FungiHypoxylon Antochroum Blacinaendophytic in Bursera lancifoliaUlloa-Benítez et al., 2016
FungiPiptoporus BetulinusnaSachsenwald near HamburgRösecke et al., 2000
BacteriaCytophaga-Flavobacterium-Bacteroides Group Strain ARK 10063n/aDickschat et al., 2005_3
BacteriaCytophaga-Flavobacterium-Bacteroides Group Strain ARK 10267n/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
BacteriaStigmatella Aurantiaca Sg A15n/aDickschat et al., 2005_5
BacteriaBacillus Pumilus ES4promotion of performance of Chlorella sorokiniana ShihAmavizca et al. 2017
BacteriaEscherichia Coli DH5apromotion of performance of Chlorella sorokiniana ShihAmavizca et al. 2017
FungiAntrodia Cinnamomea ATCC 200183nanaLu et al., 2014
FungiGanoderma Lucidumnasaprophytic on deciduous treesZiegenbein et al., 2006
FungiSpongiporus Leucomallellusnasaprophytic mostly on wet, old pinesZiegenbein et al., 2006
BacteriaBacillus SimplexReduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.Gu et al., 2007
BacteriaBacillus SubtilisReduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.Gu et al., 2007
BacteriaBacillus WeihenstephanensisReduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.Gu et al., 2007
BacteriaMicrobacterium OxydansReduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.Gu et al., 2007
BacteriaSerratia MarcescensReduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.Gu et al., 2007
BacteriaStenotrophomonas MaltophiliaReduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.Gu et al., 2007
BacteriaStreptomyces LateritiusReduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.Gu et al., 2007
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
FungiHypoxylon Antochroum BlaciPDA/WA + 500 mg l^-1 ChloramphenicolSPME-GC/MSNo
FungiPiptoporus BetulinusnaGC/MSNo
BacteriaCytophaga-Flavobacterium-Bacteroides Group Strain ARK 10063n/an/a
BacteriaCytophaga-Flavobacterium-Bacteroides Group Strain ARK 10267n/an/a
BacteriaPseudomonas Fragi 25Pn/an/a
BacteriaSerratia Proteamaculans 42Mn/an/a
BacteriaStigmatella Aurantiaca DW4/3-1n/an/a
BacteriaStigmatella Aurantiaca Sg A15n/an/a
BacteriaBacillus Pumilus ES4TSASPME-GCno
BacteriaEscherichia Coli DH5aTSASPME-GCno
FungiAntrodia Cinnamomea ATCC 200183PDAGC/MSYes
FungiGanoderma LucidumnaGC/MSNo
FungiSpongiporus LeucomallellusnaGC/MSNo
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


2,3,5-trimethylpyrazine

Mass-Spectra

Compound Details

Synonymous names
TRIMETHYLPYRAZINE
IAEGWXHKWJGQAZ-UHFFFAOYSA-N
trimethyl pyrazine
AC1L1BXH
Q8PR0W8TIT
Pyrazine, trimethyl-
PubChem8613
UNII-Q8PR0W8TIT
KSC491G1B
ACMC-1BY58
7269AA
CTK3J1310
SCHEMBL107646
VP40007
CHEMBL320146
2,3,6-Trimethylpyrazine
2,3,5-Trimethylpyrazine
ZINC406999
CCRIS 2932
AK114354
LS-3140
ZB013735
HE143577
HE000396
DTXSID1047075
FCH1115105
SC-57940
DSSTox_GSID_47075
KB-16610
TRA0080217
AJ-22552
CJ-04110
CC-06738
AN-17422
ANW-21023
AX8010043
2,3,5-Trimethylpyrazine, analytical standard
AC-10654
DSSTox_CID_27075
MFCD00006145
C-00829
2,3,5-Trimethyl-pyrazine
2,3,5-Trimethyl pyrazine
ZINC00406999
DSSTox_RID_82089
ST51038047
ST24032258
TR-005827
RTR-005827
AI3-34442
DB-003800
Q-100171
AKOS015842577
I14-0728
FEMA No. 3244
FT-0609461
BRN 0002423
Pyrazine, 2,3,5-trimethyl
Tox21_302314
2,3,5-Trimethylpyrazine, 99%
MCULE-8809596878
Pyrazine, 2,3,5-trimethyl-
NCGC00256135-01
2,3,5-Trimethyl pyrazine (natural)
EINECS 238-712-0
14667-55-1
124765-77-1
CAS-14667-55-1
MolPort-002-497-752
2,3,5-Trimethylpyrazine, natural, >=95%, FG
2,3,5-Trimethylpyrazine, >=99%, FCC, FG
InChI=1/C7H10N2/c1-5-4-8-6(2)7(3)9-5/h4H,1-3H
Microorganism:

Yes

IUPAC name2,3,5-trimethylpyrazine
SMILESCC1=CN=C(C(=N1)C)C
InchiInChI=1S/C7H10N2/c1-5-4-8-6(2)7(3)9-5/h4H,1-3H3
FormulaC7H10N2
PubChem ID26808
Molweight122.171
LogP-0.07
Atoms19
Bonds19
H-bond Acceptor2
H-bond Donor0
Chemical ClassificationPyrazines nitrogen compounds heterocyclic compounds

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaCytophaga-Flavobacteria-Bacteroides GroupIt is involved in fruit fly attraction to bacteria.Schulz and Dickschat, 2007
BacteriaXanthomonas Campestris Pv. Vesicatoria 85-10n/aWeise et al., 2012
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
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
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 10044n/aDickschat et al., 2005_3
BacteriaCytophaga-Flavobacterium-Bacteroides Group Strain ARK 10063n/aDickschat et al., 2005_3
BacteriaCytophaga-Flavobacterium-Bacteroides Group Strain ARK 10141n/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
BacteriaEnterobacter AgglomeransRobacker and Lauzon 2002
BacteriaKlebsiella PneumoniaeAmerican Type Culture Collection Robacker and Bartelt 1997
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
BacteriaStenotrophomonas MaltophiliaclinicPreti., 2009
Fungi Aspergillus Sp.Dickschat 2024
Fungi Fusarium Sp.Dickschat 2019
FungiPleurotus CystidiosusnanaUsami et al., 2014
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaCytophaga-Flavobacteria-Bacteroides Groupn/an/a
BacteriaXanthomonas Campestris Pv. Vesicatoria 85-10NBIIClosed airflow-system/GC-MS and PTR-MS
BacteriaBacillus Simplexn/an/a
BacteriaBacillus Subtilisn/an/a
BacteriaBacillus Weihenstephanensisn/an/a
BacteriaMicrobacterium Oxydansn/an/a
BacteriaSerratia Marcescensn/an/a
BacteriaStenotrophomonas Maltophilian/an/a
BacteriaStreptomyces Lateritiusn/an/a
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
BacteriaCitrobacter Freundiitryptic soy broth SPME, GC-MSyes
BacteriaCytophaga-Flavobacterium-Bacteroides Group Strain ARK 10223n/an/a
BacteriaCytophaga-Flavobacterium-Bacteroides Group Strain ARK 10044n/an/a
BacteriaCytophaga-Flavobacterium-Bacteroides Group Strain ARK 10063n/an/a
BacteriaCytophaga-Flavobacterium-Bacteroides Group Strain ARK 10141n/an/a
BacteriaCytophaga-Flavobacterium-Bacteroides Group Strain ARK 10146n/an/a
BacteriaCytophaga-Flavobacterium-Bacteroides Group Strain ARK 10267n/an/a
BacteriaEnterobacter Agglomeransno
BacteriaKlebsiella Pneumoniaetryptic soy broth SPME, GC-MSyes
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
BacteriaStenotrophomonas MaltophiliaBlood agar/chocolate blood agaHS-SPME/GC-MS no
Fungi Aspergillus Sp.no
Fungi Fusarium Sp.no
FungiPleurotus CystidiosusnaGC/MS, GC-O, AEDANo


4,4,7a-trimethyl-6,7-dihydro-5H-1-benzofuran-2-one

Mass-Spectra

Compound Details

Synonymous names
DIHYDROACTINIDIOLIDE
dihydroactinidolide
Dihydroactinolide
IMKHDCBNRDRUEB-UHFFFAOYSA-N
( inverted exclamation markA)dihydro actinidiolide
AC1L1CQ7
M304
KSC914Q9N
CTK8B4896
CHEMBL2271411
NSC357087
HE038848
FS-3501
SCHEMBL3503557
M-8127
ANW-46618
AK-62444
AN-19303
FCH1121135
KB-00944
MFCD06409997
2-Hydroxy-2,6,6-trimethylcyclohexylideneacetic acid gamma-lactone
KB-239354
NSC-357087
RT-003609
ST24032676
AKOS015902000
4CH-007201
4CH-006512
I14-13316
(2,6,6-Trimethyl-2-hydroxycyclohexylidene)acetic acid lactone
3B1-002147
EINECS 239-390-4
15356-74-8
17092-92-1
19432-05-4
MolPort-006-121-402
4,4,7a-trimethyl-6,7-dihydro-5H-benzofuran-2-one
4,5,7,7a-Tetrahydro-4,4,7a-trimethyl-2(6H)benzofuranone
4,4,7a-trimethyl-6,7-dihydro-5H-1-benzofuran-2-one
2(4H)-Benzofuranone,6,7,7a-tetrahydro-4,4,7a-trimethyl-
5,6,7,7a-Tetrahydro-4,4,7a-trimethyl-2(4H)-benzofuranone
4,4,7a-Trimethyl-5,6,7,7a-tetrahydro-4H-Benzofuran-2-one
4,4,7a-Trimethyl-5,6,7,7a-tetrahydrobenzofuran-2(4H)-one
5,6,7,7a-Tetrahydro-4,4,7a-trimethylbenzofuran-2(4H)-one
4,4,7a-Trimethyl-5,6,7,7a-tetrahydrobenzo[b]furan-2(4H)-one
2(4H)-Benzofuranone, 5,6,7,7a-tetrahydro-4,4,7a-trimethyl-
4,4,7a-trimethyl-2,4,5,6,7,7a-hexahydro-1-benzofuran-2-one
4,4,7a-Trimethyl-5,6,7,7a-tetrahydro-1-benzofuran-2(4H)-one #
2(4H)-Benzofuranone,6,7,7a-tetrahydro-4,4,7a-trimethyl-, (S)-
2(4H)-Benzofuranone,6,7,7a-tetrahydro-4,4,7a-trimethyl-, (R)-
Microorganism:

Yes

IUPAC name4,4,7a-trimethyl-6,7-dihydro-5H-1-benzofuran-2-one
SMILESCC1(CCCC2(C1=CC(=O)O2)C)C
InchiInChI=1S/C11H16O2/c1-10(2)5-4-6-11(3)8(10)7-9(12)13-11/h7H,4-6H2,1-3H3
FormulaC11H16O2
PubChem ID27209
Molweight180.247
LogP2.57
Atoms29
Bonds30
H-bond Acceptor1
H-bond Donor0
Chemical ClassificationTerpenes Lactone Alkenes esters

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaCalothrix Spp.n/aSchulz and Dickschat, 2007
BacteriaCytophaga-Flavobacteria-Bacteroides Groupn/aSchulz and Dickschat, 2007
BacteriaCytophaga-Flavobacterium-Bacteroides Group Strain ARK 10063n/aDickschat et al., 2005_3
BacteriaPhormidium Sp.n/aSchulz and Dickschat, 2007
BacteriaPlectoneman/aSchulz and Dickschat, 2007
BacteriaStigmatella Aurantiacan/aSchulz and Dickschat, 2007
BacteriaStigmatella Aurantiaca DW4/3-1n/aDickschat et al., 2005_5
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaCalothrix Spp.n/an/a
BacteriaCytophaga-Flavobacteria-Bacteroides Groupn/an/a
BacteriaCytophaga-Flavobacterium-Bacteroides Group Strain ARK 10063n/an/a
BacteriaPhormidium Sp.n/an/a
BacteriaPlectoneman/an/a
BacteriaStigmatella Aurantiacan/an/a
BacteriaStigmatella Aurantiaca DW4/3-1n/an/a


2,5-dimethylpyrazine

Mass-Spectra

Compound Details

Synonymous names
LCZUOKDVTBMCMX-UHFFFAOYSA-N
2,5-Dimethylparadiazine
AC1L1L8P
25R
2.5-dimethylpyrazine
2,5-DIMETHYLPYRAZINE
PubChem8608
2,5-Dimethylpiazine
V99Y0MUY1Q
U038
KSC174O4P
ZINC3182
2,5-Dimethylpyrazine, analytical standard
UNII-V99Y0MUY1Q
SCHEMBL82304
CHEMBL94709
CTK0H4747
D2171
PYRAZINE,2,5-DIMETHYL
D1526
2,5-Dimethyl pyrazine
2,5-Dimethyl-pyrazine
RP18895
RL01064
NSC49139
CCRIS 2929
HE141986
HE019470
SY011379
LS-2694
DTXSID6047652
ZB000534
SBB058647
BC651592
A805045
M-6330
CHEBI:89762
SC-47137
ST2409163
NSC 49139
2,5-Dimethylpyrazine (natural)
NSC-49139
AJ-08168
AK-33017
TL8006998
AN-22913
ANW-41979
BR-33017
AC-10703
CJ-00091
ZINC00003182
MFCD00006147
RTC-020270
AI3-60303
DB-003236
2,5-dimethylpyrazine and 2,6-dimethylpyrazine
TC-020270
KB-225969
ST45024376
2,5-Dimethylpyrazine, 98%
Pyrazine, 2,5-dimethyl-
AKOS003368403
Q-100107
I14-0729
FT-0610477
FEMA No. 3272
123-32-0
F0001-0364
2,5(2,6)-dimethylpyrazine mixture
WLN: T6N DNJ B1 E1
2,5-Dimethyl-1,4-diazine
NCGC00184236-02
NCGC00184236-01
MCULE-2763393473
2,5-Dimethylpyrazine, >=98%, FG
EINECS 204-618-3
2,5 and 2,6-dimethyl pyrazine
MolPort-001-769-724
2,5-Dimethyl Pyrazine; 2,5-Dimethyl-1,4-diazine
InChI=1/C6H8N2/c1-5-3-8-6(2)4-7-5/h3-4H,1-2H
Microorganism:

Yes

IUPAC name2,5-dimethylpyrazine
SMILESCC1=CN=C(C=N1)C
InchiInChI=1S/C6H8N2/c1-5-3-8-6(2)4-7-5/h3-4H,1-2H3
FormulaC6H8N2
PubChem ID31252
Molweight108.144
LogP-0.2
Atoms16
Bonds16
H-bond Acceptor2
H-bond Donor0
Chemical ClassificationPyrazines nitrogen compounds heterocyclic compounds

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaAlcaligenes Faecalisn/aZou et al., 2007
BacteriaArthrobacter Nitroguajacoliusn/aZou et al., 2007
BacteriaBacillus Spp.n/aZou et al., 2007
BacteriaLysobacter Gummosusn/aZou et al., 2007
BacteriaSporosarcina Ginsengisolin/aZou et al., 2007
BacteriaStenotrophomonas Maltophilian/aZou et al., 2007
BacteriaArthrobacter Agilis UMCV2narhizosphere of maize plantsVelázquez-Becerra et al.,2011
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
BacteriaChondromyces Crocatus Cm C5n/aSchulz et al., 2004
BacteriaCitrobacter FreundiiAmerican Type Culture Collection Robacker and Bartelt 1997
BacteriaCytophaga-Flavobacteria-Bacteroides GroupIt is involved in fruit fly attraction to bacteria.Schulz and Dickschat, 2007
BacteriaCytophaga-Flavobacterium-Bacteroides Group Strain ARK 10223n/aDickschat et al., 2005_3
BacteriaCytophaga-Flavobacterium-Bacteroides Group Strain ARK 10044n/aDickschat et al., 2005_3
BacteriaCytophaga-Flavobacterium-Bacteroides Group Strain ARK 10063n/aDickschat et al., 2005_3
BacteriaCytophaga-Flavobacterium-Bacteroides Group Strain ARK 10141n/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
BacteriaEnterobacter AgglomeransRobacker and Lauzon 2002
BacteriaKlebsiella PneumoniaeAmerican Type Culture Collection Robacker and Bartelt 1997
BacteriaOctadecabacter Sp. ARK10255bn/aDickschat et al., 2005_3
BacteriaPseudomonas Aeruginosa PA01nanaBriard et al., 2016
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
BacteriaSerratia Spp. B2675n/aBruce et al., 2004
BacteriaSerratia Spp. B675n/aBruce et al., 2004
BacteriaStaphylococcus AureusRobacker and Flath 1995
BacteriaStaphylococcus Sciurinafrom the gut flora of pea aphid Acyrthosiphon pisum honeydewLeroy et al., 2011
BacteriaXanthomonas Campestris Pv. Vesicatoria 85-10n/aWeise et al., 2012
Fungi Aspergillus Sp.Dickschat 2023
Fungi Fusarium Sp.Dickschat 2018
FungiPleurotus CystidiosusnanaUsami et al., 2014
FungiSaccharomyces Cerevisiae Y1001n/aBruce et al., 2004
BacteriaPseudomonas Putida BP25nablack pepper rootSheoran et al., 2015
BacteriaPseudomonas Putida BP25Rpositive influence of the plant root growth and protection against soil-borne pathogensSheoran et al., 2015
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaAlcaligenes Faecalisn/an/a
BacteriaArthrobacter Nitroguajacoliusn/an/a
BacteriaBacillus Spp.n/an/a
BacteriaLysobacter Gummosusn/an/a
BacteriaSporosarcina Ginsengisolin/an/a
BacteriaStenotrophomonas Maltophilian/an/a
BacteriaArthrobacter Agilis UMCV2NA mediumSPME-GC/MSNo
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
BacteriaChondromyces Crocatus Cm C5n/an/a
BacteriaCitrobacter Freundiitryptic soy broth SPME, GC-MSyes
BacteriaCytophaga-Flavobacteria-Bacteroides Groupn/an/a
BacteriaCytophaga-Flavobacterium-Bacteroides Group Strain ARK 10223n/an/a
BacteriaCytophaga-Flavobacterium-Bacteroides Group Strain ARK 10044n/an/a
BacteriaCytophaga-Flavobacterium-Bacteroides Group Strain ARK 10063n/an/a
BacteriaCytophaga-Flavobacterium-Bacteroides Group Strain ARK 10141n/an/a
BacteriaCytophaga-Flavobacterium-Bacteroides Group Strain ARK 10146n/an/a
BacteriaCytophaga-Flavobacterium-Bacteroides Group Strain ARK 10267n/an/a
BacteriaEnterobacter Agglomeransno
BacteriaKlebsiella Pneumoniaetryptic soy broth SPME, GC-MSyes
BacteriaOctadecabacter Sp. ARK10255bn/an/a
BacteriaPseudomonas Aeruginosa PA01minimal medium/ Brian mediumSPME-GC/MSNo
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
BacteriaSerratia Spp. B2675n/an/a
BacteriaSerratia Spp. B675n/an/a
BacteriaStaphylococcus Aureusno
BacteriaStaphylococcus Sciuri875 liquid mediumSPME-GC/MS
BacteriaXanthomonas Campestris Pv. Vesicatoria 85-10NBIIClosed airflow-system/GC-MS and PTR-MS
Fungi Aspergillus Sp.no
Fungi Fusarium Sp.no
FungiPleurotus CystidiosusnaGC/MS, GC-O, AEDANo
FungiSaccharomyces Cerevisiae Y1001n/an/a
BacteriaPseudomonas Putida BP25Luria Bertani AgarHeadspace GC/MSNo
BacteriaPseudomonas Putida BP25RTSBPropak Q adsorbent trap/GC-MS


Pentadecan-2-one

Mass-Spectra

Compound Details

Synonymous names
Pentadecanone
CJPNOLIZCWDHJK-UHFFFAOYSA-N
Methyl tridecyl ketone
SSV
2-PENTADECANONE
AC1L1UYR
Pentadecan-2-one
1569AB
P1063
CTK1A3861
SCHEMBL336157
ACMC-209g3f
B2Q48J997N
DTXSID6062333
LP006644
CHEMBL3273567
CHEBI:89254
ZINC1850860
UNII-B2Q48J997N
AX8077970
ST2419773
ACM2345280
AK-86074
ANW-25129
AN-19908
LMFA12000056
MFCD00053712
AI3-11706
RT-000810
KB-174026
AKOS009157795
2-Pentadecanone, >=98.5%
J-015112
FEMA No. 3724
FT-0613261
2-Pentadecanone, >=98%, FG
I14-49263
2345-28-0
EINECS 219-064-8
(3e,5e,7e,9e,11e,13e)-Pentadeca-3,5,7,9,11,13-Hexaen-2-One
Microorganism:

Yes

IUPAC namepentadecan-2-one
SMILESCCCCCCCCCCCCCC(=O)C
InchiInChI=1S/C15H30O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15(2)16/h3-14H2,1-2H3
FormulaC15H30O
PubChem ID61303
Molweight226.404
LogP5.7
Atoms46
Bonds45
H-bond Acceptor1
H-bond Donor0
Chemical ClassificationKetones Ketone

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaBacillus Strain D13antibacterialsoil Malaysia and Tibet, China General Microbial culture center CGMCCXie et al. 2016
BacteriaBurkholderia Ambifaria LMG 19182Groenhagen et al., 2013
BacteriaCollimonas Fungivorans Ter331n/aGarbeva et al., 2013
BacteriaCorynebacterium Accolens V12028clinical isolateLemfack et al. 2016
BacteriaCorynebacterium Jeikeum V12131clinical isolateLemfack et al. 2016
BacteriaCorynebacterium Jeikeum V12209clinical isolateLemfack et al. 2016
BacteriaCorynebacterium Minutissimum ATCC 23348clinical isolate,trunk of adult femaleLemfack et al. 2016
BacteriaCorynebacterium Striatum RV2clinical isolateLemfack et al. 2016
BacteriaCorynebacterium Striatum V6894clinical isolateLemfack et al. 2016
BacteriaPseudomonas Brassicacearum USB2104narhizosphere of bean plants, southern ItalyGiorgio et al., 2015
BacteriaPseudomonas Syringae S22naphyllosphere of field-grown potato plantsHunziker et al., 2015
BacteriaSerratia Marcescens Db11n/aWeise et al., 2014
BacteriaSerratia Odorifera DSM 4582n/aWeise et al., 2014
BacteriaSerratia Plymuthica 4Rx13n/aWeise et al., 2014
BacteriaSerratia Plymuthica AS9n/aWeise et al., 2014
BacteriaSerratia Plymuthica PRI-2Cnamaize rhizosphere, NetherlandsGarbeva et al., 2014
BacteriaSerratia Proteamaculans 568n/aWeise et al., 2014
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 V405clinical isolateLemfack et al. 2016
BacteriaStaphylococcus Sciuri Yclinical isolateLemfack et al. 2016
BacteriaStaphylococcus Warneri CCM 2730clinical isolate,human skinLemfack et al. 2016
Fungi Fusarium SolaniTakeuchi et al. 2014
FungiPleurotus CystidiosusnanaUsami et al., 2014
BacteriaCytophaga-Flavobacterium-Bacteroides (CFB)Mn/aSchulz and Dickschat, 2007
BacteriaCytophaga-Flavobacterium-Bacteroides Group Strain ARK 10223n/aDickschat et al., 2005_3
BacteriaCytophaga-Flavobacterium-Bacteroides Group Strain ARK 10044n/aDickschat et al., 2005_3
BacteriaCytophaga-Flavobacterium-Bacteroides Group Strain ARK 10063n/aDickschat et al., 2005_3
BacteriaCytophaga-Flavobacterium-Bacteroides Group Strain ARK 10141n/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
BacteriaXanthomonas Campestris Pv. Vesicatoria 85-10n/aWeise et al., 2012
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaBacillus Strain D13LBSPME-GC-MSyes
BacteriaBurkholderia Ambifaria LMG 19182Luria-Bertani medium, Malt ExtractYes
BacteriaCollimonas Fungivorans Ter331Headspace trapping/GC-MS
BacteriaCorynebacterium Accolens V12028brain heart infusion mediumPorapak / GC/MSno
BacteriaCorynebacterium Jeikeum V12131brain heart infusion mediumPorapak / GC/MSno
BacteriaCorynebacterium Jeikeum V12209brain heart infusion mediumPorapak / GC/MSno
BacteriaCorynebacterium Minutissimum ATCC 23348brain heart infusion mediumPorapak / GC/MSno
BacteriaCorynebacterium Striatum RV2brain heart infusion mediumPorapak / GC/MSno
BacteriaCorynebacterium Striatum V6894brain heart infusion mediumPorapak / GC/MSno
BacteriaPseudomonas Brassicacearum USB2104King's B AgarSPME-GC/MSNo
BacteriaPseudomonas Syringae S22LB mediumGC/MSYes
BacteriaSerratia Marcescens Db11NBIIHeadspace trapping/ GC-MS
BacteriaSerratia Odorifera DSM 4582NBIIHeadspace trapping/ GC-MS
BacteriaSerratia Plymuthica 4Rx13NBIIHeadspace trapping/ GC-MS
BacteriaSerratia Plymuthica AS9NBIIHeadspace trapping/ GC-MS
BacteriaSerratia Plymuthica PRI-2Csand containing artificial root exudatesGC/MSNo
BacteriaSerratia Proteamaculans 568NBIIHeadspace trapping/ 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 V405brain heart infusion mediumPorapak / GC/MSno
BacteriaStaphylococcus Sciuri Ybrain heart infusion mediumPorapak / GC/MSno
BacteriaStaphylococcus Warneri CCM 2730brain heart infusion mediumPorapak / GC/MSno
Fungi Fusarium Solanino
FungiPleurotus CystidiosusnaGC/MS, GC-O, AEDANo
BacteriaCytophaga-Flavobacterium-Bacteroides (CFB)Mn/an/a
BacteriaCytophaga-Flavobacterium-Bacteroides Group Strain ARK 10223n/an/a
BacteriaCytophaga-Flavobacterium-Bacteroides Group Strain ARK 10044n/an/a
BacteriaCytophaga-Flavobacterium-Bacteroides Group Strain ARK 10063n/an/a
BacteriaCytophaga-Flavobacterium-Bacteroides Group Strain ARK 10141n/an/a
BacteriaCytophaga-Flavobacterium-Bacteroides Group Strain ARK 10146n/an/a
BacteriaCytophaga-Flavobacterium-Bacteroides Group Strain ARK 10267n/an/a
BacteriaXanthomonas Campestris Pv. Vesicatoria 85-10NBIIClosed airflow-system/GC-MS and PTR-MS


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

Mass-Spectra

Compound Details

Synonymous names
Isocamphol
Isoborneol
Exoborneol
Isobornyl alcohol
DTGKSKDOIYIVQL-UHFFFAOYSA-N
Borneol
Sumatra camphor
Borneol Flakes
Borneo camphor
DL-Isoborneol
Bornyl alcohol
d-Borneol
Endo-2-hydroxycamphane
2-Bornanol
BORNEOL(ISO)
endo-2-Bornanol
AC1L21QK
Endo-2-camphanol
ACMC-1BKR6
DL-2-Bornanol
KSC270E0L
Isoborneol, DL-
2-exo-Bornyl alcohol
SCHEMBL56714
Borneol, exo-
CTK1H0205
V0292
CCRIS 6550
C01411
OR275178
BT000182
STK298903
CHEMBL1097205
BBL028096
OR229259
OR196027
OR019964
Jsp001628
AK305640
DTXSID8048159
BORNEOL, (L)
CHEBI:28093
NSC 26350
LS-45113
TRA0054032
(+)-Borneol
AN-45103
ANW-30448
(-)-Borneol
Borneol, contains ca. 40% Isoborneol
MFCD00066427
ST50308199
KB-295969
RTR-017407
ST24033578
TR-017407
TR-018141
DB-070732
DB-051843
CCG-231498
AKOS017278270
L-(-)-BORNEOL
AKOS000120036
BRN 2038056
4CH-024084
1,7,7-trimethylnorbornan-2-ol
Z966690516
I14-45306
exo-2-Hydroxy-1,7,7-trimethylnorbornane
I14-16551
(+/-)-Isoborneol
507-70-0
464-43-7
124-76-5
(+/-)-borneol
6627-72-1
MCULE-1539689950
EINECS 207-352-6
10385-78-1
SR-05000002386
MolPort-000-710-471
SR-05000002386-1
4,7,7-trimethylbicyclo[2.2.1]heptan-3-ol
1,7,7-Trimethylbicyclo[2.2.1]heptan-2-ol
1,7,7-Trimethylbicyclo(2.2.1)heptan-2-ol
Endo-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
exo-1,7,7-Trimethylbicyclo(2.2.1)-2-heptanol
exo-1,7,7-Trimethylbicyclo(2.2.1)heptan-2-ol
1,7,7-trimethyl-bicyclo[2.2.1]heptan-6-ol
Bicyclo(2.2.1)heptan-2-ol, 1,7,7-trimethyl-
1,7,7-Trimethylbicyclo[2.2.1]heptan-2-ol, exo- #
endo-(1R)-1,7,7-Trimethylbicyclo[2.2.1]heptan-2-ol
Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, exo-
Bicyclo(2.2.1)heptan-2-ol, 1,7,7-trimethyl-, (1R-endo)-
Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, (1S,2R,4S)-
Bicyclo(2.2.1)heptan-2-ol, 1,7,7-trimethyl-, (1R,2R,4R)-rel-
Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, (1R,2R,4R)-rel-
Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, (1R,2S,4R)-rel-
Bicyclo(2.2.1)heptan-2-ol, 1,7,7-trimethyl-, endo-(.+/-.)-
Microorganism:

Yes

IUPAC name4,7,7-trimethylbicyclo[2.2.1]heptan-3-ol
SMILESCC1(C2CCC1(C(C2)O)C)C
InchiInChI=1S/C10H18O/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7-8,11H,4-6H2,1-3H3
FormulaC10H18O
PubChem ID64685
Molweight154.253
LogP1.99
Atoms29
Bonds30
H-bond Acceptor1
H-bond Donor1
Chemical ClassificationTerpenes Alcohols

mVOC Specific Details

Boiling Point
DegreeReference
212 deg CLarranaga, M.D., Lewis, R.J. Sr., Lewis, R.A.; Hawley's Condensed Chemical Dictionary 16th Edition. John Wiley & Sons, Inc. Hoboken, NJ 2016., p. 196
Volatilization
The Henry's Law constant for borneol is estimated as 1.38X10-5 atm-cu m/mole(SRC) derived from its vapor pressure, 5.0210-2 mm Hg(1), and water solubility, 738 mg/L(2). This Henry's Law constant indicates that borneol is expected to volatilize from water surfaces(3). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec)(3) is estimated as 2.2 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)(3) is estimated as 29 days(SRC). Borneol's estimated Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). Borneol is not expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 5.02X10-2 mm Hg(1).
Literature: (1) Fichan I et al; J Chem Eng Data 44: 56-62 (1999) (2) Yalkowsky SH et al; Handbook of Aqueous Solubility Data 2nd ed., CRC Press, Boca Raton, FL p. 727 (2010) (3) 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, 738 mg/L at 25 deg C
Literature: Yalkowsky, S.H., He, Yan, Jain, P. Handbook of Aqueous Solubility Data Second Edition. CRC Press, Boca Raton, FL 2010, p. 727
Literature: #Slightly soluble in propylene glycol
Literature: Burdock, G.A. (ed.). Fenaroli's Handbook of Flavor Ingredients. 6th ed.Boca Raton, FL 2010, p. 170
Literature: #Soluble in alcohol and ether
Literature: Larranaga, M.D., Lewis, R.J. Sr., Lewis, R.A.; Hawley's Condensed Chemical Dictionary 16th Edition. John Wiley & Sons, Inc. Hoboken, NJ 2016., p. 196
Soil Adsorption
Using a structure estimation method based on molecular connectivity indices(1), the Koc of borneol can be estimated to be 76(SRC). According to a classification scheme(2), this estimated Koc value suggests that borneol 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 June 30, 2016: http://www2.epa.gov/tsca-screening-tools (2) Swann RL et al; Res Rev 85: 17-28 (1983)
Vapor Pressure
PressureReference
5.02X10-2 mm Hg at 25 deg CFichan I et al; J Chem Eng Data, 44: 56-62(1999)

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaCytophaga-Flavobacteria-Bacteroides Groupn/aSchulz and Dickschat, 2007
BacteriaCytophaga-Flavobacterium-Bacteroides Group Strain ARK 10063n/aDickschat et al., 2005_3
BacteriaNannocystis Exedens Subsp. Cinnabarina Na C29n/aDickschat et al., 2007
BacteriaSerratia Proteamaculans 42Mn/aErcolini et al., 2009
FungiGanoderma Lucidumnasaprophytic on deciduous treesZiegenbein et al., 2006
Method


4-(1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptan-6-yl)but-3-en-2-one

Compound Details

Synonymous names
AC1L3KYV
CTK8H7253
AN-17967
EINECS 245-542-0
4-(1,2-Epoxy-2,6,6-trimethylcyclohexyl)-3-butenone-2
4-(1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptan-6-yl)but-3-en-2-one
4-(2,2,6-Trimethyl-7-oxabicyclo(4.1.0)hept-1-yl)-3-buten-2-one
3-Buten-2-one, 4-(2,2,6-trimethyl-7-oxabicyclo(4.1.0)hept-1-yl)-
3-Buten-2-one, 4-(2,2,6-trimethyl-7-oxabicyclo[4.1.0]hept-1-yl)-
Microorganism:

Yes

IUPAC name4-(1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptan-6-yl)but-3-en-2-one
SMILESCC(=O)C=CC12C(CCCC1(O2)C)(C)C
InchiInChI=1S/C13H20O2/c1-10(14)6-9-13-11(2,3)7-5-8-12(13,4)15-13/h6,9H,5,7-8H2,1-4H3
FormulaC13H20O2
PubChem ID90899
Molweight208.301
LogP2.8
Atoms35
Bonds36
H-bond Acceptor2
H-bond Donor0
Chemical ClassificationTerpenes Ethers Ketones Alkenes

mVOC Specific Details


Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaCytophaga-Flavobacterium-Bacteroides Group Strain ARK 10063n/aDickschat et al., 2005_3
BacteriaBiofilms A (Rivularia Sp./Calothrix Parietina Community)n/aHoeckelmann et al., 2004
BacteriaCalothrix Parietina PCC 6303n/aHoeckelmann et al., 2004
BacteriaCalothrix Sp.n/aHoeckelmann et al., 2004
BacteriaCalothrix Spp.n/aSchulz and Dickschat, 2007
BacteriaCyanobacterian/aHoeckelmann et al., 2004
BacteriaCytophaga-Flavobacteria-Bacteroides Groupn/aSchulz and Dickschat, 2007
BacteriaPhormidium Sp.n/aSchulz and Dickschat, 2007
BacteriaPlectoneman/aSchulz and Dickschat, 2007
BacteriaPlectonema Notatumn/aHoeckelmann et al., 2004
BacteriaPlectonema Sp.n/aHoeckelmann et al., 2004
BacteriaRivularia Sp.n/aHoeckelmann et al., 2004
BacteriaSpirulina Platensisn/aSchulz and Dickschat, 2007
BacteriaTolypothrix Distortan/aHoeckelmann et al., 2004
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaCytophaga-Flavobacterium-Bacteroides Group Strain ARK 10063n/an/a
BacteriaBiofilms A (Rivularia Sp./Calothrix Parietina Community)n/an/a
BacteriaCalothrix Parietina PCC 6303n/an/a
BacteriaCalothrix Sp.n/an/a
BacteriaCalothrix Spp.n/an/a
BacteriaCyanobacterian/an/a
BacteriaCytophaga-Flavobacteria-Bacteroides Groupn/an/a
BacteriaPhormidium Sp.n/an/a
BacteriaPlectoneman/an/a
BacteriaPlectonema Notatumn/an/a
BacteriaPlectonema Sp.n/an/a
BacteriaRivularia Sp.n/an/a
BacteriaSpirulina Platensisn/an/a
BacteriaTolypothrix Distortan/an/a


Compound Details

Synonymous names
Isolongipholene
Isolongifolene
trans-Isolongifolene
CQUAYTJDLQBXCQ-UHFFFAOYSA-N
AC1L2T2C
(-)-Isolongifoline
PL001072
AN-48692
AKOS015901700
FT-0694511
I14-14688
2,3A-ethanoindan, 3a,4,5,6-tetrahydro-1,1,4,4-tetramethyl-
2,2,7,7-TETRAMETHYLTRICYCLO[6.2.1.0(1),?]UNDEC-5-ENE
2H-2,4a-Methanonaphthalene, 1,3,4,5,6,7-hexahydro-1,1,5,5-tetramethyl-
2H-2,4a-Methanonaphthalene, 1,3,4,5,6,7-hexahydro-1,1,5,5-tetramethyl-, (2S)-
2H-2,4a-Methanonaphthalene, 1,3,4,5,6,7-hexahydro-1,1,5,5-tetramethyl-, (2S-cis)-
2H-2,4a-Methanonaphthalene, 1,3,4,5,6,7-hexahydro-1,1,5,5-tetramethyl-, (2S,4aR)-(-)-
2H-2,4a-Methanonaphthalene, 1,3,4,5,6,7-hexahydro-1,1,5,5-tetramethyl-, (2S,4aR)-
Microorganism:

Yes

IUPAC name
SMILESCC1(CCC=C2C13CCC(C3)C2(C)C)C
InchiInChI=1S/C15H24/c1-13(2)8-5-6-12-14(3,4)11-7-9-15(12,13)10-11/h6,11H,5,7-10H2,1-4H3
FormulaC15H24
PubChem ID102562
Molweight204.357
LogP4.11
Atoms39
Bonds41
H-bond Acceptor0
H-bond Donor0
Chemical ClassificationTerpenes

mVOC Specific Details


Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaCytophaga-Flavobacterium-Bacteroides Group Strain ARK 10063n/aDickschat et al., 2005_3
BacteriaCytophaga-Flavobacterium-Bacteroides Group Strain ARK 10267n/aDickschat et al., 2005_3
BacteriaStreptomyces Sp. GWS-BW-H5.n/aDickschat et al., 2005_2
FungiCU Fusarium Oxysporum Oxysporum MSA 35the results led us to propose a possible new direct long-distance mechanism of action for WT antagonistic F. oxysporum that is mediated by vocsMinerdi et al., 2009
FungiFusarium Oxysporum MSA 35long-distance antagonistic actionMinerdi et al. 2009
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaCytophaga-Flavobacterium-Bacteroides Group Strain ARK 10063n/an/a
BacteriaCytophaga-Flavobacterium-Bacteroides Group Strain ARK 10267n/an/a
BacteriaStreptomyces Sp. GWS-BW-H5.n/an/a
FungiCU Fusarium Oxysporum Oxysporum MSA 35complete medium (CM)SPME/GC-MS
FungiFusarium Oxysporum MSA 35PDA/CMCAR/PDMS GCMSno


1,1,7-trimethyl-5,6,8,9,9a,10-hexahydro-4H-tricyclo[6.3.1.0^{1,5}]dodecane

Mass-Spectra

Compound Details

Synonymous names
MKZIRHIVARSBHI-UHFFFAOYSA-N
Cloven
CLOVENE
AC1LAVA6
3a,7-Methano-3aH-cyclopentacyclooctene, 1,4,5,6,7,8,9,9a-octahydro-1,1,7.beta.-trimethyl-
3a,7-Methano-3aH-cyclopentacyclooctene, 1,4,5,6,7,8,9,9a-octahydro-1,1,7-trimethyl-, [3aR-(3a.alpha.,7.alpha.,9a.beta.)]-
Microorganism:

Yes

IUPAC name1,1,7-trimethyl-5,6,8,9,9a,10-hexahydro-4H-tricyclo[6.3.1.0^{1,5}]dodecane
SMILESCC1(C=CC23C1CCC(C2)(CCC3)C)C
InchiInChI=1S/C15H24/c1-13(2)9-10-15-7-4-6-14(3,11-15)8-5-12(13)15/h9-10,12H,4-8,11H2,1-3H3
FormulaC15H24
PubChem ID521210
Molweight204.357
LogP4.32
Atoms39
Bonds41
H-bond Acceptor0
H-bond Donor0
Chemical ClassificationTerpenes Alkenes

mVOC Specific Details


Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaCytophaga-Flavobacterium-Bacteroides Group Strain ARK 10063n/aDickschat et al., 2005_3
BacteriaCytophaga-Flavobacterium-Bacteroides Group Strain ARK 10267n/aDickschat et al., 2005_3
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaCytophaga-Flavobacterium-Bacteroides Group Strain ARK 10063n/an/a
BacteriaCytophaga-Flavobacterium-Bacteroides Group Strain ARK 10267n/an/a


(E)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-one

Mass-Spectra

Compound Details

Synonymous names
beta-Cyclocitrylideneacetone
PSQYTAPXSHCGMF-BQYQJAHWSA-N
.beta.-Cyclocitrylideneacetone
AC1LCVGO
BETA-IONONE
beta-Ionon
trans-beta-Ionone
beta-Ionone, analytical standard
A7NRR1HLH6
beta-E-Ionone
IONONE, BETA
AC1Q1JB4
UNII-A7NRR1HLH6
Nat. Beta Ionone
UNII-QP734LIN1K component PSQYTAPXSHCGMF-BQYQJAHWSA-N
.beta.-Ionene
.beta.-Ionone
SCHEMBL23953
CHEMBL559945
LS-871
NSC46137
trans-.beta.-Ionone
BDBM181139
C12287
CCRIS 6249
HSDB 8269
(E)-beta-Ionone
AK116682
AK155870
AM806748
BBL009828
beta-Ionone, 96%
DTXSID4021769
Jsp002814
NSC402758
OR048073
OR342596
SBB017514
STK801279
CHEBI:32325
DSSTox_CID_1769
Z-1830
ZINC3881456
AJ-46632
AN-19278
DSSTox_GSID_21769
FCH2253011
FCH4510490
NSC-46137
5,7-Megastigmadien-9-one
BB_NC-0321
DSSTox_RID_76315
MFCD00001549
ZINC03881456
Ionone, .beta.-
KB-186187
KB-237357
NSC 402758
NSC-402758
RTR-006010
ST24035055
ST50306954
TR-006010
WT-131223
9-apo-beta-caroten-9-one
AKOS000121023
BB_NC-00321
J-008542
W-104258
4CH-024696
FT-0622918
FT-0627280
FT-0670401
.beta.-Ionone isomer # 1
.beta.-Ionone isomer # 2
79-77-6
I14-13931
I14-18323
BBV-75856003
Tox21_201454
Tox21_302862
US9144538, beta-Ionone
beta-Ionone, natural, >=85%, FG
CAS-79-77-6
8013-90-9
NCGC00248145-01
NCGC00248145-02
NCGC00256534-01
NCGC00259005-01
US9138393, ?-Ionone
EINECS 238-969-9
EINECS 288-959-3
14901-07-6
85949-43-5
EC 201-224-3
EC 238-969-9
beta-Ionone, predominantly trans, >=97%, FCC, FG
MolPort-001-783-113
1353674-22-2
beta-Ionone, natural (US), >=85%, FG
beta-Ionone, purum, >=95.0% (GC)
WLN: L6UTJ A1U1V1 B1 F1 F1
2-07-00-00140 (Beilstein Handbook Reference)
4-(2,6-Trimethyl-1-cyclohexenyl)-3-buten-2-one
3-Buten-2-one,6,6-trimethyl-1-cyclohexen-1-yl)-
4-(2,6,6-Trimethyl-1-cyclohexenyl)-3-buten-2-one
4-(2,6,6-trimethyl-1-cyclohexenyl)but-3-en-2-one
4-(2,6-Trimethyl-1-cyclohexen-l-yl)-3-buten-2-one
4-(2,6-Trimethyl-1-cyclohexen-1-yl)-3-buten-2-one
4-(2,6,6-Trimethyl-1-cyclohexen-l-yl)-3-buten-2-one
4-(2,6,6-trimethyl-1-cyclohexene-1-yl)-3-buten-2-one
4-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-3-buten-2-one
4-(2,6,6-Trimethylcyclohex-1-en-1-yl)but-3-en-2-one
4-[2,6,6-Trimethyl-1-cyclohexen-1-yl]-3-buten-2-one
(E)-4-(2,6,6-trimethylcyclohex-1-enyl)but-3-en-2-one
(E)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-one
(3E)-4-(2,6,6-trimethylcyclohex-1-enyl)but-3-en-2-one
4-(2,6,6-Trimethylcyclohex-1-ene-1-yl)-but-3-ene-2-one
(E)-4-(2,6,6-trimethyl-1-cyclohexenyl)-but-3-en-2-one
3-Buten-2-one, 4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-
(E)-4-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-3-buten-2-one|
(E)-4-(2,6,6-Trimethylcyclohex-1-en-1-yl)but-3-en-2-one
(3E)-4-(2,6,6-trimethylcyclohex-1-en-1-yl)but-3-en-2-one
4-(2,6,6-Trimethyl-1(or 2)-cyclohexen-1-yl)-3-buten-2-one
(3E)-4-(2,6,6-trimethylcyclohex-1-en-1-yl) but-3-en-2-one
3-Buten-2-one, 4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, (E)
3-Buten-2-one, 4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, (E)-
3-Buten-2-one, 4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, (3E)-
4-(2,6,6-Ey(1/4)x>>u-1->>.(1/4) masculineI(c)>>u)-3- paragraph sign inverted exclamation markI(c)-2-I feminine
InChI=1/C13H20O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h7-8H,5-6,9H2,1-4H3/b8-7
Microorganism:

Yes

IUPAC name(E)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-one
SMILESCC1=C(C(CCC1)(C)C)C=CC(=O)C
InchiInChI=1S/C13H20O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h7-8H,5-6,9H2,1-4H3/b8-7+
FormulaC13H20O
PubChem ID638014
Molweight192.302
LogP3.28
Atoms34
Bonds34
H-bond Acceptor1
H-bond Donor0
Chemical ClassificationTerpenes Ketones Alkenes

mVOC Specific Details

Volatilization
The Henry's Law constant for beta-ionone is estimated as 8.1X10-5 atm-cu m/mole(SRC) derived from its vapor pressure, 0.054 mm Hg(1), and water solubility, 169 mg/L(1). This Henry's Law constant indicates that beta-ionone is expected to volatilize from water surfaces(2). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec)(2) is estimated as 19 hours(SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(2) is estimated as 10 days(SRC). beta-Ionone's estimated Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). Even though the vapor pressure is low environmentally at standard temperature and pressure, there is a detectable odor; therefore, beta-ionone may volatilize from dry soil(SRC).
Literature: (1) Fichan I et al; J Chem Eng Data 44: 56-62 (1999) (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 beta-ionone can be estimated to be 670(SRC). According to a classification scheme(2), this estimated Koc value suggests that beta-ionone is expected to have low mobility in soil.
Literature: (1) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.11. Nov, 2012. Available from, as of July 13, 2015: http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm (2) Swann RL et al; Res Rev 85: 17-28 (1983)
Vapor Pressure
PressureReference
0.054 mm Hg at 25 deg CFichan I et al; J Chem Eng Data 44: 56-62 (1999)
MS-Links

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaBiofilms A (Rivularia Sp./Calothrix Parietina Community)n/aHoeckelmann et al., 2004
BacteriaCalothrix Parietina PCC 6303n/aHoeckelmann et al., 2004
BacteriaCalothrix Spp.n/aSchulz and Dickschat, 2007
BacteriaCyanobacterian/aHoeckelmann et al., 2004
BacteriaCytophaga-Flavobacteria-Bacteroides Groupn/aSchulz and Dickschat, 2007
BacteriaCytophaga-Flavobacterium-Bacteroides Group Strain ARK 10063n/aDickschat et al., 2005_3
BacteriaOscillatoria Perornatan/aSchulz and Dickschat, 2007
BacteriaPhormidium Sp.n/aSchulz and Dickschat, 2007
BacteriaPlectoneman/aSchulz and Dickschat, 2007
BacteriaPlectonema Notatumn/aHoeckelmann et al., 2004
BacteriaPlectonema Sp.n/aHoeckelmann et al., 2004
BacteriaRivularia Sp.n/aHoeckelmann et al., 2004
BacteriaTolypothrix Distortan/aHoeckelmann et al., 2004
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaBiofilms A (Rivularia Sp./Calothrix Parietina Community)n/an/a
BacteriaCalothrix Parietina PCC 6303n/an/a
BacteriaCalothrix Spp.n/an/a
BacteriaCyanobacterian/an/a
BacteriaCytophaga-Flavobacteria-Bacteroides Groupn/an/a
BacteriaCytophaga-Flavobacterium-Bacteroides Group Strain ARK 10063n/an/a
BacteriaOscillatoria Perornatan/an/a
BacteriaPhormidium Sp.n/an/a
BacteriaPlectoneman/an/a
BacteriaPlectonema Notatumn/an/a
BacteriaPlectonema Sp.n/an/a
BacteriaRivularia Sp.n/an/a
BacteriaTolypothrix Distortan/an/a


(4E)-4,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undec-4-ene

Compound Details

Synonymous names
Caryophyllene
trans-Caryophyllene
NPNUFJAVOOONJE-IZZDOVSWSA-N
L-Caryophyllene
AC1NS5Q9
E-.beta.-caryophyllene
NSC11906
(-)-Caryophyllene
NSC-11906
CARYOPHYLLENE ,ALPHA + BETA MIXT.
(E)-.beta.-Caryophylene
(+)(E)-Caryophyllene
87-44-5
.beta.-Caryophyllene, (-)
MolPort-028-929-265
8-Methylene-4,11-(trimethyl)bicyclo[7.2.0]undec-4-ene
(4E)-4,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undec-4-ene
Bicyclo[7.2.0]undec-4-ene,11,11-trimethyl-8-methylene-, [1R-(1R*,4E,9S*)]-
Bicyclo[7.2.0]undec-4-ene,11,11-trimethyl-, (E)-(1R,9S)-(-)-
Bicyclo[7.2.0]undec-4-ene,11,11-trimethyl-8-methylene-, (E)-(1R,9S)-(-)-
Microorganism:

Yes

IUPAC name(4E)-4,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undec-4-ene
SMILESCC1=CCCC(=C)C2CC(C2CC1)(C)C
InchiInChI=1S/C15H24/c1-11-6-5-7-12(2)13-10-15(3,4)14(13)9-8-11/h6,13-14H,2,5,7-10H2,1,3-4H3/b11-6+
FormulaC15H24
PubChem ID5354499
Molweight204.357
LogP4.52
Atoms39
Bonds40
H-bond Acceptor0
H-bond Donor0
Chemical ClassificationTerpenes Alkenes

mVOC Specific Details


Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaCytophaga-Flavobacterium-Bacteroides Group Strain ARK 10063n/aDickschat et al., 2005_3
BacteriaCytophaga-Flavobacterium-Bacteroides Group Strain ARK 10267n/aDickschat et al., 2005_3
FungiTrichoderma AtrovirideCrutcher et al., 2013
FungiTrichoderma ReeseiCrutcher et al., 2013
FungiTrichoderma VirensCrutcher et al., 2013
FungiAntrodia Cinnamomea ATCC 200183nanaLu et al., 2014
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaCytophaga-Flavobacterium-Bacteroides Group Strain ARK 10063n/an/a
BacteriaCytophaga-Flavobacterium-Bacteroides Group Strain ARK 10267n/an/a
FungiTrichoderma AtroviridePotato dextrose agarHS-SPME/GC-MS no
FungiTrichoderma ReeseiPotato dextrose agarHS-SPME/GC-MS no
FungiTrichoderma VirensPotato dextrose agarHS-SPME/GC-MS no
FungiAntrodia Cinnamomea ATCC 200183PDAGC/MSYes


13-methyltetradecan-2-one

Compound Details

Synonymous names
SCHEMBL8896028
Microorganism:

Yes

IUPAC name13-methyltetradecan-2-one
SMILESCC(C)CCCCCCCCCCC(=O)C
InchiInChI=1S/C15H30O/c1-14(2)12-10-8-6-4-5-7-9-11-13-15(3)16/h14H,4-13H2,1-3H3
FormulaC15H30O
PubChem ID19931290
Molweight226.404
LogP5.54
Atoms46
Bonds45
H-bond Acceptor1
H-bond Donor0
Chemical ClassificationKetones

mVOC Specific Details


Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaCytophaga-Flavobacterium-Bacteroides (CFB)n/aSchulz and Dickschat, 2007
BacteriaCytophaga-Flavobacterium-Bacteroides Group Strain ARK 10223n/aDickschat et al., 2005_3
BacteriaCytophaga-Flavobacterium-Bacteroides Group Strain ARK 10044n/aDickschat et al., 2005_3
BacteriaCytophaga-Flavobacterium-Bacteroides Group Strain ARK 10063n/aDickschat et al., 2005_3
BacteriaCytophaga-Flavobacterium-Bacteroides Group Strain ARK 10141n/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
BacteriaXanthomonas Campestris Pv. Vesicatoria 85-10n/aWeise et al., 2012
Method


Compound Details

Synonymous names
RGQOHKMKTPQXIW-UHFFFAOYSA-N
11-Methyl-2-tridecanone
SCHEMBL12527525
Microorganism:

Yes

IUPAC name
SMILES
Inchi
Formula
PubChem ID88931680
Molweight212.377
LogP5.09
Atoms43
Bonds42
H-bond Acceptor1
H-bond Donor0
Chemical Classificationketones

mVOC Specific Details


Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaStaphylococcus Epidermidis ATCC 12228Lemfack et al. 2016
BacteriaStaphylococcus Epidermidis ATCC 14990clinical isolate,noseLemfack et al. 2016
BacteriaStaphylococcus Epidermidis DSM 3269clinical isolate,catheterLemfack et al. 2016
BacteriaStaphylococcus Epidermidis RP62Aclinical isolate,catheterLemfack et al. 2016
BacteriaStaphylococcus Haemolyticus CCM 2729clinical isolate,human skinLemfack et al. 2016
BacteriaStaphylococcus Saccharolyticus B5709clinical isolateLemfack et al. 2016
BacteriaStaphylococcus Schleiferi DSMZ 4807clinical isolateLemfack et al. 2016
BacteriaStaphylococcus Schleiferi H34clinical isolateLemfack et al. 2016
BacteriaStaphylococcus Schleiferi V431clinical isolateLemfack et al. 2016
BacteriaStaphylococcus Sciuri ATCC 29061Southernflying squirrel skinLemfack et al. 2016
BacteriaStaphylococcus Sciuri H4286clinical isolateLemfack et al. 2016
BacteriaStaphylococcus Sciuri ORclinical isolateLemfack et al. 2016
BacteriaStaphylococcus Warneri CCM 2730clinical isolate,human skinLemfack et al. 2016
BacteriaStreptomyces Sp. GWS-BW-H5.n/aDickschat et al., 2005_2
BacteriaCytophaga-Flavobacterium-Bacteroides (CFB)n/aSchulz and Dickschat, 2007
BacteriaCytophaga-Flavobacterium-Bacteroides Group Strain ARK 10223n/aDickschat et al., 2005_3
BacteriaCytophaga-Flavobacterium-Bacteroides Group Strain ARK 10044n/aDickschat et al., 2005_3
BacteriaCytophaga-Flavobacterium-Bacteroides Group Strain ARK 10063n/aDickschat et al., 2005_3
BacteriaCytophaga-Flavobacterium-Bacteroides Group Strain ARK 10141n/aDickschat et al., 2005_3
BacteriaCytophaga-Flavobacterium-Bacteroides Group Strain ARK 10267n/aDickschat et al., 2005_3
BacteriaStigmatella Aurantiacan/aSchulz and Dickschat, 2007
BacteriaStreptomyces Caviscabiesn/aSchulz and Dickschat, 2007
BacteriaXanthomonas Campestris Pv. Vesicatoria 85-10n/aphyllosphere of the plant (Capsicum sp.)Weise et al., 2012
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaStaphylococcus Epidermidis ATCC 12228brain heart infusion mediumPorapak / GC/MSno
BacteriaStaphylococcus Epidermidis ATCC 14990brain heart infusion mediumPorapak / GC/MSno
BacteriaStaphylococcus Epidermidis DSM 3269brain heart infusion mediumPorapak / GC/MSno
BacteriaStaphylococcus Epidermidis RP62Abrain heart infusion mediumPorapak / GC/MSno
BacteriaStaphylococcus Haemolyticus CCM 2729brain heart infusion mediumPorapak / GC/MSno
BacteriaStaphylococcus Saccharolyticus B5709brain heart infusion mediumPorapak / GC/MSno
BacteriaStaphylococcus Schleiferi DSMZ 4807brain heart infusion mediumPorapak / GC/MSno
BacteriaStaphylococcus Schleiferi H34brain heart infusion mediumPorapak / GC/MSno
BacteriaStaphylococcus Schleiferi V431brain heart infusion mediumPorapak / GC/MSno
BacteriaStaphylococcus 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 Warneri CCM 2730brain heart infusion mediumPorapak / GC/MSno
BacteriaStreptomyces Sp. GWS-BW-H5.n/an/a
BacteriaCytophaga-Flavobacterium-Bacteroides (CFB)n/an/a
BacteriaCytophaga-Flavobacterium-Bacteroides Group Strain ARK 10223n/an/a
BacteriaCytophaga-Flavobacterium-Bacteroides Group Strain ARK 10044n/an/a
BacteriaCytophaga-Flavobacterium-Bacteroides Group Strain ARK 10063n/an/a
BacteriaCytophaga-Flavobacterium-Bacteroides Group Strain ARK 10141n/an/a
BacteriaCytophaga-Flavobacterium-Bacteroides Group Strain ARK 10267n/an/a
BacteriaStigmatella Aurantiacan/an/a
BacteriaStreptomyces Caviscabiesn/an/a
BacteriaXanthomonas Campestris Pv. Vesicatoria 85-10NBIIThe bacteria was grow at 30°C in closed airflow-system for VOCs collection VOCs were analyzed by GC/MS and PTR-MS


13-methylpentadecan-2-one

Compound Details

Synonymous names
SCHEMBL11893269
Microorganism:

Yes

IUPAC name13-methylpentadecan-2-one
SMILESCCC(C)CCCCCCCCCCC(=O)C
InchiInChI=1S/C16H32O/c1-4-15(2)13-11-9-7-5-6-8-10-12-14-16(3)17/h15H,4-14H2,1-3H3
FormulaC16H32O
PubChem ID88850022
Molweight240.431
LogP5.98
Atoms49
Bonds48
H-bond Acceptor1
H-bond Donor0
Chemical Classificationketones

mVOC Specific Details


Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaCytophaga-Flavobacterium-Bacteroides (CFB)n/aSchulz and Dickschat, 2007
BacteriaCytophaga-Flavobacterium-Bacteroides Group Strain ARK 10223n/aDickschat et al., 2005_3
BacteriaCytophaga-Flavobacterium-Bacteroides Group Strain ARK 10044n/aDickschat et al., 2005_3
BacteriaCytophaga-Flavobacterium-Bacteroides Group Strain ARK 10063n/aDickschat et al., 2005_3
BacteriaCytophaga-Flavobacterium-Bacteroides Group Strain ARK 10141n/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
BacteriaXanthomonas Campestris Pv. Vesicatoria 85-10n/aphyllosphere of the plant (Capsicum sp.)Weise et al., 2012
Method