Results for:
Species: Chondromyces crocatus Cm c5

Phenylmethanol

Mass-Spectra

Compound Details

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

mVOC Specific Details

Volatilization
The Henry's Law constant for benzyl alcohol is 3.37X10-7 atm cu m/mole(1). This Henry's Law constant indicates that benzyl alcohol is expected to be essentially nonvolatile from water and moist soil surfaces(2). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec)(2) is estimated as 113 days(SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(2) is estimated as 825 days(SRC). Benzyl alcohol's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). Benzyl alcohol is not expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 9.4X10-2 mm Hg(3).
Literature: (1) Abraham MH et al; J Pharm Sci 83: 1085-100 (1994) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (3) Daubert TE, Danner RP; Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, DC: Taylor and Francis (1989)
Soil Adsorption
Experimental Koc values for benzyl alcohol were <5 for three different soils; Apison (0.11% organic carbon), Fullerton (0.06% organic carbon), and Dormont (1.2% organic carbon)(1). An experimental Koc of 15 was determined for benzyl alcohol on a red-brown Australian soil (1.09% organic carbon)(2,3). A log Koc of 1.43 has also been reported(4). According to a classification scheme(5), these Koc values suggest that benzyl alcohol is expected to have very high mobility in soil.
Literature: (1) Southworth GR, Keller JL; Water Air Soil Poll 28: 239-48 (1986) (2) Briggs GG; Aust J Soil Res 19: 61-8 (1981) (3) Briggs GG; J Agric Food Chem 29: 1050-9 (1981) (4) Xu F et al; J Environ Qual 30: 1618-23 (2001) (5) Swann RL et al; Res Rev 85: 17-28 (1983)
Vapor Pressure
PressureReference
0.094 mm Hg at 25 deg CDaubert, T.E., R.P. Danner. Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, D.C.: Taylor and Francis, 1989.
MS-Links
1D-NMR-Links

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaLactobacillus Casei NCIB 8010n/aTracey and Britz, 1989
BacteriaLactobacillus Plantarum NCIB 6376n/aTracey and Britz, 1989
BacteriaLactococcus Lactis DSM 20202n/aTracey and Britz, 1989
BacteriaLeuconostoc Cremoris DSM 20346n/aTracey and Britz, 1989
BacteriaLeuconostoc Dextranicum DSM 20484n/aTracey and Britz, 1989
BacteriaLeuconostoc Mesenteroides DSM 20343n/aTracey and Britz, 1989
BacteriaLeuconostoc Oenos B66n/aTracey and Britz, 1989
BacteriaLeuconostoc Oenos 19n/aTracey and Britz, 1989
BacteriaLeuconostoc Oenos 30n/aTracey and Britz, 1989
BacteriaLeuconostoc Oenos 36n/aTracey and Britz, 1989
BacteriaLeuconostoc Oenos 37Dn/aTracey and Britz, 1989
BacteriaLeuconostoc Oenos 7Bn/aTracey and Britz, 1989
BacteriaLeuconostoc Oenos DSM 20252n/aTracey and Britz, 1989
BacteriaLeuconostoc Oenos DSM 20255n/aTracey and Britz, 1989
BacteriaLeuconostoc Oenos DSM 20257n/aTracey and Britz, 1989
BacteriaLeuconostoc Oenos Lc5xn/aTracey and Britz, 1989
BacteriaLeuconostoc Paramesenteroides DSM 20288n/aTracey and Britz, 1989
BacteriaPediococcus Damnosus DSM 20331n/aTracey and Britz, 1989
BacteriaChondromyces Crocatus Cm C2n/aSchulz et al., 2004
BacteriaChondromyces Crocatus Cm C5n/aSchulz et al., 2004
BacteriaCytophaga-Flavobacteria-Bacteroides Groupn/aSchulz and Dickschat, 2007
BacteriaCytophaga-Flavobacterium-Bacteroides Group Strain ARK 10267n/aDickschat et al., 2005_3
BacteriaMyxobacterium Spp.n/aSchulz and Dickschat, 2007
BacteriaNannocystis Exedens Na EB37n/aDickschat et al., 2007
BacteriaNannocystis Exedens Subsp. Cinnabarina Na C29n/aDickschat et al., 2007
BacteriaPropionibacterium Acidifaciens DSM 21887 as a biomarker for a breath test for detection of cariesHertel et al., 2015
BacteriaPseudomonas Syringae S22naphyllosphere of field-grown potato plantsHunziker et al., 2015
BacteriaStigmatella Aurantiaca DW4/3-1n/aDickschat et al., 2005_5
BacteriaStigmatella Aurantiaca Sg A15n/aDickschat et al., 2005_5
BacteriaStreptomyces Sp. GWS-BW-H5.n/aDickschat et al., 2005_2
BacteriaStreptomyces Spp.n/aSchulz and Dickschat, 2007
FungiAgaricus EssetteiRapior et al. 2002
FungiAscocoryne Sarcoides NRRL 50072n/aMallette et al. 2012
FungiBjerkandera Adusta CBS 595.78n/aLapadatescu et al., 2000
FungiPhellinus Sp.n/aStotzky and Schenk, 1976
FungiPolyporus Tuberaster K2606 culture collection Takara Shuzo Food Research LaboratoriesKawabe et al. 1994
BacteriaBranhamella CatatthalisclinicPreti., 2009
BacteriaHaemophilus InfluenzaeclinicPreti., 2009
BacteriaStreptococcus PneumoniaeclinicPreti., 2009
BacteriaXanthomonas Campestris Pv. Vesicatoria 85-10n/aWeise et al., 2012
Fungi Dickschat 2017
Fungi Bjerkandera AdustaSpinnler at al. 1994
FungiPleurotus CystidiosusnanaUsami et al., 2014
FungiPleurotus Eryngii Var. TuoliensisnanaUsami et al., 2014
BacteriaBacillus Cereus B-569n/aBlom et al., 2011
BacteriaBurkholderia Andropogonis LMG 2129n/aBlom et al., 2011
BacteriaBurkholderia Caribensis LMG 18531n/aBlom et al., 2011
BacteriaBurkholderia Caryophylli LMG 2155n/aBlom et al., 2011
BacteriaBurkholderia Fungorum LMG 16225n/aBlom et al., 2011
BacteriaBurkholderia Gladioli LMG 2216n/aBlom et al., 2011
BacteriaBurkholderia Glumae LMG 2196n/aBlom et al., 2011
BacteriaBurkholderia Graminis LMG 18924n/aBlom et al., 2011
BacteriaBurkholderia Hospita LMG 20598n/aBlom et al., 2011
BacteriaBurkholderia Kururiensis LMG 19447n/aBlom et al., 2011
BacteriaBurkholderia Phenazinium LMG 2247n/aBlom et al., 2011
BacteriaBurkholderia Phytofirmans LMG 22487n/aBlom et al., 2011
BacteriaBurkholderia Pyrrocinia LMG 21822n/aBlom et al., 2011
BacteriaBurkholderia Sacchari LMG 19450n/aBlom et al., 2011
BacteriaCellulomonas Udan/aBlom et al., 2011
BacteriaEscherichia Coli OP50n/aBlom et al., 2011
BacteriaPseudomonas Chlororaphisn/aBlom et al., 2011
BacteriaPseudomonas Fluorescens WCS 417rn/aBlom et al., 2011
BacteriaPseudomonas Putida ISOfn/aBlom et al., 2011
BacteriaSerratia Entomophilia A1MO2n/aBlom et al., 2011
BacteriaSerratia Marcescens MG1n/aBlom et al., 2011
BacteriaSerratia Plymuthica HRO-C48n/aBlom et al., 2011
BacteriaSerratia Proteamaculans B5an/aBlom et al., 2011
FungiTuber BorchiiNoneT. melanosporum, T. borchii were collected from northern Italy (Piedmont) and T. indicum from Yunnan and Sichuan Provinces (China). Splivallo et al., 2007b
FungiTuber IndicumNoneT. melanosporum, T. borchii were collected from northern Italy (Piedmont) and T. indicum from Yunnan and Sichuan Provinces (China). Splivallo et al., 2007b
FungiTuber MelanosporumNoneT. melanosporum, T. borchii were collected from northern Italy (Piedmont) and T. indicum from Yunnan and Sichuan Provinces (China). Splivallo et al., 2007b
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaLactobacillus Casei NCIB 8010n/an/a
BacteriaLactobacillus Plantarum NCIB 6376n/an/a
BacteriaLactococcus Lactis DSM 20202n/an/a
BacteriaLeuconostoc Cremoris DSM 20346n/an/a
BacteriaLeuconostoc Dextranicum DSM 20484n/an/a
BacteriaLeuconostoc Mesenteroides DSM 20343n/an/a
BacteriaLeuconostoc Oenos B66n/an/a
BacteriaLeuconostoc Oenos 19n/an/a
BacteriaLeuconostoc Oenos 30n/an/a
BacteriaLeuconostoc Oenos 36n/an/a
BacteriaLeuconostoc Oenos 37Dn/an/a
BacteriaLeuconostoc Oenos 7Bn/an/a
BacteriaLeuconostoc Oenos DSM 20252n/an/a
BacteriaLeuconostoc Oenos DSM 20255n/an/a
BacteriaLeuconostoc Oenos DSM 20257n/an/a
BacteriaLeuconostoc Oenos Lc5xn/an/a
BacteriaLeuconostoc Paramesenteroides DSM 20288n/an/a
BacteriaPediococcus Damnosus DSM 20331n/an/a
BacteriaChondromyces Crocatus Cm C2n/an/a
BacteriaChondromyces Crocatus Cm C5n/an/a
BacteriaCytophaga-Flavobacteria-Bacteroides Groupn/an/a
BacteriaCytophaga-Flavobacterium-Bacteroides Group Strain ARK 10267n/an/a
BacteriaMyxobacterium Spp.n/an/a
BacteriaNannocystis Exedens Na EB37n/an/a
BacteriaNannocystis Exedens Subsp. Cinnabarina Na C29n/an/a
BacteriaPropionibacterium Acidifaciens DSM 21887Brain-Heart-Infusion agarTenaxâ„¢-trap/GC-MS
BacteriaPseudomonas Syringae S22LB mediumGC/MSYes
BacteriaStigmatella Aurantiaca DW4/3-1n/an/a
BacteriaStigmatella Aurantiaca Sg A15n/an/a
BacteriaStreptomyces Sp. GWS-BW-H5.n/an/a
BacteriaStreptomyces Spp.n/an/a
FungiAgaricus Essetteihydro-destillation, solvent extraction, GC-MSno
FungiAscocoryne Sarcoides NRRL 50072Minimal mediumPTR-MS and SPME GC-MS
FungiBjerkandera Adusta CBS 595.78Minimal media plus glucose and L-phenylalanineExtraction with dichloromethane or with ethyl acetate, concentration under N2 stream /GC-MS.
FungiPhellinus Sp.n/an/a
FungiPolyporus Tuberaster K2606PGYGC-MSno
BacteriaBranhamella CatatthalisBlood agar/chocolate blood agaHS-SPME/GC-MS no
BacteriaHaemophilus InfluenzaeBlood agar/chocolate blood agaHS-SPME/GC-MS no
BacteriaStreptococcus PneumoniaeBlood agar/chocolate blood agaHS-SPME/GC-MS no
BacteriaXanthomonas Campestris Pv. Vesicatoria 85-10NBIIClosed airflow-system/GC-MS and PTR-MS
Fungi no
Fungi Bjerkandera Adustano
FungiPleurotus CystidiosusnaGC/MS, GC-O, AEDANo
FungiPleurotus Eryngii Var. TuoliensisnaGC/MS, GC-O, AEDANo
BacteriaBacillus Cereus B-569LBHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Andropogonis LMG 2129LB, MR-VP, MS and AngleHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Caribensis LMG 18531LBHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Caryophylli LMG 2155LB and MS Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Fungorum LMG 16225LBHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Gladioli LMG 2216LB, MR-VP, MS and AngleHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Glumae LMG 2196LB and MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Graminis LMG 18924LB and MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Hospita LMG 20598LB and MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Kururiensis LMG 19447MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Phenazinium LMG 2247LB and MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Phytofirmans LMG 22487LB, MR-VP, MS and AngleHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Pyrrocinia LMG 21822LBHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Sacchari LMG 19450LB, MR-VP and MSHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaCellulomonas UdaLB and MS Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaEscherichia Coli OP50LB, MR-VP and MS Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaPseudomonas ChlororaphisLB, MR-VP and MS Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaPseudomonas Fluorescens WCS 417rLBHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaPseudomonas Putida ISOfLB and MS Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaSerratia Entomophilia A1MO2MS Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaSerratia Marcescens MG1MS Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaSerratia Plymuthica HRO-C48MS Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaSerratia Proteamaculans B5aLB, MR-VP and MS Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
FungiTuber BorchiiNoneNoneYes
FungiTuber IndicumNoneNoneYes
FungiTuber MelanosporumNoneNoneYes


Methyl 2-hydroxybenzoate

Mass-Spectra

Compound Details

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

mVOC Specific Details

Volatilization
The Henry's Law constant for methyl salicylate is 9.3X10-7 atm-cu-m/mol(SRC) calculated from its vapor pressure, 0.0343 mm Hg(1), and water solubility, 7400 mg/L(2). Using this value for the Henry's Law constant, one can estimate a volatilization half-life of 49 days in a model river 1 m deep flowing at 1 m/s with a wind speed of 3 m/s(3). Similarly, the volatilization half-life of methyl salicylate from a model lake 1 m deep, with a 0.05 m/s current and a 0.5 m/s wind is estimated to be 359 days. Methyl salicylate sprayed onto air-dried soil volatilizes rapidly(4). The amount of chemical that is adsorbed to the soil, evaporates more slowly by a diffusion-controlled mechanism(4).
Literature: (1) Daubert TE, Danner RP; Data Compilation Tables of Properties of Pure Compounds NY, NY: Amer Inst for Phys Prop Data (1989) (2) Riddick JA et al; Organic Solvents 4th ed; NY, NY: Wiley (1986) (3) Lyman WJ et al (eds); Handbook of Chemical Property Estimation Methods, NY: McGraw-Hill Chapt 15 (1982) (4) Reichman R et al; Soil Sci 148: 191-8 (1989)
Soil Adsorption
The Koc for methyl salicylate estimated from molecular structure is 128(1) and is 33(3,SRC) estimated from its water solubility, 7400 mg/L(2), using a regression equation. According to a suggested classification scheme(4), these low Koc values suggest that methyl salicylate would be highly or very highly mobile in soil(SRC).
Literature: (1) Meylan WM et al; Environ Sci Technol 26: 1560-7 (1992) (2) Riddick JA et al; Organic Solvents 4th ed; NY, NY: Wiley (1986) (3) Lyman WJ et al ; Handbook of Chemical Property Estimation Methods, NY: McGraw-Hill Chapt 4 (1982) (4) Swann RL et al; Res Rev 85: 17-28 (1983)
Vapor Pressure
PressureReference
Vapor pressure = 0.0343 mm Hg @ 25 deg CDaubert, T.E., R.P. Danner. Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, D.C.: Taylor and Francis, 1989.
MS-Links
1D-NMR-Links

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaChondromyces Crocatusn/aSchulz and Dickschat, 2007
BacteriaChondromyces Crocatus Cm C2n/aSchulz et al., 2004
BacteriaChondromyces Crocatus Cm C5n/aSchulz et al., 2004
BacteriaCollimonas Pratensis Ter91n/aGarbeva et al., 2013
BacteriaStigmatella Aurantiacan/aSchulz and Dickschat, 2007
BacteriaStigmatella Aurantiaca Sg A15n/aDickschat et al., 2005_5
FungiPhellinus Sp.n/aStotzky and Schenk, 1976
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaChondromyces Crocatusn/an/a
BacteriaChondromyces Crocatus Cm C2n/an/a
BacteriaChondromyces Crocatus Cm C5n/an/a
BacteriaCollimonas Pratensis Ter91Headspace trapping/GC-MS
BacteriaStigmatella Aurantiacan/an/a
BacteriaStigmatella Aurantiaca Sg A15n/an/a
FungiPhellinus Sp.n/an/a


2-phenylethanol

Mass-Spectra

Compound Details

Synonymous names
Hydroxyethylbenzene
Phenethylalcohol
Benzeneethanol
Benzylcarbinol
Benzylmethanol
betaphenylethyl alcohol
Benzenethanol
Phenylethanol
beta-Fenethylalkohol
Phenethanol
Phenylethyl alcohol
beta-Fenylethanol
beta-Phenylethanol
Phenethyl alcohol
WRMNZCZEMHIOCP-UHFFFAOYSA-N
2-Hydroxyethylbenzene
benzene-ethanol
Benzyl carbinol
beta-Phenylethyl alcohol
Mellol
PEL
Phenyl ethyl alcohol
2-PHENYLETHANOL
.beta.-Hydroxyethylbenzene
2-Phenethanol
2-Phenylethyl alcohol
AC1Q7CJQ
AC1Q7CJR
beta-PEA
2-Phenethyl alcohol
ACMC-1AZIH
b-pea
Phenethyl Alcohol-d5
Phenyl Ethanol(Natural)
.beta.-Fenethylalkohol
.beta.-Fenylethanol
.beta.-Phenylethanol
2-phenyl ethanol
2-PHENYL-ETHANOL
AC1L1LP9
AC1Q1HG6
beta-Fenethylalkohol [Czech]
.beta.-Phenethanol
.beta.-Phenylethyl alcohol
2-PEA
Methanol, benzyl-
Phenethyl alcohol (natural)
Phenylethyl Alcohol, pharmaceutical secondary standard; traceable to USP
Phenylethyl, beta- alcohol
SCHEMBL1838
.beta.-Phenethyl alcohol
2-Phenylethanol, USP
beta-Fenylethanol [Czech]
KSC237A2B
Phenylethyl alcohol (USP)
S992
PHENYLETHYL, B- ALCOHOL
BDBM85807
ML9LGA7468
P0084
W6811
WLN: Q2R
.beta.-PEA
AS00558
CHEMBL448500
DB02192
NE10237
Phenylethyl alcohol, United States Pharmacopeia (USP) Reference Standard
RL04267
1-Phenyl-2-ethanol
2-phenyl-1-ethanol
2-Phenylethan-1-Ol
bmse000659
C05853
D00192
HMS2093H05
HMS2233H06
HMS3374P04
HSDB 5002
UNII-ML9LGA7468
ZINC895934
2-(2-Hydroxyethyl)benzene
2-Phenylethanol, 99%
BC213746
DTXSID9026342
FEMA Number 2858
LS-2335
NSC_6054
NSC406252
NSC759116
OR034298
OR213561
OR262447
OR279817
SBB040879
STL281950
ZB015067
A832606
CHEBI:49000
DSSTox_CID_6342
Ethanol, 2-phenyl-
AC-18484
AK-59815
AN-23631
ANW-13578
Caswell No. 655C
DSSTox_GSID_26342
EBD2219942
KB-59529
Rose oil (Salt/Mix)
SC-46713
STOCK1N-73254
DSSTox_RID_78104
MFCD00002886
ZINC00895934
AI3-00744
CCG-213419
NSC 406252
NSC-406252
NSC-759116
RTR-037232
ST50214476
TR-037232
AKOS000249688
EPA Pesticide Chemical Code 001503
I01-4509
Q-200318
BRN 1905732
FEMA No. 2858
MLS001066349
MLS001336026
SMR000059156
60-12-8
Z234896351
EN300-19347
ETHYL, 2-HYDROXY-1-PHENYL-
Tox21_113544
Tox21_201322
Tox21_303383
F0001-1575
Phenethyl alcohol, >=99%, FCC, FG
.beta.-P.E.A.
CAS_60-12-8
CAS-60-12-8
1321-27-3
MCULE-8439044075
NCGC00166215-01
NCGC00166215-02
NCGC00166215-03
NCGC00166215-05
NCGC00257347-01
NCGC00258874-01
AB00698274_05
EINECS 200-456-2
Pharmakon1600-01505398
2-Phenylethanol, 98% 250g
Phenethyl alcohol, natural, >=99%, FCC, FG
SR-01000763553
Tox21_113544_1
SBI-0206858.P001
2-Phenylethanol, >=99.0% (GC)
MolPort-000-872-041
12472-EP2287158A1
12472-EP2311801A1
12472-EP2316826A1
12472-EP2372017A1
37330-EP2284157A1
37330-EP2311802A1
37330-EP2311803A1
37330-EP2371814A1
47427-EP2295426A1
47427-EP2295427A1
47427-EP2305673A1
47427-EP2308877A1
47427-EP2311834A1
47427-EP2374783A1
66877-EP2270505A1
66877-EP2281823A2
66877-EP2292612A2
66877-EP2295406A1
66877-EP2298731A1
66877-EP2298772A1
66877-EP2308839A1
196135-EP2272972A1
196135-EP2272973A1
196135-EP2277872A1
SR-01000763553-2
4-06-00-03067 (Beilstein Handbook Reference)
0DE4CADC-AB8A-4038-BD6F-EBD009885652
InChI=1/C8H10O/c9-7-6-8-4-2-1-3-5-8/h1-5,9H,6-7H
IUPAC name2-phenylethanol
SMILESC1=CC=C(C=C1)CCO
InchiInChI=1S/C8H10O/c9-7-6-8-4-2-1-3-5-8/h1-5,9H,6-7H2
FormulaC8H10O
PubChem ID6054
Molweight122.167
LogP1.49
Atoms19
Bonds19
H-bond Acceptor1
H-bond Donor1
Chemical ClassificationBenzenoids Alcohols Alcohol

mVOC Specific Details

Volatilization
The Henry's Law constant for 2-phenylethanol estimated from its vapor pressure, 0.0868 mm Hg at 25 deg C(1), and water solubility, 16,000 mg/L(2), is 1.5X10-7 atm-cu m/mol(SRC). Using this value for the Henry's Law constant, one can estimate a volatilization half-life of 2-phenylethanol in a model river 1 m deep flowing at 1 m/s with a wind speed of 3 m/s is 46.5 days(3,SRC). 2-Phenylethanol's relatively low Henry's Law constant and vapor pressure suggest that volatilization from moist and dry soil surfaces will be minimal(SRC).
Literature: (1) Daubert TE, Danner RP; Data Compilation Tables of Properties of Pure Compounds NY, NY: Amer Inst for Phys Prop Data (1989) (2) Valvani SC et al; J Pharm Sci 70: 502-7 (1981) (3) Lyman WJ et al; Handbook of Chemical Property Estimation Methods, NY: McGraw-Hill Chapt 15 (1982)
Soil Adsorption
Using an estimation method based on molecular connectivity indices(1), the Koc for 2-phenylethanol is estimated to be 29(SRC). According to a suggested classification scheme(2), this Koc value suggests that 2-phenylethanol will have very high mobility in soil(SRC).
Literature: (1) Meylan WM et al; Environ Sci Technol 28: 459-65 (1992) (2) Swann RL et al; Res Rev 85: 23 (1983)
Vapor Pressure
PressureReference
8.68X10-2 mm Hg @ 25 deg C /from experimentally derived coefficients/Daubert, T.E., R.P. Danner. Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, D.C.: Taylor and Francis, 1989.
MS-Links
1D-NMR-Links

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaStaphylococcus AureusNational collection of type cultures (NCTC) UKTait et al., 2014
BacteriaStaphylococcus Aureusn/aPreti et. al., 2009
Fungi Aspergillus Sp.Seifert and Kling 1982
Fungi Chaetomium GlobosumKikuchi et al. 1983
Fungi Fusarium Sp.Takeuchi et al. 2012
Fungi Hypoxylon AnthochroumUlloa-Benitez et al. 2016
Fungi Lasiodiplodia TheobromaeMatsumoto and Nago 1994
Fungi Penicillium SppBrock and Dickschat 2013
Fungi Trichoderman Sp.Stoppacher et al. 2010
Fungi Tuber SppSplivallo et al. 2007
BacteriaArctic Bacteriumn/aSchulz and Dickschat, 2007
BacteriaBacillus Cereus B-569n/aBlom et al., 2011
BacteriaBurkholderia Andropogonis LMG 2129n/aBlom et al., 2011
BacteriaBurkholderia Caledonica LMG 19076n/aBlom et al., 2011
BacteriaBurkholderia Caribensis LMG 18531n/aBlom et al., 2011
BacteriaBurkholderia Caryophylli LMG 2155n/aBlom et al., 2011
BacteriaBurkholderia Cepacia LMG 1222n/aBlom et al., 2011
BacteriaBurkholderia Cepacia LMG 1222 358RhizosphereBlom et al., 2011
BacteriaBurkholderia Fungorum LMG 16225n/aBlom et al., 2011
BacteriaBurkholderia Gladioli LMG 2216n/aBlom et al., 2011
BacteriaBurkholderia Glumae LMG 2196n/aBlom et al., 2011
BacteriaBurkholderia Graminis LMG 18924n/aBlom et al., 2011
BacteriaBurkholderia Hospita LMG 20598n/aBlom et al., 2011
BacteriaBurkholderia Kururiensis LMG 19447n/aBlom et al., 2011
BacteriaBurkholderia Lata LMG 6993n/aBlom et al., 2011
BacteriaBurkholderia Phenazinium LMG 2247n/aBlom et al., 2011
BacteriaBurkholderia Phenoliruptrix LMG 22037n/aBlom et al., 2011
BacteriaBurkholderia Phytofirmans LMG 22487n/aBlom et al., 2011
BacteriaBurkholderia Pyrrocinia LMG 21822n/aBlom et al., 2011
BacteriaBurkholderia Sacchari LMG 19450n/aBlom et al., 2011
BacteriaBurkholderia Sordidicola LMG 22029n/aBlom et al., 2011
BacteriaBurkholderia Terricola LMG 20594n/aBlom et al., 2011
BacteriaBurkholderia Thailandensis LMG 20219n/aBlom et al., 2011
BacteriaBurkholderia Xenovorans LMG 21463n/aBlom et al., 2011
BacteriaCellulomonas Udan/aBlom et al., 2011
BacteriaChondromyces Crocatus Cm C2n/aSchulz et al., 2004
BacteriaChondromyces Crocatus Cm C5n/aSchulz et al., 2004
BacteriaCitrobacter FreundiiAmerican Type Culture Collection Robacker and Bartelt 1997
BacteriaCitrobacter Sp.n/aSchulz and Dickschat, 2007
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
BacteriaCytophaga-Flavobacterium-Bacteroides Group Strain ARK 10267n/aDickschat et al., 2005_3
BacteriaDinoroseobacter Shibae Strain DFL-27n/aDickschat et al., 2005_4
BacteriaEnterobacter AgglomeransRobacker and Lauzon 2002
BacteriaEnterobacter Spp.n/aSchulz and Dickschat, 2007
BacteriaEscherichia Coli ATCC43895American Type Culture Collection (ATCC), Rockville, MD or wild strains identified at the University of Kentucky Dept. of Animal Sciences Food Microbiology LaboratoryElgaali et al. 2002
BacteriaEscherichia Coli OP50n/aBlom et al., 2011
BacteriaEscherichia Sp.n/aSchulz and Dickschat, 2007
BacteriaKlebsiella PneumoniaeAmerican Type Culture Collection Robacker and Bartelt 1997
BacteriaKlebsiella Sp.n/aSchulz and Dickschat, 2007
BacteriaLactobacillus Casei NCIB 8010n/aTracey and Britz, 1989
BacteriaLactobacillus Plantarum NCIB 6376n/aTracey and Britz, 1989
BacteriaLactococcus Lactis DSM 20202n/aTracey and Britz, 1989
BacteriaLeuconostoc Cremoris DSM 20346n/aTracey and Britz, 1989
BacteriaLeuconostoc Dextranicum DSM 20484n/aTracey and Britz, 1989
BacteriaLeuconostoc Mesenteroides DSM 20343n/aTracey and Britz, 1989
BacteriaLeuconostoc Oenos B66n/aTracey and Britz, 1989
BacteriaLeuconostoc Oenos 19n/aTracey and Britz, 1989
BacteriaLeuconostoc Oenos 30n/aTracey and Britz, 1989
BacteriaLeuconostoc Oenos 36n/aTracey and Britz, 1989
BacteriaLeuconostoc Oenos 37Dn/aTracey and Britz, 1989
BacteriaLeuconostoc Oenos 7Bn/aTracey and Britz, 1989
BacteriaLeuconostoc Oenos DSM 20252n/aTracey and Britz, 1989
BacteriaLeuconostoc Oenos DSM 20255n/aTracey and Britz, 1989
BacteriaLeuconostoc Oenos DSM 20257n/aTracey and Britz, 1989
BacteriaLeuconostoc Oenos Lc5xn/aTracey and Britz, 1989
BacteriaLeuconostoc Paramesenteroides DSM 20288n/aTracey and Britz, 1989
BacteriaLoktanella Sp. Bio-204n/aDickschat et al., 2005_4
BacteriaMarine Streptomycete (isolate B6007)n/aStritzke et al., 2004
BacteriaMycobacterium Bovisn/aMCNerney et al., 2016
BacteriaMyxobacterium Spp.n/aSchulz and Dickschat, 2007
BacteriaNannocystis Exedens Na EB37n/aDickschat et al., 2007
BacteriaNannocystis Exedens Subsp. Cinnabarina Na C29n/aDickschat et al., 2007
BacteriaPediococcus Damnosus DSM 20331n/aTracey and Britz, 1989
BacteriaPseudomonas Fluorescens WCS 417rn/aBlom et al., 2011
BacteriaRoseobacter Claden/aSchulz and Dickschat, 2007
BacteriaSalinispora Tropica CNB-440namarine sedimentGroenhagen et al., 2016
BacteriaSerratia Entomophilia A1MO2n/aBlom et al., 2011
BacteriaSerratia Marcescens Db11n/aWeise et al., 2014
BacteriaSerratia Marcescens MG1n/aBlom et al., 2011
BacteriaSerratia Odorifera DSM 4582n/aWeise et al., 2014
BacteriaSerratia Plymuthica 4Rx13n/aWeise et al., 2014
BacteriaSerratia Plymuthica HRO-C48n/aBlom et al., 2011
BacteriaSerratia Plymuthica IC14n/aBlom et al., 2011
BacteriaSerratia Proteamaculans 568n/aWeise et al., 2014
BacteriaSerratia Proteamaculans B5an/aBlom et al., 2011
BacteriaStaphylococcus Schleiferi DSMZ 4807clinical isolateLemfack et al. 2016
BacteriaStaphylococcus Schleiferi H34clinical isolateLemfack et al. 2016
BacteriaStaphylococcus Sciuri ATCC 29061Southernflying squirrel skinLemfack et al. 2016
BacteriaStaphylococcus Sciuri H4286clinical isolateLemfack et al. 2016
BacteriaStaphylococcus Sciuri ORclinical isolateLemfack et al. 2016
BacteriaStaphylococcus Sciuri V405clinical isolateLemfack et al. 2016
BacteriaStaphylococcus Sciuri Yclinical isolateLemfack et al. 2016
BacteriaStaphylococcus Xylosusn/aSchulz and Dickschat, 2007
BacteriaStenotrophomonas Rhizophilla Ep10-p69n/aBlom et al., 2011
BacteriaStigmatella Aurantiaca DW4/3-1n/aDickschat et al., 2005_5
BacteriaStigmatella Aurantiaca Sg A15n/aDickschat et al., 2005_5
BacteriaStreptomyces Albidoflavus AMI 246n/aSchoeller et al., 2002
BacteriaStreptomyces Antibioticus CBS 659.68n/aSchoeller et al., 2002
BacteriaStreptomyces Diastatochromogenes ETH 18822n/aSchoeller et al., 2002
BacteriaStreptomyces Griseus ATCC 23345n/aSchoeller et al., 2002
BacteriaStreptomyces Griseus IFO 13849n/aSchoeller et al., 2002
BacteriaStreptomyces Hirsutus ATCC 19773n/aSchoeller et al., 2002
BacteriaStreptomyces Hirsutus ETH 1666n/aSchoeller et al., 2002
BacteriaStreptomyces Hygroscopicus ATCC 27438n/aSchoeller et al., 2002
BacteriaStreptomyces Hygroscopicus IFO 13255n/aSchoeller et al., 2002
BacteriaStreptomyces Murinus DSM 40091n/aSchoeller et al., 2002
BacteriaStreptomyces Olivaceus ETH 6445n/aSchoeller et al., 2002
BacteriaStreptomyces Olivaceus ETH 7437n/aSchoeller et al., 2002
BacteriaStreptomyces Sp. GWS-BW-H5.n/aDickschat et al., 2005_2
BacteriaStreptomyces Spp.n/aSchulz and Dickschat, 2007
BacteriaStreptomyces Spp. AMI 240n/aSchoeller et al., 2002
BacteriaStreptomyces Thermoviolaceus CBS 111.62n/aSchoeller et al., 2002
BacteriaUrkholderia Kururiensis LMG 19447RhizosphereBlom et al., 2011
BacteriaXanthomonas Campestris Pv. Vesicatoria 85-10n/aWeise et al., 2012
FungiAspergillus Ustusnawater damaged buildings, BelgiumPolizzi et al., 2012
Fungi Aureobasidium Pullulans FN868849applesDavis et al. 2012
FungiAureobasidium Pullulans FN868851attracts waspsisolated from apples (with lepidopteran orchard pests)Davis et al., 2012
FungiFusarium SpPierce et al. 1991
FungiPenicillium CorymbiferumPierce et al. 1991
FungiPenicillium Polonicumnawater damaged buildings, BelgiumPolizzi et al., 2012
FungiPericonia Britannicanawater damaged buildings, BelgiumPolizzi et al., 2012
FungiSaccharomyces Cerevisiaegrape vineBecher et al. 2012
FungiSaccharomyces Cerevisiae CR1control citrus black spot disease fermentation processesToffano et al. 2017
FungiScolulariopsis BrevicaulisPierce et al. 1991
FungiTrichoderma Atroviridenawater damaged buildings, BelgiumPolizzi et al., 2012
FungiTuber Aestivumn/aFortywoodland of the Basilicata regionMauriello et al., 2004
FungiTuber BorchiiInhibit the development of Arabidopsis thaliana and modify its oxidative metabolismSplivallo et al., 2007
FungiTuber IndicumInhibit the development of Arabidopsis thaliana and modify its oxidative metabolismSplivallo et al., 2007
FungiTuber MelanosporumInhibit the development of Arabidopsis thaliana and modify its oxidative metabolismSplivallo et al., 2007
FungiTuber Mesentericumn/aFortywoodland of the Basilicata regionMauriello et al., 2004
FungiVerticillium Longisporumcollection TU GrazRybakova et al. 2017
BacteriaBranhamella CatatthalisclinicPreti., 2009
BacteriaStenotrophomonas MaltophiliaclinicPreti., 2009
BacteriaStreptococcus PneumoniaeclinicPreti., 2009
FungiHansenula Holstiiwhole beetles, beetle guts, loblolly pineBrand et al. 1977
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
BacteriaPseudomonas Simiae AUnarhizosphere of a soybean field in the province of Rajasthan, IndiaVaishnav et al., 2016
BacteriaStaphylococcus Sciurinafrom the gut flora of pea aphid Acyrthosiphon pisum honeydewLeroy et al., 2011
FungiPhoma Sp.n/aStrobel et al., 2014
FungiPhomopsis Sp.naendophyte of Odontoglossum sp.Singh et al., 2011
BacteriaSerratia Plymuthica 3Re4-18n/aKai et al., 2007
BacteriaSerratia Plymuthica HRO-C48n/aKai et al., 2007
BacteriaStaphylococcus Epidermidis 2P3-18n/aKai et al., 2007
BacteriaStenotrophomonas Rhizophila P69n/aKai et al., 2007
FungiTuber Aestivumn/aT. melanosporum was from the cultivated truffle zones in the province and T. aestivum from the natural truffle zones in the same regionCullere et al., 2010
FungiTuber Melanosporumn/aT. melanosporum was from the cultivated truffle zones in the province and T. aestivum from the natural truffle zones in the same regionCullere et al., 2010
BacteriaEnterobacter Cloacaen/aArnold and Senter, 1998
BacteriaProteus Hauseri JN092591Nematicidal activitycow dungXU et al., 2015
BacteriaPseudomonas Aeruginosan/aArnold and Senter, 1998
BacteriaWautersiella Falsenii AM238687Nematicidal activitycow dungXU et al., 2015
FungiPhellinus Sp.n/aStotzky and Schenk, 1976
FungiTuber Aestivumn/aAgricultural Centre of Castilla and León Community (Monasterio de la Santa Espina, Valladolid, Spain) and Navaleno (Soria, Spain).Diaz et al., 2003
FungiTuber Melanosporumn/aAgricultural Centre of Castilla and León Community (Monasterio de la Santa Espina, Valladolid, Spain) and Navaleno (Soria, Spain).Diaz et al., 2003
BacteriaAzospirillum Brasilense Cdpromotion of performance of Chlorella sorokiniana Shihculture collection DSMZ 1843Amavizca et al. 2017
BacteriaBacillus Pumilus ES4promotion of performance of Chlorella sorokiniana ShihAmavizca et al. 2017
BacteriaEscherichia Coli DH5apromotion of performance of Chlorella sorokiniana ShihAmavizca et al. 2017
FungiAmpelomyces Sp. F-a-3nanaNaznin et al., 2014
FungiAscocoryne Sarcoides NRRL 50072n/aMallette et al. 2012
FungiCandida SakeKing George Island, South Shetland Islands, AntarcticaArrarte et al. 2017
FungiHypoxylon Antochroum Blacinaendophytic in Bursera lancifoliaUlloa-Benítez et al., 2016
FungiMuscodor Albus CZ-620n/aCorcuff et al., 2011
FungiPhoma Sp. GS8-3nanaNaznin et al., 2014
FungiSaccharomyces Cerevisiae Y1001n/aBruce et al., 2004
FungiTrichoderma AtrovirideCrutcher et al., 2013
FungiTrichoderma Atroviride ATCC 74058n/aStoppacher et al., 2010
FungiTrichoderma ReeseiCrutcher et al., 2013
FungiTrichoderma VirensCrutcher et al., 2013
FungiXylaria Sp.naHaematoxylon brasiletto, Morelos, MexicoSánchez-Ortiz et al., 2016
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaStaphylococcus Aureusblood/choclate agarGC-Ms flame photometric detectorno
BacteriaStaphylococcus AureusBlood agar/chocolate blood agaHS-SPME/GC-MS
Fungi Aspergillus Sp.no
Fungi Chaetomium Globosumno
Fungi Fusarium Sp.no
Fungi Hypoxylon Anthochroumno
Fungi Lasiodiplodia Theobromaeno
Fungi Penicillium Sppno
Fungi Trichoderman Sp.no
Fungi Tuber Sppno
BacteriaArctic Bacteriumn/an/a
BacteriaBacillus Cereus B-569LB and MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Andropogonis LMG 2129LB and MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Caledonica LMG 19076LB and MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Caribensis LMG 18531LB and MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Caryophylli LMG 2155LB and MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Cepacia LMG 1222MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Cepacia LMG 1222 358MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)Yes
BacteriaBurkholderia Fungorum LMG 16225MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Gladioli LMG 2216MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Glumae LMG 2196LB and MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Graminis LMG 18924LB and MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Hospita LMG 20598MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Kururiensis LMG 19447LB and MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Lata LMG 6993MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Phenazinium LMG 2247LB and MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Phenoliruptrix LMG 22037LB and MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Phytofirmans LMG 22487LBHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Pyrrocinia LMG 21822MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Sacchari LMG 19450LB and MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Sordidicola LMG 22029AngleHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Terricola LMG 20594LB and MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Thailandensis LMG 20219MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Xenovorans LMG 21463MS Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaCellulomonas UdaLB and MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaChondromyces Crocatus Cm C2n/an/a
BacteriaChondromyces Crocatus Cm C5n/an/a
BacteriaCitrobacter Freundiitryptic soy broth SPME, GC-MSyes
BacteriaCitrobacter Sp.n/an/a
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
BacteriaCytophaga-Flavobacterium-Bacteroides Group Strain ARK 10267n/an/a
BacteriaDinoroseobacter Shibae Strain DFL-27n/an/a
BacteriaEnterobacter Agglomeransno
BacteriaEnterobacter Spp.n/an/a
BacteriaEscherichia Coli ATCC43895TS brothGC-MS Super Qno
BacteriaEscherichia Coli OP50LB and MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaEscherichia Sp.n/an/a
BacteriaKlebsiella Pneumoniaetryptic soy broth SPME, GC-MSyes
BacteriaKlebsiella Sp.n/an/a
BacteriaLactobacillus Casei NCIB 8010n/an/a
BacteriaLactobacillus Plantarum NCIB 6376n/an/a
BacteriaLactococcus Lactis DSM 20202n/an/a
BacteriaLeuconostoc Cremoris DSM 20346n/an/a
BacteriaLeuconostoc Dextranicum DSM 20484n/an/a
BacteriaLeuconostoc Mesenteroides DSM 20343n/an/a
BacteriaLeuconostoc Oenos B66n/an/a
BacteriaLeuconostoc Oenos 19n/an/a
BacteriaLeuconostoc Oenos 30n/an/a
BacteriaLeuconostoc Oenos 36n/an/a
BacteriaLeuconostoc Oenos 37Dn/an/a
BacteriaLeuconostoc Oenos 7Bn/an/a
BacteriaLeuconostoc Oenos DSM 20252n/an/a
BacteriaLeuconostoc Oenos DSM 20255n/an/a
BacteriaLeuconostoc Oenos DSM 20257n/an/a
BacteriaLeuconostoc Oenos Lc5xn/an/a
BacteriaLeuconostoc Paramesenteroides DSM 20288n/an/a
BacteriaLoktanella Sp. Bio-204n/an/a
BacteriaMarine Streptomycete (isolate B6007)n/an/a
BacteriaMycobacterium BovisLoewenstein-Jensen mediaHeadspace analyze / SIFT-MS and TD-GC-MS.
BacteriaMyxobacterium Spp.n/an/a
BacteriaNannocystis Exedens Na EB37n/an/a
BacteriaNannocystis Exedens Subsp. Cinnabarina Na C29n/an/a
BacteriaPediococcus Damnosus DSM 20331n/an/a
BacteriaPseudomonas Fluorescens WCS 417rMR-VP Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaRoseobacter Claden/an/a
BacteriaSalinispora Tropica CNB-440seawater-based A1GC/MS
BacteriaSerratia Entomophilia A1MO2LB, MR-VP and AngleHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaSerratia Marcescens Db11NBIIHeadspace trapping/ GC-MS
BacteriaSerratia Marcescens MG1LB, MR-VP and MS Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaSerratia Odorifera DSM 4582NBIIHeadspace trapping/ GC-MS
BacteriaSerratia Plymuthica 4Rx13NBIIHeadspace trapping/ GC-MS
BacteriaSerratia Plymuthica HRO-C48MR-VP and MS Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaSerratia Plymuthica IC14LB and MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaSerratia Proteamaculans 568NBIIHeadspace trapping/ GC-MS
BacteriaSerratia Proteamaculans B5aLB, MR-VP and MS Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaStaphylococcus Schleiferi DSMZ 4807brain heart infusion mediumPorapak / GC/MSno
BacteriaStaphylococcus Schleiferi H34brain heart infusion mediumPorapak / GC/MSno
BacteriaStaphylococcus Sciuri ATCC 29061brain heart infusion mediumPorapak / GC/MSno
BacteriaStaphylococcus Sciuri H4286brain heart infusion mediumPorapak / GC/MSno
BacteriaStaphylococcus Sciuri ORbrain heart infusion mediumPorapak / GC/MSno
BacteriaStaphylococcus Sciuri V405brain heart infusion mediumPorapak / GC/MSno
BacteriaStaphylococcus Sciuri Ybrain heart infusion mediumPorapak / GC/MSno
BacteriaStaphylococcus Xylosusn/an/a
BacteriaStenotrophomonas Rhizophilla Ep10-p69LB, MR-VP and AngleHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaStigmatella Aurantiaca DW4/3-1n/an/a
BacteriaStigmatella Aurantiaca Sg A15n/an/a
BacteriaStreptomyces Albidoflavus AMI 246n/an/a
BacteriaStreptomyces Antibioticus CBS 659.68n/an/a
BacteriaStreptomyces Diastatochromogenes ETH 18822n/an/a
BacteriaStreptomyces Griseus ATCC 23345n/an/a
BacteriaStreptomyces Griseus IFO 13849n/an/a
BacteriaStreptomyces Hirsutus ATCC 19773n/an/a
BacteriaStreptomyces Hirsutus ETH 1666n/an/a
BacteriaStreptomyces Hygroscopicus ATCC 27438n/an/a
BacteriaStreptomyces Hygroscopicus IFO 13255n/an/a
BacteriaStreptomyces Murinus DSM 40091n/an/a
BacteriaStreptomyces Olivaceus ETH 6445n/an/a
BacteriaStreptomyces Olivaceus ETH 7437n/an/a
BacteriaStreptomyces Sp. GWS-BW-H5.n/an/a
BacteriaStreptomyces Spp.n/an/a
BacteriaStreptomyces Spp. AMI 240n/an/a
BacteriaStreptomyces Thermoviolaceus CBS 111.62n/an/a
BacteriaUrkholderia Kururiensis LMG 19447LB and MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)Yes
BacteriaXanthomonas Campestris Pv. Vesicatoria 85-10NBIIClosed airflow-system/GC-MS and PTR-MS
FungiAspergillus Ustusmalt extract agar; potato dextrose agar; water agar; yeast extract agar; Czapek agarSPME-GC/MSNo
Fungi Aureobasidium Pullulans FN868849Sabouraud dextrose agarGC-MSyes
FungiAureobasidium Pullulans FN868851Sabouraud Dextrose AgarGC/FIDYes
FungiFusarium SpGC-FIDyes
FungiPenicillium CorymbiferumGC-FIDyes
FungiPenicillium Polonicummalt extract agar; potato dextrose agar; water agar; yeast extract agar; Czapek agarSPME-GC/MSNo
FungiPericonia Britannicamalt extract agar; potato dextrose agar; water agar; yeast extract agar; Czapek agarSPME-GC/MSNo
FungiSaccharomyces Cerevisiaesynthetic minimal mediumGC-MS, EIyes
FungiSaccharomyces Cerevisiae CR1YEPDAGC/MSno
FungiScolulariopsis BrevicaulisGC-FIDyes
FungiTrichoderma Atroviridemalt extract agar; potato dextrose agar; water agar; yeast extract agar; Czapek agarSPME-GC/MSNo
FungiTuber Aestivumn/amicroextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)
FungiTuber Borchiin/an/a
FungiTuber Indicumn/an/a
FungiTuber Melanosporumn/an/a
FungiTuber Mesentericumn/amicroextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)
FungiVerticillium Longisporumpotato dextrose agar (PDA), Czapek Dox liquid cultureGC-MS / SPMEno
BacteriaBranhamella CatatthalisBlood agar/chocolate blood agaHS-SPME/GC-MS no
BacteriaStenotrophomonas MaltophiliaBlood agar/chocolate blood agaHS-SPME/GC-MS no
BacteriaStreptococcus PneumoniaeBlood agar/chocolate blood agaHS-SPME/GC-MS no
FungiHansenula HolstiiPYGGC-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
BacteriaPseudomonas Simiae AUNutrient broth; King's B agarGC/MSNo
BacteriaStaphylococcus Sciuri877 liquid mediumSPME-GC/MS
FungiPhoma Sp.n/aSolid phase microextraction (SPME)
FungiPhomopsis Sp.PDA mediumSPME-GC/MSYes
BacteriaSerratia Plymuthica 3Re4-18n/an/a
BacteriaSerratia Plymuthica HRO-C48n/an/a
BacteriaStaphylococcus Epidermidis 2P3-18n/an/a
BacteriaStenotrophomonas Rhizophila P69n/an/a
FungiTuber Aestivumn/aGas chromatography-olfactometry (GC-O)
FungiTuber Melanosporumn/aGas chromatography-olfactometry (GC-O)
BacteriaEnterobacter CloacaeHS-SPME/GC-MS
BacteriaProteus Hauseri JN092591LB liquidSPME-GC/MS
BacteriaPseudomonas AeruginosaHS-SPME/GC-MS
BacteriaWautersiella Falsenii AM238687LB liquidSPME-GC/MS
FungiPhellinus Sp.n/an/a
FungiTuber Aestivumn/an/a
BacteriaAzospirillum Brasilense CdTSASPME-GCno
BacteriaBacillus Pumilus ES4TSASPME-GCno
BacteriaEscherichia Coli DH5aTSASPME-GCno
FungiAmpelomyces Sp. F-a-3naSPME-GC/MSNo
FungiAscocoryne Sarcoides NRRL 50072Minimal mediumPTR-MS and SPME GC-MS
FungiCandida SakeYeast Nitrogen base with 1% pectinSPME / GCMSno
FungiHypoxylon Antochroum BlaciPDA/WA + 500 mg l^-1 ChloramphenicolSPME-GC/MSYes
FungiMuscodor Albus CZ-620n/aHeadspace sampler/GC-MS
FungiPhoma Sp. GS8-3naSPME-GC/MSNo
FungiSaccharomyces Cerevisiae Y1001n/an/a
FungiTrichoderma AtroviridePotato dextrose agarHS-SPME/GC-MS no
FungiTrichoderma Atroviride ATCC 74058Potato dextrose agarHS-SPME/GC-MS
FungiTrichoderma ReeseiPotato dextrose agarHS-SPME/GC-MS no
FungiTrichoderma VirensPotato dextrose agarHS-SPME/GC-MS no
FungiXylaria Sp.PDA mediumSPME-GC/MSYes


1,3-benzothiazole

Mass-Spectra

Compound Details

Synonymous names
Benzosulfonazole
benzothiazol
BENZOTHIAZOLE
benzthiazole
IOJUPLGTWVMSFF-UHFFFAOYSA-N
Benzothiazole, analytical standard
BOT
Vangard BT
BENZO[D]THIAZOLE
benzo[d]thiazol
AC1L1OA4
Benzothiazole, 96%
SCHEMBL8430
1,3-Benzothiazole
KSC486M5N
NSC8040
B0092
CTK3I6656
G5BW2593EP
W9729
ZINC19726
1,3-Benzothiazole #
ACMC-209rv5
CHEMBL510309
RP20214
1-Thia-3-azaindene
CCRIS 7893
HSDB 2796
UNII-G5BW2593EP
AC-3297
AK105881
Benzothiazole, >=96%, FG
DTXSID7024586
FEMA Number 3256
HE020667
HE419098
Jsp004380
LS-1973
MP-2108
NSC 8040
NSC-8040
SBB058513
SCHEMBL9304593
STL268890
ZB000761
CHEBI:45993
DSSTox_CID_4586
O-2857
AJ-08402
AK-72791
AN-13114
ANW-40383
BR-72791
CJ-00148
DSSTox_GSID_24586
KB-47702
SC-18067
ST2412661
TL8005981
TRA0008463
USAF EK-4812
BDBM50444460
DSSTox_RID_77458
MFCD00005775
ZINC00019726
AI3-05742
DB-057562
RTR-029662
ST51023425
TR-029662
AKOS000120178
Epitope ID:138946
I01-0420
Q-100900
WLN: T56 BN DSJ
BRN 0109468
FEMA No. 3256
FT-0622731
FT-0660763
FT-0689534
MLS001050134
SMR001216577
95-16-9
Tox21_201853
Tox21_303232
Benzothiazole, Vetec(TM) reagent grade, 96%
F0001-2268
Z1245735190
CAS-95-16-9
MCULE-5257468117
NCGC00091399-01
NCGC00091399-02
NCGC00257070-01
NCGC00259402-01
EINECS 202-396-2
128366-28-9
MolPort-001-779-851
11895-EP2269978A2
11895-EP2269985A2
11895-EP2269991A2
11895-EP2270010A1
11895-EP2270113A1
11895-EP2270505A1
11895-EP2272828A1
11895-EP2272832A1
11895-EP2272935A1
11895-EP2272972A1
11895-EP2272973A1
11895-EP2275105A1
11895-EP2275409A1
11895-EP2275411A2
11895-EP2276085A1
11895-EP2277858A1
11895-EP2277869A1
11895-EP2277872A1
11895-EP2280000A1
11895-EP2281563A1
11895-EP2281818A1
11895-EP2281824A1
11895-EP2284150A2
11895-EP2284151A2
11895-EP2284152A2
11895-EP2284153A2
11895-EP2284155A2
11895-EP2284156A2
11895-EP2284157A1
11895-EP2284164A2
11895-EP2284920A1
11895-EP2287140A2
11895-EP2287148A2
11895-EP2287150A2
11895-EP2287165A2
11895-EP2287166A2
11895-EP2289871A1
11895-EP2289876A1
11895-EP2292586A2
11895-EP2292590A2
11895-EP2292592A1
11895-EP2292593A2
11895-EP2292611A1
11895-EP2292620A2
11895-EP2292630A1
11895-EP2295419A2
11895-EP2295421A1
11895-EP2295433A2
11895-EP2298732A1
11895-EP2298767A1
11895-EP2298828A1
11895-EP2301534A1
11895-EP2301912A2
11895-EP2301913A1
11895-EP2301914A1
11895-EP2301916A2
11895-EP2301923A1
11895-EP2301983A1
11895-EP2302003A1
11895-EP2305219A1
11895-EP2305637A2
11895-EP2305642A2
11895-EP2305643A1
11895-EP2305651A1
11895-EP2305652A2
11895-EP2305662A1
11895-EP2305675A1
11895-EP2305695A2
11895-EP2305696A2
11895-EP2305697A2
11895-EP2305698A2
11895-EP2308510A1
11895-EP2308562A2
11895-EP2308832A1
11895-EP2308840A1
11895-EP2308849A1
11895-EP2308850A1
11895-EP2308854A1
11895-EP2308863A1
11895-EP2311451A1
11895-EP2311796A1
11895-EP2311797A1
11895-EP2311798A1
11895-EP2311799A1
11895-EP2311842A2
11895-EP2314575A1
11895-EP2314582A1
11895-EP2314587A1
11895-EP2315303A1
11895-EP2316450A1
11895-EP2316459A1
11895-EP2371810A1
11895-EP2371811A2
11895-EP2371812A1
11895-EP2372804A1
11895-EP2378585A1
29076-EP2272517A1
29076-EP2277868A1
29076-EP2277869A1
29076-EP2277870A1
29076-EP2281815A1
29076-EP2305250A1
29076-EP2305640A2
29076-EP2305671A1
29076-EP2305675A1
29076-EP2305769A2
29076-EP2311826A2
29076-EP2311842A2
62566-EP2308812A2
87422-EP2270018A1
87422-EP2298780A1
87422-EP2305689A1
AC-907/25014160
4-27-00-01069 (Beilstein Handbook Reference)
InChI=1/C7H5NS/c1-2-4-7-6(3-1)8-5-9-7/h1-5
IUPAC name1,3-benzothiazole
SMILESC1=CC=C2C(=C1)N=CS2
InchiInChI=1S/C7H5NS/c1-2-4-7-6(3-1)8-5-9-7/h1-5H
FormulaC7H5NS
PubChem ID7222
Molweight135.18
LogP2.11
Atoms14
Bonds15
H-bond Acceptor1
H-bond Donor0
Chemical ClassificationBenzenoids Thiazole sulfur compounds nitrogen compounds heterocylic compounds thiazoles

mVOC Specific Details

Boiling Point
DegreeReference
227-228 DEG C AT 765 MM HGBudavari, S. (ed.). The Merck Index - An Encyclopedia of Chemicals, Drugs, and Biologicals. Whitehouse Station, NJ: Merck and Co., Inc., 1996., p. 186
Volatilization
The Henry's Law constant for benzothiazole is estimated as 3.7 X 10-7 atm-cu m/mole(SRC) using a fragment constant estimation method(1). This value indicates that benzothiazole will volatilize slowly from water surfaces(2,SRC). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec) is estimated as approximately 114 days(2,SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec) is estimated as approximately 832 days(2,SRC). Benzothiazole's Henry's Law constant(1,SRC) indicates that volatilization from moist soil surfaces should be slow(SRC).
Literature: (1) Meylan WM, Howard PH; Environ Toxicol Chem 10: 1283-93 (1991) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington DC: Amer Chem Soc pp. 15-1 to 15-29 (1990)
Soil Adsorption
The Koc of benzothiazole is estimated as approximately 295(SRC), using an experimental log Kow of 2.01(1,SRC) and a regression-derived equation(2,SRC). According to a recommended classification scheme(3), this estimated Koc value suggests that benzothiazole has moderate mobility in soil(SRC).
Literature: (1) Hansch C et al; Exploring QSAR Hydrophobic, Electronic and Stearic Constants Washington DC: Amer Chem Soc (1995) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington DC: Amer Chem Soc pp. 4-9 (1990) (3) Swann RL et al; Res Rev 85: 23 (1983)
MS-Links
1D-NMR-Links

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
FungiTrichodema Viriden/aWheatley et al., 1997
FungiTrichoderma Viride (T60)n/anot shownWheatley et al., 1997
BacteriaChondromyces Crocatus Cm C2n/aSchulz et al., 2004
BacteriaChondromyces Crocatus Cm C5n/aSchulz et al., 2004
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 Spp.Inhibition of Mycelium growth of Paecilomyces lilacinus and Pochonia chlamydosporia.Zou et al., 2007
BacteriaCyanobacteriaIt has been shown to inhibit development of sclerotia of fungi.Schulz and Dickschat, 2007
BacteriaLysobacter GummosusInhibition of Mycelium growth of Paecilomyces lilacinus and Pochonia chlamydosporia.Zou et al., 2007
BacteriaMyxobacterium Spp.It has been shown to inhibit development of sclerotia of fungi.Schulz and Dickschat, 2007
BacteriaNannocystis Exedens Na EB37n/aDickschat et al., 2007
BacteriaNannocystis Exedens Subsp. Cinnabarina Na C29n/aDickschat et al., 2007
BacteriaPseudomonas AurantiacaInhibition of mycelium growth and spore germinationFernando et al., 2005
BacteriaPseudomonas ChlororaphisIt has been shown to inhibit development of sclerotia of fungi.Schulz and Dickschat, 2007
BacteriaPseudomonas CorrugateInhibition of mycelium growth and spore germinationFernando et al., 2005
BacteriaPseudomonas FluorescensInhibition of mycelium growth and spore germinationFernando et al., 2005
BacteriaPseudomonas Simiae AUnarhizosphere of a soybean field in the province of Rajasthan, IndiaVaishnav et al., 2016
BacteriaSalinispora Tropica CNB-440namarine sedimentGroenhagen et al., 2016
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
BacteriaStreptomyces Sp. GWS-BW-H5.n/aDickschat et al., 2005_2
BacteriaStreptomyces Spp.It has been shown to inhibit development of sclerotia of fungi.Schulz and Dickschat, 2007
Fungi Aspergillus Sp.Seifert and King 1982
Fungi Trichoderma Sp.Nemcovic et al. 2008
FungiTuber Magnatumn/aItalian geographical areas (Umbria, Emilia Romagna, Border region area between Emilia Romagna and Marche)Gioacchini et al., 2008
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
FungiTrichodema VirideMalt extract/Low mediumGC/MS
FungiTrichoderma Viride (T60)minimal agarVOCS were analysed by Integrated Automated Thermal Desorbtion-GC-MS. The isolates were grown on a minimal agar medium with the carbon:nitrogen levels similar to that found in Scots pine wood. Covered cultures were incubated at 25°C for 48h.
BacteriaChondromyces Crocatus Cm C2n/an/a
BacteriaChondromyces Crocatus Cm C5n/an/a
BacteriaAlcaligenes Faecalisn/an/a
BacteriaArthrobacter Nitroguajacoliusn/an/a
BacteriaBacillus Spp.n/an/a
BacteriaCyanobacterian/an/a
BacteriaLysobacter Gummosusn/an/a
BacteriaMyxobacterium Spp.n/an/a
BacteriaNannocystis Exedens Na EB37n/an/a
BacteriaNannocystis Exedens Subsp. Cinnabarina Na C29n/an/a
BacteriaPseudomonas Aurantiacan/an/a
BacteriaPseudomonas Chlororaphisn/an/a
BacteriaPseudomonas Corrugaten/an/a
BacteriaPseudomonas Fluorescensn/an/a
BacteriaPseudomonas Simiae AUNutrient broth; King's B agarGC/MSNo
BacteriaSalinispora Tropica CNB-440seawater-based A1GC/MS
BacteriaSporosarcina Ginsengisolin/an/a
BacteriaStenotrophomonas Maltophilian/an/a
BacteriaStreptomyces Sp. GWS-BW-H5.n/an/a
BacteriaStreptomyces Spp.n/an/a
Fungi Aspergillus Sp.no
Fungi Trichoderma Sp.no
FungiTuber Magnatumn/amicroextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)


1-phenylethanol

Mass-Spectra

Compound Details

Synonymous names
Methylphenylcarbinol
Phenylmethylcarbinol
alpha-Methylbenzenemethanol
methylbenzylalcohol
beta-Phenethylalcohol
Methylphenyl carbinol
alpha-methyl-benzenemethanol
alpha-Phenylethanol
DL-alpha-METHYLPHENYLCARBINOL
Fenyl-methylkarbinol
methylbenzyl alcohol
ALPHA-METHYLBENZYL ALCOHOL
Styrallyl alcohol
WAPNOHKVXSQRPX-UHFFFAOYSA-N
1-hydroxyethylbenzene
alpha-Methyl-benzmethanol
alpha-Phenylethyl alcohol
Styralyl alcohol
Styrene alcohol
a-methylbenzyl alcohol
alpha-Phenethyl alcohol
beta-Phenethyl alcohol
Methyl phenyl carbinol
methyl phenyl methanol
.alpha.-Methylbenzenemethanol
sec-Phenethyl alcohol
.alpha.-Hydroxyethylbenzene
1-Fenylethanol
1-Phenylethanol
alpha-Methyl-benzyl alcohol
1-Phenylethyl alcohol
AC1Q1QWS
AC1Q2BTJ
1-Phenethyl alcohol
DL-sec-Phenethyl alcohol
m ethyl phenyl methanol
Methanol, methylphenyl-
.alpha.-Phenylethanol
(?)-alpha-Methylbenzenemethanol
Benzenemethanol, alpha-methyl-
DL-1-Phenylethanol
.alpha.-Methylbenzyl alcohol
1-phenyl ethanol
1-PHENYL-ETHANOL
AC1L1OP4
Fenyl-methylkarbinol [Czech]
.alpha.-Phenylethyl alcohol
(1-Hydroxyethyl)benzene
1-Phenyl ethyl alcohol
ACMC-1BP1S
Benzenemethanol, ?-methyl-
SCHEMBL2164
.alpha.-Phenethyl alcohol
(+)-Methylphenylcarbinol
KSC180A0N
1-Phenyl-1-ethylalcohol
1-Phenyl-1-hydroxyethane
dl-.alpha.-Methylbenzyl alcohol
LS-24
UN2937
Benzyl alcohol, alpha-methyl-
CHEBI:669
CTK0I0006
M0163
1-phenylethane-1-ol
ACMC-209ct5
ACMC-209d6x
CHEMBL508917
NSC25502
(1)-alpha-Methylbenzyl alcohol
1-Fenylethanol [Czech]
1-phenyl-1-ethanol
1-Phenylethan-1-ol
C07112
CCRIS 2367
DSSTox_CID_859
HSDB 4164
(+) alpha-phenylethanol
1-Phenylethanol, 98%
Benzenemethanol, .alpha.-methyl-
DTXSID1020859
FEMA Number 2685
OR012341
OR115864
OR115865
OR214134
OR238236
OR243591
OR338848
SBB058702
UN 2937
Ethanol, 1-phenyl-
ETHOXY, 1-PHENYL-
NCI-C55685
(S)-1-Phenylethyl alcohol
AK-58033
AN-24496
AN-49209
AN-49366
ANW-40962
DSSTox_GSID_20859
KB-47293
NSC 25502
NSC-25502
SC-01127
SC-01292
TRA0068410
( )-a-Methylbenzyl alcohol
(-)-Methyl phenyl carbinol
(+)-Methyl phenyl carbinol
DSSTox_RID_75830
MFCD00004508
AI3-02936
DB-043114
RTR-005646
RTR-033037
ST24038180
TR-005646
WLN: QY1 & R
( )-1-Phenylethanol
AKOS000121326
AKOS016038258
Benzyl alcohol, .alpha.-methyl-
I01-7503
I14-7357
W-100061
FEMA No. 2685
FT-0613332
FT-0633624
98-85-1
ETHYL, 1-HYDROXY-1-PHENYL-
Tox21_200505
(+/-)-alpha-Methylbenzyl alcohol
alpha-Methylbenzyl alcohol, >=99%, FCC, FG
CAS-98-85-1
MCULE-1985443213
NCGC00248663-01
NCGC00258059-01
(+/-)-sec-Phenethyl Alcohol
EINECS 202-707-1
EINECS 236-361-8
(+/-)-1-Phenylethanol
13323-81-4
alpha-Methylbenzyl alcohol [UN2937] [Poison]
(+/-)-1-Phenylethyl Alcohol
(R)-(+)-sec-PHENYLETHYL ALCOHOL
(S)-(-)-Sec-Phenylethyl alcohol
(S)-(-)-sec-Phenethyl Alcohol
MolPort-001-788-492
alpha-Methylbenzyl alcohol [UN2937] [Poison]
16568-EP2281563A1
16568-EP2298744A2
16568-EP2301918A1
16568-EP2308857A1
16568-EP2316459A1
Benzenemethanol, .alpha.-methyl-, (R)-
BENZENE-D5-METHAN-D-OL,A-(METHYL-D3)- (9CI)
(R)-(+)-1-Phenylethanol, 99%, ChiraSelect(TM)
IUPAC name1-phenylethanol
SMILESCC(C1=CC=CC=C1)O
InchiInChI=1S/C8H10O/c1-7(9)8-5-3-2-4-6-8/h2-7,9H,1H3
FormulaC8H10O
PubChem ID7409
Molweight122.167
LogP1.62
Atoms19
Bonds19
H-bond Acceptor1
H-bond Donor1
Chemical ClassificationBenzenoids Alcohols

mVOC Specific Details

Volatilization
The Henry's Law constant for alpha-methylbenzyl alcohol is estimated as 2.9X10-7 atm-cu m/mole(SRC) using a fragment constant estimation method(1). This value indicates that alpha-methylbenzyl alcohol will not volatilize from water surfaces(2,SRC). Volatilization from either dry or moist soil surfaces is not expected to be a major fate process based on estimated values for vapor pressure, 0.058 mm Hg(3,SRC) and Henry's Law constant(1,SRC).
Literature: (1) Meylan WM, Howard PH; Environ Toxicol Chem 10: 1283-93 (1991) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (3) Lyman WJ; p 31 in Environmental Exposure From Chemicals Vol I, Neely WB, Blau GE(eds), Boca Raton, FL: CRC Press (1985)
Soil Adsorption
Koc values for alpha-methylbenzyl alcohol were determined for three subsoils: Apison (organic content = 0.11%) had a Koc of 37, Fullerton (organic content = 0.06%) had a Koc of <5, and Dormont (organic content = 1.2%) had a Koc of 52(1). According to a recommended classification scheme(2), these Koc values suggest that alpha-methylbenzyl alcohol has very high mobility in soil, although increasing organic content will act to reduce mobility slightly(SRC).
Literature: (1) Southworth GR, Keller JL; Water Air Soil Poll 28: 239-48 (1986) (2) Swann RL et al; Res Rev 85: 23 (1983)
MS-Links

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaBurkholderia Ambifaria LMG 19467Groenhagen et al., 2013
BacteriaChondromyces Crocatusn/aSchulz and Dickschat, 2007
BacteriaChondromyces Crocatus Cm C2n/aSchulz et al., 2004
BacteriaChondromyces Crocatus Cm C5n/aSchulz et al., 2004
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaBurkholderia Ambifaria LMG 19467Luria-Bertani medium, Malt ExtractYes
BacteriaChondromyces Crocatusn/an/a
BacteriaChondromyces Crocatus Cm C2n/an/a
BacteriaChondromyces Crocatus Cm C5n/an/a


1-(4-methoxyphenyl)ethanone

Mass-Spectra

Compound Details

Synonymous names
paramethoxyacetophenone
para-Methoxyacetophenone
p-Methoxyacetophenone
Acetanisole
p-Metoxyacetophenone
4'-Methoxyacetophenone
Castoreum anisole
Linarodin
Novatone
NTPLXRHDUXRPNE-UHFFFAOYSA-N
Vananote
4-Methoxyacetophenone
P-ACETYLANISOLE
para-Acetanisole
4-Methoxyacetofenon
p -methoxyacetophenone
p-methoxy acetophenone
4'-Methoxyacetophenone, analytical standard
Methyl p-methoxyphenyl ketone
p-methoxy-acetophenon
p-Methoxyphenyl methyl ketone
4-Acetoanisole
4-Acetylanisole
4'-methoxy-acetophenone
4 -methoxyacetophenone
AC1L1OUJ
AC1Q4FEC
4-Acetylanisole; pAcetanisole
4-Methoxyphenyl methyl ketone
ACMC-1BOII
Methyl 4-methoxyphenyl ketone
PubChem3324
1-acetyl-4-methoxybenzene
Acetophenone, p-methoxy-
KSC174K9F
4-Methoxyacetofenon [Czech]
NSC5601
SCHEMBL41285
0IRH2BR587
4'-Methoxyacetophenone, 99%
Acetophenone, 4'-methoxy-
CTK0H4592
M0105
CHEMBL401912
NE10606
STR00157
1-(4-Methoxyphenyl)ethanone
bmse010024
HSDB 8319
UNII-0IRH2BR587
ZINC157405
AK405360
AN-1726
DTXSID2044347
Jsp000055
LS-2536
NSC-5601
NSC209523
OR025114
OR142282
OR142283
OR328325
PS-3395
SBB040242
STK498196
ZB006676
CHEBI:86567
1-(4-Methoxyphenyl)ethanone #
AB1003998
AC-10916
ANW-14150
CJ-01651
DSSTox_GSID_44347
KB-72664
SC-00003
SCHEMBL12015229
TL8002708
WLN: 1VR DO1
1-(4-methoxy-phenyl)ethanone
1-(4-methoxyphenyl) ethanone
1-(4-methoxyphenyl)-ethanone
BB_SC-6578
BDBM50376209
DSSTox_CID_24347
DSSTox_RID_80160
MFCD00008745
ZINC00157405
AI3-00227
Anisyl, p-, methyl ketone
DB-003499
KB-204522
NSC 209523
NSC-209523
RTR-033388
ST50213402
TL80073731
TR-033388
AKOS000119536
I01-6583
W-108978
Z53832960
1-[4-(methyloxy)phenyl]ethanone
BB 0258870
FEMA No. 2005
FT-0618906
FT-0650756
1-(4-Methoxy-phenyl)-ethanone
Acetanisole, >=98%, FCC, FG
Tox21_300687
1-(4-methoxyphenyl)-1-ethanone
1-(4-methoxyphenyl)ethan-1-one
100-06-1
F0001-0007
4'-Methoxyacetophenone, 99% 250g
Ethanone, 1-(4-methoxyphenyl)-
MCULE-1570220566
NCGC00188270-01
NCGC00188270-02
NCGC00254595-01
CAS-100-06-1
EINECS 202-815-9
EC 202-815-9
MolPort-000-831-720
4'-Methoxyacetophenone, purum, >=99.0% (GC)
AB-131/40174083
ETHYL, 2-(4-METHOXYPHENYL)-2-OXO-
InChI=1/C9H10O2/c1-7(10)8-3-5-9(11-2)6-4-8/h3-6H,1-2H
IUPAC name1-(4-methoxyphenyl)ethanone
SMILESCC(=O)C1=CC=C(C=C1)OC
InchiInChI=1S/C9H10O2/c1-7(10)8-3-5-9(11-2)6-4-8/h3-6H,1-2H3
FormulaC9H10O2
PubChem ID7476
Molweight150.177
LogP1.37
Atoms21
Bonds21
H-bond Acceptor2
H-bond Donor0
Chemical ClassificationBenzenoids Ethers Ketones

mVOC Specific Details

Boiling Point
DegreeReference
254 deg CHaynes, W.M. (ed.). CRC Handbook of Chemistry and Physics. 95th Edition. CRC Press LLC, Boca Raton: FL 2014-2015, p. 3-6
Volatilization
The Henry's Law constant for 4-acetylanisole is estimated as 8.9X10-6 atm-cu m/mole(SRC) using a fragment constant estimation method(1). This Henry's Law constant indicates that 4-acetylanisole is expected to volatilize from water surfaces(2). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec)(2) is estimated as 3 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 42 days(SRC). 4-Acetylanisole's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). 4-Acetylanisole is not expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 6.44X10-3 mm Hg at 25 deg C(3).
Literature: (1) Meylan WM, Howard PH; Environ Toxicol Chem 10: 1283-93 (1991) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (3) Jones AH; J Chem Eng Data 5: 196-200 (1960)
Solubility
In water, 3.62X10+3 mg/L at 25 deg C (est)
Literature: US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.1. Nov, 2012. Available from, as of June 7, 2016: http://www2.epa.gov/tsca-screening-tools
Literature: #Soluble in ethanol, diethyl ether, acetone and chloroform
Literature: Haynes, W.M. (ed.). CRC Handbook of Chemistry and Physics. 95th Edition. CRC Press LLC, Boca Raton: FL 2014-2015, p. 3-6
Literature: #Soluble in alcohol, ether, fixed oils
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. 888
Literature: #Soluble in fixed oils, propylene glycol; miscible with glycerin
Literature: Lewis, R.J. Sr. (ed) Sax's Dangerous Properties of Industrial Materials. 12th Edition. Wiley-Interscience, Wiley & Sons, Inc. Hoboken, NJ. 2012., p. V4: 2881
Soil Adsorption
A log Koc of 2.43 for 4-acetylanisole was measured in a black agricultural soil (silty loam, pH 5.86, 27.2% clay content, 4.78% soil organic matter, 4.01% water content) obtained from Northeastern China(1). This corresponds to a Koc of 270(SRC). According to a classification scheme(2), this Koc value suggests that 4-acetylanisole is expected to have moderate mobility in soil.
Literature: (1) Ding Y, Wang L; Toxicol Environ Chem 78: 1-9 (2000) (2) Swann RL et al; Res Rev 85: 17-28 (1983)
Vapor Pressure
PressureReference
6.44X10-3 mm Hg at 25 deg CJones AH; J Chem Eng Data 5: 196-200 (1960)
MS-Links
1D-NMR-Links

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaChondromyces Crocatusn/aSchulz and Dickschat, 2007
BacteriaChondromyces Crocatus Cm C2n/aDickschat et al., 2005_6
BacteriaChondromyces Crocatus Cm C5n/aDickschat et al., 2005_6
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaChondromyces Crocatusn/an/a
BacteriaChondromyces Crocatus Cm C2n/an/a
BacteriaChondromyces Crocatus Cm C5n/an/a


Methyl 4-methoxybenzoate

Mass-Spectra

Compound Details

Synonymous names
DDIZAANNODHTRB-UHFFFAOYSA-N
methyl4-methoxybenzoate
Methyl p-methoxybenzoate
Methyl anisate
METHYL 4-METHOXYBENZOATE
4-methoxy methylbenzoate
METHYL PARA-ANISATE
Methyl p-anisate
methyl P-methoxy benzoate
Methyl-p-anisate
Methyl-p-Methoxy Benzoate
p-Methoxybenzoic acid methyl ester
ANISIC ACID METHYL ESTER
4-Methoxybenzoic acid methyl
4-(Methoxycarbonyl)anisole
Methyl 4-Anisate
AC1L1R4M
Methyl ester of p-Methoxybenzoic acid
4-Methoxybenzoic acid methyl ester
p-Anisic acid methyl ester
KSC119E6R
NSC7324
ACMC-209ajc
ZINC87933
4-methoxy-benzoic acid methyl ester
SCHEMBL231243
AS02499
ARONIS011593
RP22885
p-Anisic acid, methyl ester
2MFL7873W9
FEMA 2679
bmse010016
AN-9346
NSC 7324
ZB003141
DTXSID7047645
NSC-7324
OR011231
OR209324
SY003911
STK041805
AC-7084
CHEMBL1762668
SBB058204
LS-2900
M-5922
CHEBI:86903
UNII-2MFL7873W9
WLN: 1OVR DO1
SC-24120
KB-54413
AJ-10791
BR-46595
ST2413419
AK-46595
CJ-00703
Methyl p-anisate, 99%
DSSTox_GSID_47645
ANW-17926
DSSTox_CID_27645
RARECHEM AL BF 0083
MFCD00008437
ZINC00087933
BDBM50340087
DSSTox_RID_82472
TR-003554
DB-012814
AM20050128
RTR-003554
ST45048310
AI3-00229
AKOS000501135
I01-8152
W-108443
BRN 2208571
Benzoic acid, p-methoxy-, methyl ester
FT-0628647
FEMA No. 2679
LABOTEST-BB LT00782008
Tox21_302682
Methyl p-anisate, >=99%, FG
F1335-0002
Benzoic acid, 4-methoxy-, methyl ester
121-98-2
MCULE-7764530900
Methyl p-anisate, >=99% (capillary GC)
NCGC00256751-01
CAS-121-98-2
EINECS 204-513-2
MolPort-000-690-489
AQ-917/40232598
InChI=1/C9H10O3/c1-11-8-5-3-7(4-6-8)9(10)12-2/h3-6H,1-2H
IUPAC namemethyl 4-methoxybenzoate
SMILESCOC1=CC=C(C=C1)C(=O)OC
InchiInChI=1S/C9H10O3/c1-11-8-5-3-7(4-6-8)9(10)12-2/h3-6H,1-2H3
FormulaC9H10O3
PubChem ID8499
Molweight166.176
LogP1.82
Atoms22
Bonds22
H-bond Acceptor2
H-bond Donor0
Chemical ClassificationBenzenoids Esters Ethers

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaChondromyces Crocatusn/aRespiratory clinical isolates (Canterbury Health Laboratories, Christchurch, New Zealand)Schulz and Dickschat, 2007
BacteriaChondromyces Crocatus Cm C2n/aRespiratory clinical isolates (Canterbury Health Laboratories, Christchurch, New Zealand)Dickschat et al., 2005_6
BacteriaChondromyces Crocatus Cm C5n/aDickschat et al., 2005_6
BacteriaMycobacterium Tuberculosisn/aRespiratory clinical isolates (Canterbury Health Laboratories, Christchurch, New Zealand)Syhre et al., 2008
FungiPiptoporus BetulinusnaSachsenwald near HamburgRösecke et al., 2000
FungiTrametes Suaveolensnanear Zachersmühle, Göppingen, southern GermanyRösecke et al., 2000
FungiLentinellus CochleatusRapior et al. 2002
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaChondromyces CrocatusLoewenstein-Jensen/Glycerol, sheep blood agar and BacT/Alerts MPSolid phase micro-extraction (SPME), GC/MS-MS
BacteriaChondromyces Crocatus Cm C2Loewenstein-Jensen/Glycerol, sheep blood agar and BacT/Alerts MPSolid phase micro-extraction (SPME), GC/MS-MS
BacteriaChondromyces Crocatus Cm C5Loewenstein-Jensen/Glycerol, sheep blood agar and BacT/Alerts MPSolid phase micro-extraction (SPME), GC/MS-MS
BacteriaMycobacterium TuberculosisLoewenstein-Jensen/Glycerol, sheep blood agar and BacT/Alerts MPSolid phase micro-extraction (SPME), GC/MS-MS
FungiPiptoporus BetulinusnaGC/MSNo
FungiTrametes SuaveolensnaGC/MSNo
FungiLentinellus Cochleatushydro-destillation, solvent extraction, GC-MSno


Methyl 2-aminobenzoate

Mass-Spectra

Compound Details

Synonymous names
Methylanthranilate
Methylester kyseliny anthranilove
o-methoxycarbonylaniline
o-Carbomethoxyaniline
Anthranilic acid methylester
methyl aminobenzoate
METHYL ANTHRANILATE
methyl antranilate
NATURAL METHYL ANTHRANILATE
VAMXMNNIEUEQDV-UHFFFAOYSA-N
2-Carbomethoxyaniline
NEROLI
Anthranilic acid methyl
Methyl o-aminobenzoate
Anthranilic acid methyl ester
ANTHRANILIC ACID:METHYL ESTER
O-methyl anthranilate
Nevoli oil
AC1L1REA
AC1Q5ZBB
Methyl 2-aminobenzoate
METHYL 2-ANTHRANILATE
METHYL-2-AMINOBENZOATE
Methylester kyseliny anthranilove [Czech]
o-Amino methyl benzoate
o-Aminobenzoic acid methyl ester
2-(Methoxycarbonyl)aniline
Anthranilic acid, methyl ester
Neroli oil, artifical
Neroli oil, artificial
AC1Q42HZ
Acetaminophen 100% Powder
Methyl anthranilate (natural)
2-Aminobenzoic acid methyl ester
methyl 2-amino-benzoate
Methyl ester of o-Aminobenzoic acid
KSC115A6D
o-Aminobenzoic acid, methyl ester
Natural Mandarin Pettigrain F.D.
NSC3109
PubChem13629
SCHEMBL57713
A0500
CTK0B5061
2-amino benzoic acid methyl ester
2-amino-benzoic acid methyl ester
2-Aminobenzoic acid, methyl ester
ACMC-209bu5
AS01236
BENZOIC ACID METHYL ESTER,2-AMINO
LS-775
RP21463
981I0C1E5W
Amino methyl benzoate, o-
C20634
CCRIS 1349
FEMA 2682
HSDB 1008
WLN: ZR BVO1
ZINC157525
BBL027653
CHEMBL1493986
DTXSID6025567
Jsp002075
NSC 3109
NSC-3109
OR025120
OR214658
OR214659
SBB059788
STK045541
ZB006711
CHEBI:73244
DSSTox_CID_5567
M-5862
Methyl 2-aminobenzoate, 99%
UNII-981I0C1E5W
AC-11600
AJ-15047
AK-41339
AN-23083
ANW-19611
CJ-01677
DSSTox_GSID_25567
KB-54722
LABOTEST-BB LTBB000479
SC-11429
ST2413278
TL8006109
TRA0074470
BB_SC-2799
DSSTox_RID_77832
MFCD00007710
ZINC00157525
AI3-01022
Benzoic acid, amino-, methyl ester
DB-042220
KB-228184
RTR-033354
ST45255311
TR-033354
AKOS000119222
Epa Pesticide Chemical Code 128725
I01-6584
W-108288
BRN 0606965
FEMA No. 2682
FT-0622414
Methyl anthranilate, natural, >=99%, FG
Methyl anthranilate, >=98%, FCC, FG
OTAVA-BB 1867348
Tox21_201657
Tox21_300347
134-20-3
F2141-0131
Benzoic acid, 2-amino-, methyl ester
Methyl 2-aminobenzoate, ReagentPlus(R), >=99%
MCULE-3500477192
NCGC00091409-01
NCGC00091409-02
NCGC00091409-03
NCGC00254347-01
NCGC00259206-01
CAS-134-20-3
EINECS 205-132-4
143202-08-8
Methyl 2-aminobenzoate, Vetec(TM) reagent grade, 98%
MolPort-000-004-891
Methyl anthranilate, natural (US), >=99%, FG
InChI=1/C8H9NO2/c1-11-8(10)6-4-2-3-5-7(6)9/h2-5H,9H2,1H
IUPAC namemethyl 2-aminobenzoate
SMILESCOC(=O)C1=CC=CC=C1N
InchiInChI=1S/C8H9NO2/c1-11-8(10)6-4-2-3-5-7(6)9/h2-5H,9H2,1H3
FormulaC8H9NO2
PubChem ID8635
Molweight151.165
LogP1.8
Atoms20
Bonds20
H-bond Acceptor2
H-bond Donor1
Chemical ClassificationBenzenoids Amines Esters nitrogen compounds

mVOC Specific Details

Volatilization
The Henry's Law constant for methyl anthranilate is estimated as 1.9X10-6 atm-cu m/mole(SRC) derived from its vapor pressure, 0.027 mm Hg(1), and water solubility, 2,850 mg/liter(2). This Henry's Law constant indicates that methyl anthranilate 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 16 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 178 days(SRC). Methyl anthranilate's estimated Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). Methyl anthranilate is not expected to volatilize from dry soil surfaces(SRC) based upon its vapor pressure(1).
Literature: (1) Perry RH, Green D; Perry's Chemical Handbook. Physical and Chemical data. NY, NY: McGraw-Hill 6th ed (1984) (2) Beilstein Handbook of Organic Chemistry; 4th ed, EIV, 14: 1008 (3) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990)
Soil Adsorption
The Koc of methyl anthranilate is estimated as 250(SRC), using a log Kow of 1.88(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that methyl anthranilate is expected to have moderate mobility in soil(SRC).
Literature: (1) Hansch C et al; Exploring QSAR. Hydrophobic, Electronic, and Steric Constants. ACS Prof Ref Book. Heller SR, consult. ed., Washington, DC: Amer Chem Soc, p. 42 (1995) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 4-9 (1990) (3) Swann RL et al; Res Rev 85: 17-28 (1983)
Vapor Pressure
PressureReference
2.71X10-2 mm Hg @ 25 deg C /Extrapolated/Perry RH, Green D; Perry's Chemical Handbook. Physical and Chemical data. NY, NY: McGraw-Hill 6th ed (1984)
MS-Links

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaChondromyces Crocatusn/aSchulz and Dickschat, 2007
BacteriaChondromyces Crocatus Cm C5n/aSchulz et al., 2004
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaChondromyces Crocatusn/an/a
BacteriaChondromyces Crocatus Cm C5n/an/a


1,4-dimethoxybenzene

Mass-Spectra

Compound Details

Synonymous names
Dimethylether hydrochinonu
Dimethylhydroquinone ether
Dimethyl hydroquinone
Dimethylhydroquinone; Hydroquinone dimethyl ether
Dimethyl ether hydroquinone
HYDROQUINONE DIMETHYL ETHER
OHBQPCCCRFSCAX-UHFFFAOYSA-N
p-Dimethoxybenzene
p-Methoxyanisole
4-Methoxyanisole
Quinol dimethyl ether
Hydroquinone, dimethyl ether
Methyl p-methoxyphenyl ether
p-dimethoxy benzene
AC1Q4FES
Dimethylether hydrochinonu [Czech]
Methyl 4-methoxyphenyl ether
1,4-Dimethoxybenzene
AC1L1S4V
1,4-Dimethoxybenzol
SCHEMBL8489
4-Methoxyphenol, methyl ether
K896
KSC175M9L
1,4-Dimethoxybenzene, analytical standard
ACMC-1C1E3
NSC7483
USAF AN-9
1,4-dimethoxy benzene
1,4-dimethoxy-benzene
24WC6T6X0G
4-Methoxyanisole;Anisole, p-methoxy
BDBM36302
Benzene, p-dimethoxy-
BENZENE,1,4-DIMETHOXY
CTK0H5695
D0629
T7424
1,4-dimethoxy-benzen
Anisole, p-methoxy-
AS06962
LS-878
RP20443
STR02500
CCRIS 5920
HMS2270C23
HSDB 4259
UNII-24WC6T6X0G
ZINC388747
AK109309
BBL003611
CHEMBL1668604
DTXSID0022014
Jsp002876
NSC 7483
NSC-7483
OR034548
SBB060067
STK065405
ZB011683
2-Benzimidazolinone,3-bis(hydroxymethyl)-
Benzene,1,4-dimethoxy-
DSSTox_CID_2014
Hydroquinone dimethyl ether (1,4-Dimethoxybenzene)
USAF uctl-1791
AB1003116
AJ-20759
AN-23314
ANW-21298
DSSTox_GSID_22014
KB-10592
SCHEMBL12015220
ST2403009
TRA0083185
WLN: 1OR DO1
DSSTox_RID_76460
MFCD00008401
ZINC00388747
AI3-24139
DB-013768
RTR-033046
ST51046314
TL80073944
TR-033046
AKOS000119956
Benzene, 1,4-dimethoxy-
I14-7639
W-108072
Z53833835
FEMA No. 2386
FT-0606887
MLS002454408
SMR001252207
2-Benzimidazolinone, 1,3-bis(hydroxymethyl)
Tox21_201333
Tox21_302782
150-78-7
F1908-0181
MCULE-5232933383
NCGC00091220-01
NCGC00091220-02
NCGC00091220-03
NCGC00256564-01
NCGC00258885-01
WLN: T56 BNVNJ B1Q D1Q
1,4-Dimethoxybenzene, 99%, FG
CAS-150-78-7
EINECS 205-771-9
1,4-Dimethoxybenzene, ReagentPlus(R), 99%
MolPort-001-768-565
1,4-Dimethoxybenzene, Vetec(TM) reagent grade, 98%
HYDROQUINONE DIMETHYL ETHER (SEE ALSO: HYDROQUINONE MONOMETHYL ETHER (CAS 150-76-5))
InChI=1/C8H10O2/c1-9-7-3-5-8(10-2)6-4-7/h3-6H,1-2H
IUPAC name1,4-dimethoxybenzene
SMILESCOC1=CC=C(C=C1)OC
InchiInChI=1S/C8H10O2/c1-9-7-3-5-8(10-2)6-4-7/h3-6H,1-2H3
FormulaC8H10O2
PubChem ID9016
Molweight138.166
LogP1.66
Atoms20
Bonds20
H-bond Acceptor2
H-bond Donor0
Chemical ClassificationBenzenoids Ethers

mVOC Specific Details

Volatilization
The Henry's Law constant for hydroquinone dimethyl ether is estimated as 3.5X10-3 atm-cu m/mole(1,SRC). This value indicates that hydroquinone dimethyl ether may volatilize from water surfaces(2,SRC). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep, flowing 1 m/sec) is estimated as approximately 4 hours(2,SRC). The volatilization half-life from a model lake (1 m deep) is estimated as approximately 5 days(2,SRC).
Literature: (1) Meylan W, Howard PH; Environ Toxicol Chem 10: 1283-93 (1991) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods Washington, DC: Amer Chem Soc p. 15-1 to 15-29 (1990)
Soil Adsorption
Based on an experimental log Kow of 2.03(1), the Koc of hydroquinone dimethyl ether is estimated as approximately 300 using a regression-derived equation(2,SRC). According to a suggested classification scheme(3), this estimated Koc value suggests that hydroquinone dimethyl ether will have moderate mobility in soil(SRC).
Literature: (1) Hansch C et al; Exploring QSAR: Hydrophobic, Electronic, and Steric Constants. ACS Profess Ref Book, Washington,DC: Amer Chem Soc (1995) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington DC: Amer Chem Soc pp. 4-9 (1990) (3) Swann RL et al; Res Rev 85: 23 (1983)
Vapor Pressure
PressureReference
Vapor pressure: 8.7X10-2 mm Hg at 25 deg C(est)Lyman WJ; p 31 in Environmental Exposure From Chemicals Vol I, Neely WB, Blau GE(eds), Boca Raton, FL: CRC Press, p 31 (1985)
MS-Links

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaChondromyces Crocatusn/aSchulz and Dickschat, 2007
FungiTuber BrumaleFortywoodland of the Basilicata regionMauriello et al., 2004
BacteriaChondromyces Crocatus Cm C2n/aSchulz et al., 2004
BacteriaChondromyces Crocatus Cm C5n/aSchulz et al., 2004
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaChondromyces Crocatusn/an/a
FungiTuber Brumalemicroextraction–gas chromatography–mass spectrometry analysis (SPME–GC–MS)No
BacteriaChondromyces Crocatus Cm C2n/an/a
BacteriaChondromyces Crocatus Cm C5n/an/a


1-(2-aminophenyl)ethanone

Mass-Spectra

Compound Details

Synonymous names
orthoaminoacetophenone
2'aminoacetophenone
ortho-aminoacetophenone
O-AMINOACETOPHENONE
o-Aminoacetylbenzene
GTDQGKWDWVUKTI-UHFFFAOYSA-
GTDQGKWDWVUKTI-UHFFFAOYSA-N
2'-Aminoacetophenone
2'-Amonioacetophenone
o-Acetylaniline
2-acetylphenylamine
o-Amino acetophenone
VNJ
2-Acetylaniline
2'-Aminoacetophenone, analytical standard
o-Aminophenyl methyl ketone
1-acetyl-aminobenzene
2-(methylcarbonyl)benzeneamine
2'-Amino acetophenone
AC1Q1JXJ
5 kaal
6-acetyl-aniline
AC1L1WL5
AC1Q1JG5
KSC270G2N
1-Acetyl-2-aminobenzene
ACMC-209zid
NSC8820
PubChem21792
2'-Aminoacetophenone, >=98%
A0250
CTK1H0326
2'-Aminoacetophenone, 98%
Acetophenone, 2'-amino-
LS10731
RP20208
SCHEMBL309044
STR00923
1-(2'-aminophenyl)ethanone
HSDB 5494
ZINC164490
1-(2-Aminophenyl)ethanone
BBL011560
CHEMBL2251601
CS-D1191
DTXSID4052213
NSC 8820
NSC-8820
OR000728
OR113119
OR113120
OR252193
PS-4579
SBB058825
STL146696
SY001368
ZB008164
CHEBI:91110
M-5202
69Y77091BC
AC-25881
AJ-16178
AK-27106
AN-23660
ANW-50291
BP-21338
BR-27106
DSSTox_GSID_52213
ETHANONE,1-(AMINOPHENYL)-
SC-25871
TRA0069241
1-(2-Aminophenyl)ethanone #
BB_SC-9205
DSSTox_CID_30784
MFCD00007717
ZINC00164490
1-(2-aminophenyl)-ethanone
AI3-04095
AM20060473
DB-014028
ST24032157
ST51038535
TC-139036
UNII-69Y77091BC
AKOS000120944
J-507741
W-105581
Ethanone, 1-(aminophenyl)-
1-(2-amino-phenyl)-ethanone
Tox21_304027
1-(2-aminophenyl)ethane-1-one
551-93-9
1-(2-aminophenyl)-1-ethanone
1-(2-Aminophenyl)Ethan-1-One
Acetophenone, 2'-amino- (8CI)
MCULE-8977994715
NCGC00357236-01
CAS-551-93-9
EINECS 209-002-8
Ethanone, 1-(2-aminophenyl)-
27941-88-4
MolPort-000-145-929
25384-14-9 (hydrochloride)
InChI=1/C8H9NO/c1-6(10)7-4-2-3-5-8(7)9/h2-5H,9H2,1H3
IUPAC name1-(2-aminophenyl)ethanone
SMILESCC(=O)C1=CC=CC=C1N
InchiInChI=1S/C8H9NO/c1-6(10)7-4-2-3-5-8(7)9/h2-5H,9H2,1H3
FormulaC8H9NO
PubChem ID11086
Molweight135.166
LogP1.35
Atoms19
Bonds19
H-bond Acceptor2
H-bond Donor1
Chemical ClassificationBenzenoids Ketones Amines nitrogen compounds

mVOC Specific Details

Boiling Point
DegreeReference
BP 250-252 DEG C @ 760 MM HG (SOME DECOMP)Budavari, S. (ed.). The Merck Index - Encyclopedia of Chemicals, Drugs and Biologicals. Rahway, NJ: Merck and Co., Inc., 1989., p. 68
Solubility
PRACTICALLY INSOL IN WATER; SOL IN ALC
Literature: Budavari, S. (ed.). The Merck Index - Encyclopedia of Chemicals, Drugs and Biologicals. Rahway, NJ: Merck and Co., Inc., 1989., p. 68
Literature: #SOL IN ETHER
Literature: Lide, D.R. (ed). CRC Handbook of Chemistry and Physics. 72nd ed. Boca Raton, FL: CRC Press, 1991-1992., p. 3-22
MS-Links

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaChondromyces Crocatusn/aSchulz and Dickschat, 2007
BacteriaChondromyces Crocatus Cm C2n/aSchulz et al., 2004
BacteriaChondromyces Crocatus Cm C5n/aSchulz et al., 2004
BacteriaMyxobacterium Spp.n/aDickschat et al., 2004
BacteriaMyxococcus Xanthusn/aSchulz and Dickschat, 2007
BacteriaNannocystis Exedens Na EB37n/aDickschat et al., 2007
BacteriaPseudomonas Aeruginosabreath biomarker for the detection of Ps.aeruginosa infections in the cystic fibrosis lungScott-Thomas et al., 2010
BacteriaPseudomonas Aeruginosa Spp.intermediate product in the biosynthesis of quinalozinesfrom respiratory specimensScott-Thomas et al., 2010
BacteriaStreptomyces Caviscabiesn/aSchulz and Dickschat, 2007
BacteriaStreptomyces Sp. GWS-BW-H5.n/aDickschat et al., 2005_2
BacteriaPseudomonas Aeruginosa PA01nanaBriard et al., 2016
BacteriaBurkholderia Ambifaria LMG 19467Groenhagen et al., 2013
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaChondromyces Crocatusn/an/a
BacteriaChondromyces Crocatus Cm C2n/an/a
BacteriaChondromyces Crocatus Cm C5n/an/a
BacteriaMyxobacterium Spp.n/an/a
BacteriaMyxococcus Xanthusn/an/a
BacteriaNannocystis Exedens Na EB37n/an/a
BacteriaPseudomonas AeruginosaColumbia sheep blood agarSPME/GC-MS
BacteriaPseudomonas Aeruginosa Spp.Sheep Blood agar; Columbia Sheep Blood agar; Mueller-Hinton agar; Luria Bertani agar; M9 Minimal Media broth; laboratory tap waterSPME-GC/MSYes
BacteriaStreptomyces Caviscabiesn/an/a
BacteriaStreptomyces Sp. GWS-BW-H5.n/an/a
BacteriaPseudomonas Aeruginosa PA01minimal medium/ Brian mediumSPME-GC/MSNo
BacteriaBurkholderia Ambifaria LMG 19467Luria-Bertani medium, Malt ExtractYes


2-methoxy-3-methylpyrazine

Mass-Spectra

Compound Details

Synonymous names
VKJIAEQRKBQLLA-UHFFFAOYSA-
VKJIAEQRKBQLLA-UHFFFAOYSA-N
almond pyrazine
chocolate pyrazine A
AC1L2AWW
2-Methoxyl-3-methylpyrazine
PubChem9109
2-Methyl-3-methoxypyrazine
KSC491G2L
3-Methoxy-2-methylpyrazine
2-METHOXY-3-METHYLPYRAZINE
X5872
M0810
CTK3J1325
SCHEMBL422296
NE10427
CHEMBL329881
ACMC-209h2s
UNII-5EL6DY801U component VKJIAEQRKBQLLA-UHFFFAOYSA-N
VP40052
04O7CN9Q85
2-Methoxy-3-methyl-pyrazine
2-methoxy-3-methyl pyrazine
ZINC405269
QC-6823
HE331677
UNII-457UQ35J2T component VKJIAEQRKBQLLA-UHFFFAOYSA-N
ZB013623
Jsp005456
HE000424
AM100621
A836123
UNII-04O7CN9Q85
A819467
TRA0059664
AC-16642
CJ-04063
ANW-26402
AJ-22444
AK-29085
AN-20175
KB-68919
MFCD00006127
ACN-S003351
Pyrazine, 2-methyl-3-methoxy
ZINC00405269
TR-012566
ST50411503
DB-003285
ST24028064
RTR-012566
AKOS015852303
W-104912
I14-1070
I14-0725
Q-100359
2-Methoxy-3-methylpyrazine, 99%
FT-0612784
FT-0657329
FT-0689449
Pyrazine, 2-methoxy-3-methyl-
I14-56159
2847-30-5
MCULE-1881794975
EINECS 220-651-6
EINECS 269-881-9
68378-13-2
2-METHOXY-3(5/6)-METHYL PYRAZINE
PYRAZINE,2-METHOXY-3(OR 5)-METHYL-
MolPort-003-894-598
2-Methoxy-3-methylpyrazine, >=99%, FCC, FG
Pyrazine, 2-methoxy-3(or 5)-methyl-
2- (5 or 6)-Methoxy-3-methylpyrazine (mixture of isomers)
InChI=1/C6H8N2O/c1-5-6(9-2)8-4-3-7-5/h3-4H,1-2H3
IUPAC name2-methoxy-3-methylpyrazine
SMILESCC1=NC=CN=C1OC
InchiInChI=1S/C6H8N2O/c1-5-6(9-2)8-4-3-7-5/h3-4H,1-2H3
FormulaC6H8N2O
PubChem ID17898
Molweight124.143
LogP0.11
Atoms17
Bonds17
H-bond Acceptor3
H-bond Donor0
Chemical ClassificationPyrazines nitrogen containing compounds ethers

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaChondromyces Crocatus Cm C2n/aDickschat et al., 2005_6
BacteriaChondromyces Crocatus Cm C5n/asoil samples with decaying plant material collected on the island of Madeira, Portugal and near Iguaçu, BrazilSchulz et al., 2004
BacteriaChondromyces Crocatus Cm C5 And Chondromyces Crocatus Cm C2soil samples with decaying plant material collected on the island of Madeira, Portugal and near Iguaçu, BrazilSchulz et al., 2004
BacteriaChondromyces Crocatus Cm C2n/aSchulz et al., 2004
BacteriaChondromyces Crocatus Cm C5n/aSchulz et al., 2004
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaChondromyces Crocatus Cm C2n/an/a
BacteriaChondromyces Crocatus Cm C5malt extract CLSA headspace/ GC-ms
BacteriaChondromyces Crocatus Cm C5 And Chondromyces Crocatus Cm C2malt extract CLSA headspace/ GC-ms
BacteriaChondromyces Crocatus Cm C5n/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
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


Compound Details

Synonymous names
Pelargonaldehyde
Nonylaldehyde
Nonanaldehyde
Nonaldehyde
Pelargonic aldehyde
GYHFUZHODSMOHU-UHFFFAOYSA-N
Nonanoic aldehyde
n-Nonylaldehyde
Nonylic aldehyde
Nonoic aldehyde
NONANAL
n-Nonaldehyde
Nonyl aldehyde
n-Nonanal
Nonanal, analytical standard
AC1Q2VXK
1-Nonaldehyde
n-NONYL ALDEHYDE
Aldehyde C9
1-Nonanal
1-Nonyl aldehyde
AC1L1LC8
2L2WBY9K6T
NONYL ALDEHYDE,N-
ACMC-1BPU8
C-9 aldehyde
Aldehyde C-9
2984AD
NSC5518
UNII-2L2WBY9K6T
SCHEMBL22860
WLN: VH8
Nonanal, 95%
QSPL 015
CTK0H8261
CCRIS 664
N0296
C9-11-Aldehydes
Nonyl aldehyde, n-
LS-694
C9-11 Aldehydes
n-Nonan-1-al
HSDB 7229
NSC 5518
NSC-5518
SBB059872
SCHEMBL8876408
LP109307
CHEMBL2228376
DTXSID9021639
ZINC1686990
NCI-C61018
C-4492
CHEBI:84268
DSSTox_CID_1639
TRA0004138
KB-58723
AN-43522
ANW-18196
DSSTox_GSID_21639
MFCD00007030
DSSTox_RID_76253
Nonanal, >=95%, FCC
LMFA06000040
ST51046137
TR-003756
DB-041769
AI3-04859
RTR-003756
J-005053
AKOS009158987
FEMA No. 2782
FT-0631724
BRN 1236701
I14-13650
Tox21_303603
Nonanal, natural, 97%, FG
124-19-6
NCGC00257442-01
EINECS 278-296-8
CAS-124-19-6
EINECS 204-688-5
918959-88-3
MolPort-001-783-881
4-01-00-03352 (Beilstein Handbook Reference)
IUPAC namenonanal
SMILESCCCCCCCCC=O
InchiInChI=1S/C9H18O/c1-2-3-4-5-6-7-8-9-10/h9H,2-8H2,1H3
FormulaC9H18O
PubChem ID31289
Molweight142.242
LogP2.99
Atoms28
Bonds27
H-bond Acceptor1
H-bond Donor0
Chemical ClassificationAldehydes

mVOC Specific Details

Volatilization
The Henry's Law constant for nonanal is 7.34X10-4 atm-cu m/mole(1). This Henry's Law constant indicates that nonanal 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 hours(SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(2) is estimated as 5 days(SRC). Nonanal's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). Nonanal is not expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 0.37 mm Hg(3) and the detectable odor.
Literature: (1) Buttery RG et al; J Agric Food Chem 17: 385-9 (1969) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (3) Daubert TE, Danner RP; Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, DC: Taylor and Francis (1989)
Soil Adsorption
Using a structure estimation method based on molecular connectivity indices(1), the Koc of nonanal can be estimated to be 40(SRC). According to a classification scheme(2), this estimated Koc value suggests that nonanal 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 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
3.7X10-1 mm Hg at 25 deg C /Extrapolated/Daubert, T.E., R.P. Danner. Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, D.C.: Taylor and Francis, 1989.
MS-Links
1D-NMR-Links

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
FungiGanoderma Lucidumnasaprophytic on deciduous treesZiegenbein et al., 2006
FungiPuccinia Graminis Var. TriticiProbably an active stimulator of germinatinon of uredospores of Puccinia graminis.Stotzky and Schenk, 1976
FungiSpongiporus Leucomallellusnasaprophytic mostly on wet, old pinesZiegenbein et al., 2006
BacteriaBacillus Pumilus ES4promotion of performance of Chlorella sorokiniana ShihAmavizca et al. 2017
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
BacteriaCarnobacterium Divergens 9Pn/aErcolini et al., 2009
BacteriaChondromyces CrocatusActive against the phytopathogenic fungus Sclerotinia sclerotiorumSchulz and Dickschat, 2007
BacteriaChondromyces Crocatus Cm C2n/aSchulz et al., 2004
BacteriaChondromyces Crocatus Cm C5n/aSchulz et al., 2004
BacteriaCollimonas Pratensis TER91narhizosphere of Marram grass in sandy dune soils, NetherlandsGarbeva et al., 2014
BacteriaLactobacillus Paracasei CIRM849naMajorero cheesePogačić et al., 2016
BacteriaPaenibacillus Sp. P4narhizosphere of Marram grass in sandy dune soils, NetherlandsGarbeva et al., 2014
BacteriaPedobacter Sp. V48narhizosphere of Marram grass in sandy dune soils, NetherlandsGarbeva et al., 2014
BacteriaPhormidium Sp.n/aHoeckelmann et al., 2004
BacteriaPlectonema Notatumn/aHoeckelmann et al., 2004
BacteriaPlectonema Sp.n/aHoeckelmann et al., 2004
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 Fragi 25Pn/aErcolini et al., 2009
BacteriaRivularia Sp.n/aHoeckelmann et al., 2004
BacteriaSerratia Plymuthica PRI-2Cnamaize rhizosphere, NetherlandsGarbeva et al., 2014
BacteriaTolypothrix Distortan/aHoeckelmann et al., 2004
FungiAscocoryne Sarcoides NRRL 50072n/aMallette et al. 2012
FungiFusarium Graminearum 15AcDONn/aBusko et al., 2014
FungiFusarium Graminearum 15AcDON 1001tan/aBusko et al., 2014
FungiFusarium Graminearum 15AcDON ZFR 29n/aBusko et al., 2014
FungiFusarium Graminearum 15AcDON_4n/aBusko et al., 2014
FungiFusarium Graminearum 15AcDON_5n/aBusko et al., 2014
FungiFusarium Graminearum 15AcDON_6n/aBusko et al., 2014
FungiFusarium Graminearum 15AcDON_7n/aBusko et al., 2014
FungiFusarium Graminearum 15AcDON_8n/aBusko et al., 2014
FungiFusarium Graminearum 15AcDON_9n/aBusko et al., 2014
FungiFusarium Graminearum 3AcDON 1002tn/aBusko et al., 2014
FungiFusarium Graminearum 3AcDON 11791n/aBusko et al., 2014
FungiFusarium Graminearum 3AcDON 1509n/aBusko et al., 2014
FungiFusarium Graminearum 3AcDON 8046n/aBusko et al., 2014
FungiFusarium Graminearum 3AcDON NRRL38369n/aBusko et al., 2014
FungiFusarium Graminearum 3AcDON NRRL6394n/aBusko et al., 2014
FungiFusarium Graminearum 3AcDON ZFR 15n/aBusko et al., 2014
FungiFusarium Graminearum 3AcDON ZFR 37n/aBusko et al., 2014
FungiFusarium Graminearum 3AcDON ZFR 51n/aBusko et al., 2014
FungiFusarium Graminearum NIVn/aBusko et al., 2014
FungiFusarium Graminearum NIV 357n/aBusko et al., 2014
FungiFusarium Graminearum NIV ZFR 119n/aBusko et al., 2014
FungiFusarium Graminearum NIV ZFR 23n/aBusko et al., 2014
FungiFusarium Graminearum NIV ZFR 48n/aBusko et al., 2014
FungiFusarium Graminearum NIV_5n/aBusko et al., 2014
FungiFusarium Graminearum NIV_6n/aBusko et al., 2014
FungiFusarium Graminearum NIV_7n/aBusko et al., 2014
FungiFusarium Graminearum NIV_8n/aBusko et al., 2014
FungiPenicillium Paneum (Conidia)n/aChitarra et al., 2004
FungiPleurotus Eryngii Var. TuoliensisnanaUsami et al., 2014
FungiTrichodema Viriden/aWheatley et al., 1997
FungiTrichoderma VirideHung et al., 2013
FungiTuber Aestivumn/aAgricultural Centre of Castilla and León Community (Monasterio de la Santa Espina, Valladolid, Spain) and Navaleno (Soria, Spain).Diaz et al., 2003
FungiTuber Melanosporumn/aAgricultural Centre of Castilla and León Community (Monasterio de la Santa Espina, Valladolid, Spain) and Navaleno (Soria, Spain).Diaz et al., 2003
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
FungiGanoderma LucidumnaGC/MSNo
FungiPuccinia Graminis Var. Triticin/an/a
FungiSpongiporus LeucomallellusnaGC/MSNo
BacteriaBacillus Pumilus ES4TSASPME-GCno
BacteriaBiofilms A (Rivularia Sp./Calothrix Parietina Community)n/an/a
BacteriaCalothrix Parietina PCC 6303n/an/a
BacteriaCalothrix Sp.n/an/a
BacteriaCarnobacterium Divergens 9Pn/an/a
BacteriaChondromyces Crocatusn/an/a
BacteriaChondromyces Crocatus Cm C2n/an/a
BacteriaChondromyces Crocatus Cm C5n/an/a
BacteriaCollimonas Pratensis TER91sand containing artificial root exudatesGC/MSNo
BacteriaLactobacillus Paracasei CIRM849curd-based broth mediumGC/MSYes
BacteriaPaenibacillus Sp. P4sand containing artificial root exudatesGC/MSNo
BacteriaPedobacter Sp. V48sand containing artificial root exudatesGC/MSNo
BacteriaPhormidium Sp.n/an/a
BacteriaPlectonema Notatumn/an/a
BacteriaPlectonema Sp.n/an/a
BacteriaPseudomonas Aurantiacan/an/a
BacteriaPseudomonas Chlororaphisn/an/a
BacteriaPseudomonas Corrugaten/an/a
BacteriaPseudomonas Fluorescensn/an/a
BacteriaPseudomonas Fragi 25Pn/an/a
BacteriaRivularia Sp.n/an/a
BacteriaSerratia Plymuthica PRI-2Csand containing artificial root exudatesGC/MSNo
BacteriaTolypothrix Distortan/an/a
FungiAscocoryne Sarcoides NRRL 50072Minimal mediumPTR-MS and SPME GC-MS
FungiFusarium Graminearum 15AcDONyeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 15AcDON 1001tayeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 15AcDON ZFR 29yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 15AcDON_4yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 15AcDON_5yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 15AcDON_6yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 15AcDON_7yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 15AcDON_8yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 15AcDON_9yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 3AcDON 1002tyeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 3AcDON 11791yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 3AcDON 1509yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 3AcDON 8046yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 3AcDON NRRL38369yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 3AcDON NRRL6394yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 3AcDON ZFR 15yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 3AcDON ZFR 37yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 3AcDON ZFR 51yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum NIVyeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum NIV 357yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum NIV ZFR 119yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum NIV ZFR 23yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum NIV ZFR 48yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum NIV_5yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum NIV_6yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum NIV_7yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum NIV_8yeast extract sucrose agarSPME/GC-MS
FungiPenicillium Paneum (Conidia)Malt extract mediumHeadspace analysis using a Fisons Instruments autosampler HS 800 (Interscience, Breda, The Netherlands) GC/MS.
FungiPleurotus Eryngii Var. TuoliensisnaGC/MS, GC-O, AEDANo
FungiTrichodema VirideLow mediumGC/MS
FungiTrichoderma VirideMalt extract agar Headspace volatiles collected with colomn/TD-GC-MSYes
FungiTuber Aestivumn/aHeadspace solid-phase microextraction (HS-SPME) combined with GC-MS
FungiTuber Melanosporumn/aHeadspace solid-phase microextraction (HS-SPME) combined with GC-MS


2-methoxy-3-propan-2-ylpyrazine

Mass-Spectra

Compound Details

Synonymous names
Isopropylmethoxypyrazine
Isopropyl methylpyrazine
NTOPKICPEQUPPH-UHFFFAOYSA-
NTOPKICPEQUPPH-UHFFFAOYSA-N
bean pyrazine
IPZ
ACMC-1CRZG
1qy2
3-isopropyl-2-methoxypyrazine
AC1L1P2W
2-Methoxy-3-isopropylpyrazine
2-ISOPROPYL-3-METHOXYPYRAZINE
PubChem8619
KSC495G2B
L292
CHEMBL96852
2133AB
2-Methoxy-3-isopropyl pyrazine
I0577
BDBM12030
2-Isopropyl-3-methoxy-pyrazine
CTK3J5320
SCHEMBL111252
UNII-C90S36R5GY component NTOPKICPEQUPPH-UHFFFAOYSA-N
VP40051
DB01760
ZINC156526
1FL7L111A6
ZB006364
2-methoxy-3-(methylethyl)pyrazine
DTXSID4067147
Jsp005094
AK116762
HE000985
HE189650
UNII-1FL7L111A6
A818004
CJ-01525
TRA0070164
SC-02934
Pyrazine, methoxy(1-methylethyl)-
AJ-13830
AN-24733
ANW-25811
CC-11168
FCH1115224
AX8023188
ZINC00156526
C-03071
MFCD00006135
Click) IUPAC Name :2
KB-173342
DB-021269
TC-064041
ST50307153
2-methoxy-3-propan-2-ylpyrazine
RTC-064041
2-Isopropyl-3-methoxypyrazine, 97%
W-107219
I14-1189
AKOS015851854
FEMA No. 3358
FT-0612705
2-methoxy-3-propan-2-yl-pyrazine
MCULE-8538729762
EINECS 247-256-1
2-methoxy-3-(propan-2-yl)pyrazine
EINECS 299-837-4
2-Isopropyl-3-methoxypyrazine, 99%, FG
25773-40-4
MolPort-002-343-990
Pyrazine, 2-methoxy-3-(1-methylethyl)-
InChI=1/C8H12N2O/c1-6(2)7-8(11-3)10-5-4-9-7/h4-6H,1-3H3
IUPAC name2-methoxy-3-propan-2-ylpyrazine
SMILESCC(C)C1=NC=CN=C1OC
InchiInChI=1S/C8H12N2O/c1-6(2)7-8(11-3)10-5-4-9-7/h4-6H,1-3H3
FormulaC8H12N2O
PubChem ID33166
Molweight152.197
LogP1.35
Atoms23
Bonds23
H-bond Acceptor3
H-bond Donor0
Chemical ClassificationPyrazines Ethers nitrogen containing compounds

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaChondromyces Crocatus Cm C2n/aSchulz et al., 2004
BacteriaChondromyces Crocatus Cm C5n/aSchulz et al., 2004
BacteriaPseudomonas Taetroleusn/aSchulz and Dickschat, 2007
BacteriaPseudomonas Perolens ATCC 10757nasterile fish muscle (Sebastes melanops)Miller et al., 1973
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaChondromyces Crocatus Cm C2n/an/a
BacteriaChondromyces Crocatus Cm C5n/an/a
BacteriaPseudomonas Taetroleusn/an/a
BacteriaPseudomonas Perolens ATCC 10757Trypticase soil agar (BBL)GC/MS


2-propan-2-ylpyrazine

Mass-Spectra

Compound Details

Synonymous names
Isopropylpyrazine
GIMBKDZNMKTZMG-UHFFFAOYSA-N
isopropyl pyrazine
2-Isopropylpyrazine
2-Isopropylpyrazine, AldrichCPR
AC1L1RVR
2-Isopropyl pyrazine
ACMC-20anse
(1-Methylethyl)pyrazine
R572
2-propan-2-ylpyrazine
SCHEMBL681871
AK111510
HE019836
FCH917805
DTXSID5067471
A819924
ZINC2011524
14XE115G58
KB-24784
CJ-31133
AX8076162
AJ-32517
ZINC02011524
C-46863
MFCD00060871
DB-003282
UNII-14XE115G58
TC-170501
ST51054015
ACM29460900
2-(propan-2-yl)pyrazine
W-106988
AKOS006229986
I14-1068
Pyrazine, (1-methylethyl)-
FT-0657047
Pyrazine, 2-(1-methylethyl)-
EINECS 249-646-7
29460-90-0
IUPAC name2-propan-2-ylpyrazine
SMILESCC(C)C1=NC=CN=C1
InchiInChI=1S/C7H10N2/c1-6(2)7-5-8-3-4-9-7/h3-6H,1-2H3
FormulaC7H10N2
PubChem ID34590
Molweight122.171
LogP0.91
Atoms19
Bonds19
H-bond Acceptor2
H-bond Donor0
Chemical ClassificationPyrazines nitrogen containing compounds nitrogen compounds heterocyclic compounds

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaChondromyces Crocatus Cm C2n/aSchulz et al., 2004
BacteriaChondromyces Crocatus Cm C5n/aSchulz et al., 2004
BacteriaPaenibacillus Polymyxa Sb3-1collection TU GrazRybakova et al. 2017
BacteriaChondromyces Crocatusn/aSchulz and Dickschat, 2007
BacteriaPaenibacillus Polymyxan/aSchulz and Dickschat, 2007
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaChondromyces Crocatus Cm C2n/an/a
BacteriaChondromyces Crocatus Cm C5n/an/a
BacteriaPaenibacillus Polymyxa Sb3-1GC-MS / SPMEno
BacteriaChondromyces Crocatusn/an/a
BacteriaPaenibacillus Polymyxan/an/a


Methyl 2-methoxybenzoate

Mass-Spectra

Compound Details

Synonymous names
Dimethyl salicylate
Methylsalicylate methyl ether
PFYHAAAQPNMZHO-UHFFFAOYSA-N
methyl2-methoxybenzoate
Methyl o-methoxybenzoate
Methyol o-methoxybenzoate
methyl ortho-anisate
Dimethyl derivative of Salicylic acid
Methyl 2-methoxybenzoate
o-Methoxy methyl benzoate
AC1L1UMU
o-Methoxybenzoic acid methyl ester
Methyl o-methoxy benzoate
Methyl o-anisate
ACMC-1BCWD
Methyl salicylate o-methyl ether
2-Methoxybenzoic acid methyl
SB18J2MCQL
Methyl ester of o-Methoxybenzoic acid
2-Methoxybenzoic Acid Methyl Ester
Methyl 2-methoxy-benzoate
o-Anisic Acid Methyl Ester
o-Methoxybenzoic acid, methyl ester
UNII-SB18J2MCQL
Methoxy methylbenzoate, o-
KSC494C1L
PubChem20353
2-Methoxybenzoic acid, methyl ester
CTK3J4115
2-methoxy-benzoic acid methyl ester
A0483
SCHEMBL196037
o-Anisic acid, methyl ester
ZINC409176
Methyl 2-methoxybenzoate, >=97%
BBL010503
Methyl 2-methoxybenzoate, 99%
NSC406256
LS-2939
GS-6864
OR011232
SBB061390
DTXSID5047087
STL146150
CHEMBL2252121
ZB013847
AB1008271
AJ-22658
AN-21606
ANW-33546
AK-94060
Methyl o-anisate; 2-Methoxybenzoic acid methyl ester
CJ-04168
DSSTox_GSID_47087
KB-53940
BB_SC-6845
ZINC00409176
DSSTox_CID_27087
MFCD00008423
DSSTox_RID_82099
DB-013416
TL80090629
ST50331830
ST24030974
RT-001876
AI3-00680
NSC 406256
NSC-406256
AKOS005715211
I01-6185
W-105239
Benzoic acid, o-methoxy-, methyl ester
FT-0612822
FEMA No. 2717
BRN 2207356
Tox21_302334
BENZOIC ACID, 2-METHOXY-, METHYL ESTER
606-45-1
NCGC00256043-01
MCULE-7991158417
EINECS 210-118-6
CAS-606-45-1
MolPort-003-928-750
o-Anisic acid, methyl ester (7CI,8CI)
AE-562/40238261
4-10-00-00144 (Beilstein Handbook Reference)
InChI=1/C9H10O3/c1-11-8-6-4-3-5-7(8)9(10)12-2/h3-6H,1-2H
IUPAC namemethyl 2-methoxybenzoate
SMILESCOC1=CC=CC=C1C(=O)OC
InchiInChI=1S/C9H10O3/c1-11-8-6-4-3-5-7(8)9(10)12-2/h3-6H,1-2H3
FormulaC9H10O3
PubChem ID61151
Molweight166.176
LogP1.82
Atoms22
Bonds22
H-bond Acceptor2
H-bond Donor0
Chemical ClassificationBenzenoids Esters Ethers

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaChondromyces Crocatusn/aSchulz and Dickschat, 2007
BacteriaChondromyces Crocatus Cm C2n/aSchulz et al., 2004
BacteriaChondromyces Crocatus Cm C5n/aSchulz et al., 2004
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaChondromyces Crocatusn/an/a
BacteriaChondromyces Crocatus Cm C2n/an/a
BacteriaChondromyces Crocatus Cm C5n/an/a


2-methyl-5-propan-2-ylpyrazine

Compound Details

Synonymous names
PGTQKVQDZHXLOP-UHFFFAOYSA-N
AC1L1VRA
2-Isopropyl-5-methylpyrazine
2-Methyl-5-isopropylpyrazine
5-Isopropyl-2-methylpyrazine
CTK4C1701
SCHEMBL179362
2-methyl-5-isopropyl pyrazine
818RIW504V
DTXSID7065677
HE094544
HE030272
UNII-818RIW504V
ZINC1850662
2-methyl-5-propan-2-ylpyrazine
KB-173344
AKOS006326657
FEMA No. 3554
Pyrazine, 2-isopropyl-5-methyl-
I14-44938
2-Methyl-5-(1-methylethyl)pyrazine
2-methyl-5-(propan-2-yl)pyrazine
13925-05-8
Pyrazine,2-methyl-5-(1-methylethyl)-
Pyrazine, 2-methyl-5-(1-methylethyl)-
IUPAC name2-methyl-5-propan-2-ylpyrazine
SMILESCC1=CN=C(C=N1)C(C)C
InchiInChI=1S/C8H12N2/c1-6(2)8-5-9-7(3)4-10-8/h4-6H,1-3H3
FormulaC8H12N2
PubChem ID61700
Molweight136.198
LogP1.04
Atoms22
Bonds22
H-bond Acceptor2
H-bond Donor0
Chemical ClassificationPyrazines nitrogen containing compounds nitrogen compounds nitrogen compounds heterocylces

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaChondromyces Crocatus Cm C2n/aSchulz et al., 2004
BacteriaChondromyces Crocatus Cm C5n/aSchulz et al., 2004
FungiPleurotus CystidiosusnanaUsami et al., 2014
BacteriaBurkholderia Ambifaria LMG 17828n/aBurkholderia ambifaria LMG 17828 from root, LMG 19182 from rhizosphereGroenhagen et al., 2013
BacteriaBurkholderia Ambifaria LMG 19182n/aBurkholderia ambifaria LMG 17828 from root, LMG 19182 from rhizosphereGroenhagen et al., 2013
BacteriaChondromyces Crocatusn/aSchulz and Dickschat, 2007
BacteriaKlebsiella Pneumoniaen/aSchulz and Dickschat, 2007
BacteriaPaenibacillus Polymyxan/aSchulz and Dickschat, 2007
BacteriaDinoroseobacter Shibae Strain DFL-27n/aDickschat et al., 2005_6
BacteriaJannaschia Helgolandensis Strain HEL-26n/aDickschat et al., 2005_6
BacteriaLoktanella Hongkongensis Strain Bio-204n/aDickschat et al., 2005_6
BacteriaOceanibulbus Indolifex HEL-45n/aDickschat et al., 2005_6
BacteriaRoseobacter Gallaeciensis Strain PIC-68n/aDickschat et al., 2005_6
BacteriaStappia Marina Strain DFL-11n/aDickschat et al., 2005_6
BacteriaSulfitobacter Pontiacus BIO-007n/aDickschat et al., 2005_6
BacteriaSulfitobacter Sp. PIC-70n/aDickschat et al., 2005_6
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaChondromyces Crocatus Cm C2n/an/a
BacteriaChondromyces Crocatus Cm C5n/an/a
FungiPleurotus CystidiosusnaGC/MS, GC-O, AEDANo
BacteriaBurkholderia Ambifaria LMG 17828Luria-Bertani medium, Malt Extractn/a
BacteriaBurkholderia Ambifaria LMG 19182Luria-Bertani medium, Malt Extractn/a
BacteriaChondromyces Crocatusn/an/a
BacteriaKlebsiella Pneumoniaen/an/a
BacteriaPaenibacillus Polymyxan/an/a
BacteriaDinoroseobacter Shibae Strain DFL-27n/an/a
BacteriaJannaschia Helgolandensis Strain HEL-26n/an/a
BacteriaLoktanella Hongkongensis Strain Bio-204n/an/a
BacteriaOceanibulbus Indolifex HEL-45n/an/a
BacteriaRoseobacter Gallaeciensis Strain PIC-68n/an/a
BacteriaStappia Marina Strain DFL-11n/an/a
BacteriaSulfitobacter Pontiacus BIO-007n/an/a
BacteriaSulfitobacter Sp. PIC-70n/an/a


4,7-dimethyl-1-propan-2-yl-2,3,4,5,6,8a-hexahydro-1H-naphthalen-4a-ol

Mass-Spectra

Compound Details

Synonymous names
Epicubenol
COGPRPSWSKLKTF-UHFFFAOYSA-N
Cubenol
AC1LAT85
1-epi-Cubenol
4-Muurolen-1-ol
OR092197
(-)-Cubenol
SCHEMBL14350491
10.beta.H-Cadin-4-en-1-ol
1-Isopropyl-4,7-dimethyl-1,3,4,5,6,8a-hexahydro-4a(2H)-naphthalenol
4,7-dimethyl-1-propan-2-yl-2,3,4,5,6,8a-hexahydro-1H-naphthalen-4a-ol
4,7-dimethyl-1-(propan-2-yl)-1,2,3,4,4a,5,6,8a-octahydronaphthalen-4a-ol
1-Isopropyl-4,7-dimethyl-1,3,4,5,6,8a-hexahydro-4a(2H)-naphthalenol-, [1S-(1.alpha.,4.beta.,4a.beta.,8a.alpha.)]-
4a(2H)-Naphthalenol, 1,3,4,5,6,8a-hexahydro-4,7-dimethyl-1-(1-methylethyl)-, (1S-(1alpha,4beta,4aalpha,8aalpha))-
IUPAC name4,7-dimethyl-1-propan-2-yl-2,3,4,5,6,8a-hexahydro-1H-naphthalen-4a-ol
SMILESCC1CCC(C2C1(CCC(=C2)C)O)C(C)C
InchiInChI=1S/C15H26O/c1-10(2)13-6-5-12(4)15(16)8-7-11(3)9-14(13)15/h9-10,12-14,16H,5-8H2,1-4H3
FormulaC15H26O
PubChem ID519857
Molweight222.372
LogP3.69
Atoms42
Bonds43
H-bond Acceptor1
H-bond Donor1
Chemical ClassificationTerpenes Alcohols Alkenes

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaChondromyces Crocatusn/aSchulz and Dickschat, 2007
BacteriaChondromyces Crocatus Cm C2n/aDickschat et al., 2005_6
BacteriaChondromyces Crocatus Cm C5n/aDickschat et al., 2005_6
BacteriaStreptomyces Caviscabiesn/aSchulz and Dickschat, 2007
FungiFomitopsis PinicolanaGermanyRösecke et al., 2000
FungiPiptoporus BetulinusnaSachsenwald near HamburgRösecke et al., 2000
FungiPleurotus CystidiosusnanaUsami et al., 2014
FungiPleurotus Eryngii Var. TuoliensisnanaUsami et al., 2014
BacteriaChondromyces Crocatus Cm C2n/aSchulz et al., 2004
BacteriaChondromyces Crocatus Cm C5n/aSchulz et al., 2004
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaChondromyces Crocatusn/an/a
BacteriaChondromyces Crocatus Cm C2n/an/a
BacteriaChondromyces Crocatus Cm C5n/an/a
BacteriaStreptomyces Caviscabiesn/an/a
FungiFomitopsis PinicolanaGC/MSNo
FungiPiptoporus BetulinusnaGC/MSNo
FungiPleurotus CystidiosusnaGC/MS, GC-O, AEDANo
FungiPleurotus Eryngii Var. TuoliensisnaGC/MS, GC-O, AEDANo


2-butan-2-yl-3-methoxypyrazine

Mass-Spectra

Compound Details

Synonymous names
asparagus pyrazine
QMQDJVIJVPEQHE-UHFFFAOYSA-
QMQDJVIJVPEQHE-UHFFFAOYSA-N
AC1LATOZ
L293
KSC495G0L
CHEMBL94514
ACMC-1CQ74
B2959
CTK3J5305
SCHEMBL424900
VP40049
2-Methoxy-3-sec-butylpyrazine
2-sec-Butyl-3-methoxypyrazine
3-sec-Butyl-2-methoxypyrazine
DTXSID0047082
HE001377
Jsp004819
HE153516
HE303102
2-methoxy-3-(methylpropyl)pyrazine
SY015398
Z-4313
FCH1118636
DSSTox_GSID_47082
KB-68920
CC-11164
ANW-25347
2-Methoxy-3-sec-butyl pyrazine
2-methoxy-3-sec-butyl-pyrazine
AC-11164
AK-89666
AN-18081
AX8019600
DSSTox_CID_27082
DSSTox_RID_82094
ACN-S003343
MFCD00006136
C-04803
RTR-011178
DB-003286
ST24039767
ST45024222
ACM24168705
TR-011178
2-butan-2-yl-3-methoxypyrazine
AKOS003381940
AKOS016843169
I02-2585
I01-1849
2-methoxy-3-(sec-butyl)pyrazine
FEMA No. 3433
TRA-0186075
2-(sec-Butyl)-3-methoxypyrazine
2-Methoxy-3-(1-methylpropyl)pyrazine
Tox21_301823
2-sec-Butyl-3-methoxypyrazine, 99%
Pyrazine, 2-methoxy, 3-sec-butyl
Pyrazine, 2-sec-butyl-3-methoxy-
MCULE-8146733912
NCGC00256160-01
EINECS 246-050-9
2-(butan-2-yl)-3-methoxypyrazine
24168-70-5
Pyrazine, 3-methoxy-2-(1-methylpropyl)
2-Methoxy-3-(1-methyl-propyl) pyrazine
123625-20-7
MolPort-003-928-426
CAS-24168-70-5
Pyrazine, 2-methoxy-3-(1-methylpropyl)-
2-Methoxy-3-(1-methylpropyl)pyrazine, >=98%, FG
PYRAZINE, 2-METHOXY-3-(1-METHYLPROPYL)-, (S)-
InChI=1/C9H14N2O/c1-4-7(2)8-9(12-3)11-6-5-10-8/h5-7H,4H2,1-3H3
IUPAC name2-butan-2-yl-3-methoxypyrazine
SMILESCCC(C)C1=NC=CN=C1OC
InchiInChI=1S/C9H14N2O/c1-4-7(2)8-9(12-3)11-6-5-10-8/h5-7H,4H2,1-3H3
FormulaC9H14N2O
PubChem ID520098
Molweight166.224
LogP1.79
Atoms26
Bonds26
H-bond Acceptor3
H-bond Donor0
Chemical ClassificationPyrazines Ethers nitrogen containing compounds

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaChondromyces Crocatus Cm C2n/aDickschat et al., 2005_6
BacteriaChondromyces Crocatus Cm C5n/aDickschat et al., 2005_6
BacteriaChondromyces Crocatus Cm C2n/aSchulz et al., 2004
BacteriaChondromyces Crocatus Cm C5n/aSchulz et al., 2004
BacteriaStreptomyces Sp. GWS-BW-H5.n/aDickschat et al., 2005_2
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaChondromyces Crocatus Cm C2n/an/a
BacteriaChondromyces Crocatus Cm C5n/an/a
BacteriaStreptomyces Sp. GWS-BW-H5.n/an/a


2,3-dimethyl-5-propan-2-ylpyrazine

Compound Details

Synonymous names
JTIYGJBEUZEJAB-UHFFFAOYSA-N
AC1LB2KH
AC1Q4WO3
5550AB
CHEMBL95042
CTK4I3770
2,3-dimethyl-5-isopropylpyrazine
5-isopropyl-2,3-dimethylpyrazine
SCHEMBL6129987
FCH850565
AK113466
HE107069
HE000955
A825289
DTXSID50335950
CC-06994
AX8011388
AJ-82622
KB-17025
ZINC26715965
C-02867
DB-049656
ACM40790214
ST24029501
AKOS006294965
FT-0639670
I14-13665
2,3-dimethyl-5-propan-2-ylpyrazine
40790-21-4
2,3-dimethyl-5-propan-2-yl-pyrazine
MolPort-004-792-394
Pyrazine, 2,3-dimethyl-5-(1-methylethyl)
Pyrazine,2,3-dimethyl-5-(1-methylethyl)-
IUPAC name2,3-dimethyl-5-propan-2-ylpyrazine
SMILESCC1=NC=C(N=C1C)C(C)C
InchiInChI=1S/C9H14N2/c1-6(2)9-5-10-7(3)8(4)11-9/h5-6H,1-4H3
FormulaC9H14N2
PubChem ID528109
Molweight150.225
LogP1.18
Atoms25
Bonds25
H-bond Acceptor2
H-bond Donor0
Chemical ClassificationPyrazines nitrogen compounds

mVOC Specific Details


Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaChondromyces Crocatus Cm C2n/aSchulz et al., 2004
BacteriaChondromyces Crocatus Cm C5n/aDickschat et al., 2005_6
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaChondromyces Crocatus Cm C2n/an/a
BacteriaChondromyces Crocatus Cm C5n/an/a