Results for:
Species: mix of bacteria(Serratia proteamaculans 42M

4,6,6-trimethylbicyclo[3.1.1]hept-3-ene

Mass-Spectra

Compound Details

Synonymous names
Phosphosulfurized alpha-pinene
ALPHA-PINENEPOLYMER
alphapinene
GRWFGVWFFZKLTI-UHFFFAOYSA-N
Cyclic dexadiene
alpha-Pinene, phosphosulfurized
Pinene isomer
alpha pinene
ALPHA-PINENE
Sylvapine A
Acintene A
Acitene A
Wilt Pruf
Alpha Pinene PF
DL-ALPHA-PINENE
2-Pinene
PINENE, ALPHA
1R-alpha-Pinene
AC1L1N0D
alpha-pinene, pinene
alpha-Pinene(dextro)
1R-a-Pinene
.alpha.-Pinene
alpha-Pinene (natural)
NSC7727
pin-2-ene
UN2368
CCRIS 697
CTK5E7908
HMDB06525
HSDB 720
CHEMBL442565
NSC94522
NSC94523
PC 500
alpha [D] Pinene
alpha [L] Pinene
C09880
BT000143
DTXSID4026501
FEMA Number 2902
LS-2348
NSC 7727
NSC-7727
OR038360
OR246844
OR249294
Pinene, .alpha.
SBB060477
UN 2368
1R-.alpha.-Pinene
1S-.alpha.-Pinene
CHEBI:36740
DSSTox_CID_6501
AN-19420
AN-19426
AN-42193
DSSTox_GSID_26501
NSC-94522
NSC-94523
SC-18193
DSSTox_RID_78126
PINENE, ALPHA (D)
PINENE, ALPHA (L)
AI3-24594
ST51046656
AKOS000121239
Q-201582
(+)-a-Pinene
BRN 3194807
FEMA No. 2902
FT-0604379
FT-0604414
FT-0622197
FT-0698080
pin-2(3)-ene
(R)-.alpha.-Pinene
80-56-8
(+-)-alpha-pinene
Tox21_110996
Tox21_200108
Tox21_303385
1R-(+)-alpha-pinene
alpha-Pinene, phosphorus pentasulfide reaction product (4:1)
DL-Pin-2(3)-ene
CAS-80-56-8
1R-(+)-a-pinene
MCULE-3589656574
NCGC00090682-01
NCGC00090682-02
NCGC00257379-01
NCGC00257662-01
(+-)-2-pinene
(+/-)-alpha-Pinene
EINECS 201-291-9
EINECS 219-445-9
EINECS 267-032-7
25766-18-1
39388-04-0
39423-40-0
50815-61-7
53569-35-0
56833-58-0
57762-87-5
67762-73-6
68411-25-6
72510-05-5
102640-64-2
103657-08-5
459844-87-2
alpha-Pinene [UN2368] [Flammable liquid]
(+/-)-2-Pinene
MolPort-003-926-536
(1R)-(+)-a-Pinene
(+)-Pin-2(3)-ene
2,6-Trimethylbicyclo[3.1.1]-2-heptene
(.+/-.)-.alpha.-Pinene
2,6,6-Trimethylbicyclo(3.1.1)hept-2-ene
2,6,6-Trimethylbicyclo[3.1.1]-2-heptene
2,6,6-Trimethylbicyclo[3.1.1]hept-2-ene
4,6,6-trimethylbicyclo[3.1.1]hept-3-ene
4,6,6-Trimethylbicyklo(3,1,1)hept-3-en
Bicyclo[3.1.1]hept-2-ene,6,6-trimethyl-
2,6-Trimethylbicyclo[3.1.1]-2-hept-2-ene
2,6,6-trimethyl-Bicyclo(3.1.1)hept-2-ene
2,6,6-trimethyl-bicyclo[3.1.1]hept-2-ene
2-Pinene, (1S,5S)-(-)-
2,6,6-Trimethyl bicyclo-(3,1,1)-2 heptene
Bicyclo(3.1.1)hept-2-ene, 2,6,6-trimethyl
Bicyclo[3.1.1]hept-2-ene,2,6,6-trimethyl-
2,6,6-Trimethylbicyclo(3.1.1)-2-hept-2-ene
4,6,6-Trimethylbicyklo(3,1,1)hept-3-en [Czech]
Bicyclo(3.1.1)hept-2-ene, 2,6,6-trimethyl-, phosphosulfurized
Bicyclo(3.1.1)hept-2-ene, 2,6,6-trimethyl-
Bicyclo[3.1.1]hept-2-ene, 2,6,6-trimethyl-
(1R)-2,6,6-Trimethylbicyclo[3.1.1]hept-2-ene
(1S)-2,6,6-Trimethylbicyclo[3.1.1]hept-2-ene
Bicyclo(3.1.1)hept-2-ene, 2,6,6-trimethyl-, homopolymer
Bicyclo[3.1.1]hept-2-ene, 2,6,6-trimethyl-, (1R)-
Bicyclo[3.1.1]hept-2-ene, 2,6,6-trimethyl-, (1S)-
Bicyclo[3.1.1]hept-2-ene, 2,6,6-trimethyl-, (.+/-.)-
IUPAC name4,6,6-trimethylbicyclo[3.1.1]hept-3-ene
SMILESCC1=CCC2CC1C2(C)C
InchiInChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h4,8-9H,5-6H2,1-3H3
FormulaC10H16
PubChem ID6654
Molweight136.238
LogP2.8
Atoms26
Bonds27
H-bond Acceptor0
H-bond Donor0
Chemical ClassificationTerpenes Alkenes Bicyclo

mVOC Specific Details

Volatilization
The Henry's Law constant for alpha-pinene is estimated as 0.29 atm-cu m/mole(SRC) derived from its vapor pressure, 4.75 mm Hg(1), and water solubility, 2.49 mg/L(2). This Henry's Law constant indicates that alpha-pinene is expected to volatilize rapidly from water surfaces(3). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec)(3) is estimated as 3 hours(SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(3) is estimated as 5 days(SRC). alpha-Pinene's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). The potential for volatilization of alpha-pinene from dry soil surfaces may exist based upon a vapor pressure of 4.75 mm Hg(1).
Literature: (1) Daubert TE, Danner RP; Physical and Thermodynamic Properties of Pure Chemicals: Data Compilation. Design Inst Phys Prop Data, Amer Inst Chem Eng NY, NY: Hemisphere Pub Corp (1989) (2) Li J, Perdue EM; Physicochemical properties of selected monoterpenes. Pre-print extended abstract, Presented before the Division of Environmental Chemistry, Amer. Chem. Soc., Anaheim, CA, April 2-7, 1995 (1995) (3) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990)
Solubility
ALMOST INSOLUBLE IN PROPYLENE GLYCOL & GLYCERINE
Literature: Fenaroli's Handbook of Flavor Ingredients. Volume 2. Edited, translated, and revised by T.E. Furia and N. Bellanca. 2nd ed. Cleveland: The Chemical Rubber Co., 1975., p. 486
Literature: #Sol in alcohol, chloroform, ether, glacial acetic acid, fixed oils
Literature: Lewis, R.J. Sax's Dangerous Properties of Industrial Materials. 10th ed. Volumes 1-3 New York, NY: John Wiley & Sons Inc., 1999., p. 2970
Literature: #In water, 2.49 mg/L at 25 deg C
Literature: Li J, Perdue EM; Physicochemical Properties of Selected Monoterpenes. Pre-print Extended Abstract, Presented Before The Division of Environmental Chemistry, Amer Chem Soc, Anaheim, Ca: April 2-7 (1995)
Soil Adsorption
The Koc of alpha-pinene is estimated as 2,600(SRC), using a water solubility of 2.49 mg/L(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that alpha-pinene is expected to have slight mobility in soil.
Literature: (1) Li J, Perdue EM; Physicochemical properties of selected monoterpenes. Pre-print extended abstract, Presented before the Division of Environmental Chemistry, Amer. Chem. Soc., Anaheim, CA, April 2-7, 1995 (1995) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 4-5 (1990) (3) Swann RL et al; Res Rev 85: 17-28 (1983)
Vapor Pressure
PressureReference
4.75 mm Hg at 25 deg CDaubert, T.E., R.P. Danner. Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, D.C.: Taylor and Francis, 1989.
MS-Links

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaBacillus Amyloliquefaciens FZB42Agriculture University of Nanjing, ChinaTahir et al. 2018
BacteriaBacillus Artrophaeus LSSC22Agriculture University of Nanjing, ChinaTahir et al. 2031
BacteriaBurkholderia Sp. AD24bacterial interationsrhizosphere and bulk soil of Carex arenariaTyc et al. 2017
BacteriaPaenibacillus Sp. AD87bacterial interationsrhizosphere and bulk soil of Carex arenariaTyc et al. 2017
BacteriaStreptomyces Griseus Subsp. Griseus DSM 40236nasoilWilkins, 1996
FungiAntrodia Cinnamomea ATCC 200183nanaLu et al., 2014
FungiAspergillus Fumigatuscompost Fischer et al. 2045
FungiCladosporium CladosporiodesHedlund et al 1995
FungiCladosporium HerbarumHedlund et al 1995
FungiFomitopsis PinicolanaGermanyRösecke et al., 2000
FungiGanoderma Lucidumnasaprophytic on deciduous treesZiegenbein et al., 2006
FungiMortierella Isabellinamor horizon of a spruce forest soil southeastern SwedenBengtsson et al 1991
FungiPenicillium Commune Pittnain dry-cured meat products, cheeseSunesson et al., 1995
FungiPenicillium SpinulosumHedlund et al 1995
FungiPiptoporus BetulinusnaSachsenwald near HamburgRösecke et al., 2000
FungiSpongiporus Leucomallellusnasaprophytic mostly on wet, old pinesZiegenbein et al., 2006
BacteriaCalothrix Parietina PCC 6303n/aHoeckelmann et al., 2004
BacteriaCarnobacterium Divergens 9Pn/aErcolini et al., 2009
BacteriaMix Of Bacteria(Serratia Proteamaculans 42Mn/aErcolini et al., 2009
BacteriaPhormidium Sp.n/aHoeckelmann et al., 2004
BacteriaPseudomonas Fragi 25Pn/aErcolini et al., 2009
BacteriaRivularia Sp.n/aHoeckelmann et al., 2004
BacteriaStreptomyces Griseusn/aSchulz and Dickschat, 2007
FungiAgrocybe AegeritaFranceBreheret et al. 1997
FungiAmanita OvoideaFranceBreheret et al. 1997
FungiAspergillus Fumigatus Strain FGSC A1163Heddergott et al. 2014
FungiBoletus AestivalisFranceBreheret et al. 1997
FungiCantharellus CibariusFranceBreheret et al. 1997
FungiCortinarius CinnamomeusFranceBreheret et al. 1997
FungiCystoderma AmianthinumFranceBreheret et al. 1997
FungiCystoderma CarchariasFranceBreheret et al. 1997
FungiFusarium Graminearum 15AcDONn/aBusko et al., 2014
FungiFusarium Graminearum 15AcDON 1001tan/aBusko et al., 2014
FungiFusarium Graminearum 15AcDON ZFR 29n/aBusko et al., 2014
FungiFusarium Graminearum 15AcDON_4n/aBusko et al., 2014
FungiFusarium Graminearum 15AcDON_5n/aBusko et al., 2014
FungiFusarium Graminearum 15AcDON_6n/aBusko et al., 2014
FungiFusarium Graminearum 15AcDON_7n/aBusko et al., 2014
FungiFusarium Graminearum 15AcDON_8n/aBusko et al., 2014
FungiFusarium Graminearum 15AcDON_9n/aBusko et al., 2014
FungiFusarium Graminearum 3AcDON 1002tn/aBusko et al., 2014
FungiFusarium Graminearum 3AcDON 11791n/aBusko et al., 2014
FungiFusarium Graminearum 3AcDON 1509n/aBusko et al., 2014
FungiFusarium Graminearum 3AcDON 8046n/aBusko et al., 2014
FungiFusarium Graminearum 3AcDON NRRL38369n/aBusko et al., 2014
FungiFusarium Graminearum 3AcDON NRRL6394n/aBusko et al., 2014
FungiFusarium Graminearum 3AcDON ZFR 15n/aBusko et al., 2014
FungiFusarium Graminearum 3AcDON ZFR 37n/aBusko et al., 2014
FungiFusarium Graminearum 3AcDON ZFR 51n/aBusko et al., 2014
FungiFusarium Graminearum NIVn/aBusko et al., 2014
FungiFusarium Graminearum NIV ZFR 119n/aBusko et al., 2014
FungiFusarium Graminearum NIV ZFR 23n/aBusko et al., 2014
FungiFusarium Graminearum NIV ZFR 48n/aBusko et al., 2014
FungiFusarium Graminearum NIV_5n/aBusko et al., 2014
FungiFusarium Graminearum NIV_6n/aBusko et al., 2014
FungiFusarium Graminearum NIV_7n/aBusko et al., 2014
FungiFusarium Graminearum NIV_8n/aBusko et al., 2014
FungiFusarium Graminearum NIV_9n/aBusko et al., 2014
FungiGomphidius GlutinosusFranceBreheret et al. 1997
FungiHydnum RepandumFranceBreheret et al. 1997
FungiHygrophorus AgathosmusFranceBreheret et al. 1997
FungiMycena PuraFranceBreheret et al. 1997
FungiMycena RoseaFranceBreheret et al. 1997
FungiSuillus LuteusFranceBreheret et al. 1997
FungiTricholoma CaligatumFranceBreheret et al. 1997
FungiTricholoma PortentosumFranceBreheret et al. 1997
FungiTricholoma SulfureumFranceBreheret et al. 1997
BacteriaBurkholderia Tropica MTo431n/aTenorio-Salgado et al., 2013
BacteriaEscherichia Coli MG1655Bokinsky et al., 2011
FungiTuber Magnatumn/aItalian geographical areas ( Marche, Border region area between Emilia Romagna and Marche)Gioacchini et al., 2008
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaBacillus Amyloliquefaciens FZB42LBSPME-GC-MSno
BacteriaBacillus Artrophaeus LSSC22LBSPME-GC-MSno
BacteriaBurkholderia Sp. AD24TSBAGC-Q-TOFno
BacteriaPaenibacillus Sp. AD87TSBAGC-Q-TOFno
BacteriaStreptomyces Griseus Subsp. Griseus DSM 40236Nutrient agar CM3GC/MS
FungiAntrodia Cinnamomea ATCC 200183PDAGC/MSYes
FungiAspergillus Fumigatusyest extract sucroseTenax/GC-MSno
FungiCladosporium CladosporiodesGC-MSno
FungiCladosporium HerbarumGC-MSno
FungiFomitopsis PinicolanaGC/MSNo
FungiGanoderma LucidumnaGC/MSNo
FungiMortierella Isabellinadiethyl extraction, GC-MSno
FungiPenicillium Commune PittDG18GC/MS
FungiPenicillium SpinulosumGC-MSno
FungiPiptoporus BetulinusnaGC/MSNo
FungiSpongiporus LeucomallellusnaGC/MSNo
BacteriaCalothrix Parietina PCC 6303n/an/a
BacteriaCarnobacterium Divergens 9Pn/an/a
BacteriaMix Of Bacteria(Serratia Proteamaculans 42Mn/an/a
BacteriaPhormidium Sp.n/an/a
BacteriaPseudomonas Fragi 25Pn/an/a
BacteriaRivularia Sp.n/an/a
BacteriaStreptomyces Griseusn/an/a
FungiAgrocybe Aegeritaforest soilsolvent extraction, headspace, GCMSno
FungiAmanita Ovoideaforest soilsolvent extraction, headspace, GCMSno
FungiAspergillus Fumigatus Strain FGSC A1163Brian`s broth, AMM, RPMI 1642SPME / GC-MS
FungiBoletus Aestivalisforest soilsolvent extraction, headspace, GCMSno
FungiCantharellus Cibariusforest soilsolvent extraction, headspace, GCMSno
FungiCortinarius Cinnamomeusforest soilsolvent extraction, headspace, GCMSno
FungiCystoderma Amianthinumforest soilsolvent extraction, headspace, GCMSno
FungiCystoderma Carchariasforest soilsolvent extraction, headspace, GCMSno
FungiFusarium Graminearum 15AcDONyeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 15AcDON 1001tayeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 15AcDON ZFR 29yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 15AcDON_4yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 15AcDON_5yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 15AcDON_6yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 15AcDON_7yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 15AcDON_8yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 15AcDON_9yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 3AcDON 1002tyeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 3AcDON 11791yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 3AcDON 1509yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 3AcDON 8046yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 3AcDON NRRL38369yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 3AcDON NRRL6394yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 3AcDON ZFR 15yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 3AcDON ZFR 37yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 3AcDON ZFR 51yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum NIVyeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum NIV ZFR 119yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum NIV ZFR 23yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum NIV ZFR 48yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum NIV_5yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum NIV_6yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum NIV_7yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum NIV_8yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum NIV_9yeast extract sucrose agarSPME/GC-MS
FungiGomphidius Glutinosusforest soilsolvent extraction, headspace, GCMSno
FungiHydnum Repandumforest soilsolvent extraction, headspace, GCMSno
FungiHygrophorus Agathosmusforest soilsolvent extraction, headspace, GCMSno
FungiMycena Puraforest soilsolvent extraction, headspace, GCMSno
FungiMycena Roseaforest soilsolvent extraction, headspace, GCMSno
FungiSuillus Luteusforest soilsolvent extraction, headspace, GCMSno
FungiTricholoma Caligatumforest soilsolvent extraction, headspace, GCMSno
FungiTricholoma Portentosumforest soilsolvent extraction, headspace, GCMSno
FungiTricholoma Sulfureumforest soilsolvent extraction, headspace, GCMSno
BacteriaBurkholderia Tropica MTo431Potato dextrose agarHeadspace trapping/ GC-MS
BacteriaEscherichia Coli MG1655Luria-Bertani (LB)
FungiTuber Magnatumn/amicroextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)


2-ethylphenol

Mass-Spectra

Compound Details

Synonymous names
o-Hydroxyethylbenzene
ETHYLPHENOL
ortho-ethylphenol
IXQGCWUGDFDQMF-UHFFFAOYSA-N
Phlorol
Florol
o-Ethylphenol
2-phenethylalcohol
AC1Q2UBR
AC1L1NRS
JZ1
2-ETHYLPHENOL
1-ethylphenol
o-Ethyl phenol
PHENOL,ETHYL-
AC1Q2T5V
PubChem3871
2-Ethyl-phenol
2-ethyl phenol
ACMC-1CHE2
U021
KSC205O9N
Phenol, ethyl-
1-Ethyl-2-hydroxybenzene
Florol [Czech]
1-Hydroxy-2-ethylbenzene
SCHEMBL51108
E0160
CTK1A5796
SGCUT00114
UNII-C27Y543KVA component IXQGCWUGDFDQMF-UHFFFAOYSA-N
RP19476
BIDD:ER0661
NSC10112
CHEMBL321029
STR06133
HSDB 5267
355O0P4JU7
CCRIS 6038
C14385
A15993
Phenol, o-ethyl-
OR010954
LS-1904
DTXSID1022479
OR248714
1-ethyl-2-hydroxy-benzen
AK114273
UNII-355O0P4JU7
ZINC1706027
2-Ethylphenol, 99%
DSSTox_CID_2479
CHEBI:34275
Phenol, 2-ethyl-
SC-46756
AJ-30612
AN-17756
AN-24182
ANW-39417
CJ-06729
CJ-28837
NSC-10112
NSC 10112
KB-23780
DSSTox_GSID_22479
ZINC01706027
DSSTox_RID_76599
MFCD00002249
DB-021047
ST51054295
ST24040555
to_000008
RTR-033038
2-Ethylphenol, PESTANAL(R), analytical standard
TR-033038
AKOS000119353
J-509333
FT-0612290
BRN 1099397
4CH-024566
90-00-6
Benzene, 1-ethyl-2-hydroxy-
Tox21_202327
Tox21_302885
Z1262253000
CAS-90-00-6
NCGC00259876-01
MCULE-1491819809
NCGC00091780-01
NCGC00091780-02
NCGC00256439-01
EINECS 201-958-4
25429-37-2
MolPort-001-791-601
47721-EP2305625A1
47721-EP2311811A1
4-06-00-03011 (Beilstein Handbook Reference)
InChI=1/C8H10O/c1-2-7-5-3-4-6-8(7)9/h3-6,9H,2H2,1H
IUPAC name2-ethylphenol
SMILESCCC1=CC=CC=C1O
InchiInChI=1S/C8H10O/c1-2-7-5-3-4-6-8(7)9/h3-6,9H,2H2,1H3
FormulaC8H10O
PubChem ID6997
Molweight122.167
LogP2.63
Atoms19
Bonds19
H-bond Acceptor1
H-bond Donor1
Chemical ClassificationBenzenoids Alcohols

mVOC Specific Details

Volatilization
The Henry's Law constant for 2-ethylphenol is estimated as 4.6X10-6 atm-cu m/mole(SRC) from its experimental values for vapor pressure, 0.153 mm Hg at 25 deg C(1), and water solubility, 5340 mg/L at 25 deg C(2). This value indicates that 2-ethylphenol will volatilize from water surfaces(3,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 9 days(3,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 68 days(3,SRC). 2-Ethylphenol's values for vapor pressure(1) and estimated Henry's Law constant(1,2,SRC) indicate that volatilization from dry and moist soil surfaces is possible, but is not likely to be a major fate process for this compound(SRC).
Literature: (1) Biddiscombe DP et al; J Chem Soc. pp. 5764-8 (1963) (2) Mueller M, Klein W; Chemosphere 25: 769-82 (1992) (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 2-ethylphenol is estimated as approximately 530(SRC), using a measured log Kow of 2.47(1) and a regression-derived equation(2,SRC). According to a recommended classification scheme(3), this estimated Koc value suggests that 2-ethylphenol has moderate to low mobility in soil(SRC).
Literature: (1) Hansch C, Leo AJ; Pomona College Medicinal Chemistry Project. Claremont, CA. Log P Database (1987) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington DC: Amer Chem Soc pp. 4-9 (1990) (3) Swann RL et al; Res Rev 85: 23 (1983)
Vapor Pressure
PressureReference
0.153 mm Hg at 25 deg C.Biddiscombe DP et al; J Chem Soc pp. 5764-8 (1963)

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaCarnobacterium Divergens 9Pn/aErcolini et al., 2009
BacteriaMix Of Bacteria(Serratia Proteamaculans 42Mn/aErcolini et al., 2009
BacteriaPseudomonas Fragi 25Pn/aErcolini et al., 2009
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaCarnobacterium Divergens 9Pn/an/a
BacteriaMix Of Bacteria(Serratia Proteamaculans 42Mn/an/a
BacteriaPseudomonas Fragi 25Pn/an/a


Hexadec-1-ene

Mass-Spectra

Compound Details

Synonymous names
Hexadecene
GQEZCXVZFLOKMC-UHFFFAOYSA-N
Cetylene
alpha-Hexadecylene
Cetene
alpha-Hexadecene
Hexadecylene-1
Hexadecene-1
1-Hexadecene
Pentadecane, methylene-
1-Cetene
Gulftene 16
AC1L1ZI6
AC1Q2W1Q
1-Hexadecene, analytical standard
1-n-Hexadecene
Hexadec-1-ene
Dialene 16
.alpha.-Hexadecene
Neodene 16
ACMC-1CH85
6367AF
S0346
CTK0D0541
NSC60602
N-HEXADEC-1-ENE
HSDB 5730
97T015M2UX
LP068279
DTXSID1027269
CHEMBL3182381
SBB008801
1-Hexadecene, >=99%
CHEBI:77507
UNII-97T015M2UX
DSSTox_CID_7269
NSC 60602
SC-52954
LS-74871
DSSTox_GSID_27269
CC-04595
ANW-34483
AN-22066
TL8004339
NSC-60602
ZINC59511024
MFCD00008991
UNII-38H8547VP0 component GQEZCXVZFLOKMC-UHFFFAOYSA-N
DSSTox_RID_78380
C-28199
ST51046154
RTR-021676
ACM26952147
AI3-06556
TR-021676
AKOS015902424
TRA-0178189
FT-0607883
1-Hexadecene, technical grade, 92%
I14-19382
Tox21_202748
629-73-2
MCULE-4969847612
NCGC00260296-01
EINECS 248-131-4
CAS-629-73-2
EINECS 211-105-8
26952-14-7
113032-42-1
501012-99-3
1-Hexadecene, 94% 250ml
MolPort-001-787-067
Alkenes, C14-18 .alpha.-
(3/4) A degrees I(c)
1-Hexadecene, puriss., >=99.0% (GC)
IUPAC namehexadec-1-ene
SMILESCCCCCCCCCCCCCCC=C
InchiInChI=1S/C16H32/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3H,1,4-16H2,2H3
FormulaC16H32
PubChem ID12395
Molweight224.432
LogP7.27
Atoms48
Bonds47
H-bond Acceptor0
H-bond Donor0
Chemical ClassificationAlkenes

mVOC Specific Details

Boiling Point
DegreeReference
284.4 DEG C @ 760 MM HGWeast, R.C. (ed.). Handbook of Chemistry and Physics. 60th ed. Boca Raton, Florida: CRC Press Inc., 1979., p. C-332
Solubility
INSOLUBLE IN WATER; SOLUBLE IN ALCOHOL, ETHER, PETROLEUM ETHER
Literature: Weast, R.C. (ed.). Handbook of Chemistry and Physics. 60th ed. Boca Raton, Florida: CRC Press Inc., 1979., p. C-332
Literature: #SOLUBLE IN PETROLEUM AND COAL-TAR SOLVENTS
Literature: Hawley, G.G. The Condensed Chemical Dictionary. 9th ed. New York: Van Nostrand Reinhold Co., 1977., p. 437

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaCarnobacterium Divergens 9Pn/aErcolini et al., 2009
BacteriaMix Of Bacteria(Serratia Proteamaculans 42Mn/aErcolini et al., 2009
BacteriaPseudomonas Fragi 25Pn/aErcolini et al., 2009
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaCarnobacterium Divergens 9Pn/an/a
BacteriaMix Of Bacteria(Serratia Proteamaculans 42Mn/an/a
BacteriaPseudomonas Fragi 25Pn/an/a


Dodecan-2-ol

Mass-Spectra

Compound Details

Synonymous names
XSWSEQPWKOWORN-UHFFFAOYSA-N
2-DODECANOL
Dodecanol-2
ACMC-1BXBJ
AC1L18BX
ACMC-20luta
Dodecan-2-ol
D2960
CTK0I1301
CHEMBL446067
ACMC-20m2p3
NSC86142
SCHEMBL120359
SBB060451
LP002581
ANW-14634
CC-10435
CCG-40548
NSC-86142
2-Dodecanol, 99%
KB-23604
C-33894
MFCD00004551
ST51046629
AI3-35259
TC-103379
J-000549
AKOS009156867
FT-0612189
I14-54017
2-Dodecanol, (R)-
2-Dodecanol, (S)-
MCULE-9407036721
EINECS 233-500-4
10203-28-8
IUPAC namedodecan-2-ol
SMILESCCCCCCCCCCC(C)O
InchiInChI=1S/C12H26O/c1-3-4-5-6-7-8-9-10-11-12(2)13/h12-13H,3-11H2,1-2H3
FormulaC12H26O
PubChem ID25045
Molweight186.339
LogP4.33
Atoms39
Bonds38
H-bond Acceptor1
H-bond Donor1
Chemical ClassificationAlcohols

mVOC Specific Details


Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaCarnobacterium Divergens 9Pn/aErcolini et al., 2009
BacteriaMix Of Bacteria(Serratia Proteamaculans 42Mn/aErcolini et al., 2009
BacteriaPseudomonas Fragi 25Pn/aErcolini et al., 2009
BacteriaShewanella Algae YM15inhibits mycelial growth of Aspergillus flavus and germination of Aspergillus flavus' conidiasea sediment in east China coastGong et al., 2015
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaCarnobacterium Divergens 9Pn/an/a
BacteriaMix Of Bacteria(Serratia Proteamaculans 42Mn/an/a
BacteriaPseudomonas Fragi 25Pn/an/a
BacteriaShewanella Algae YM15NA mediumSPME-GC/MSYes


Dec-9-enyl Acetate

Mass-Spectra

Compound Details

Synonymous names
PIQXMYAEJSMANF-UHFFFAOYSA-N
Decenyl acetate
9-DECENYLACETATE
9-Decenyl acetate
AC1L22HF
ACETICACID9-DECEN-1-YLESTER
Acetic acid 9-decenyl
Acetic acid 9-decenyl ester
dec-9-enyl acetate
CTK4J3195
SCHEMBL585734
ACMC-209kq6
DTXSID4047125
ACETIC ACID, 9-DECENYL ESTER
LP001930
CHEMBL3185404
ZINC2005649
10-Acetoxy-1-decene
ANW-31132
LS-11554
9-DECEN-1-OL ACETATE
I999R8F793
CJ-31007
9-Decen-1-yl acetate
DSSTox_GSID_47125
ZINC02005649
MFCD00036512
DSSTox_RID_82132
DSSTox_CID_27125
C-52055
ACM50816187
AI3-34397
TC-119877
UNII-I999R8F793
AKOS024264142
9-Decen-1-ol, acetate
Acetic acid 9-decen-1-yl ester
BRN 1765355
Tox21_302671
NCGC00256826-01
9-Decen-1-ol, 1-acetate
EINECS 256-784-1
50816-18-7
CAS-50816-18-7
4-02-00-00195 (Beilstein Handbook Reference)
IUPAC namedec-9-enyl acetate
SMILESCC(=O)OCCCCCCCCC=C
InchiInChI=1S/C12H22O2/c1-3-4-5-6-7-8-9-10-11-14-12(2)13/h3H,1,4-11H2,2H3
FormulaC12H22O2
PubChem ID39801
Molweight198.306
LogP3.61
Atoms36
Bonds35
H-bond Acceptor1
H-bond Donor0
Chemical ClassificationEsters Alkenes

mVOC Specific Details


Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaCarnobacterium Divergens 9Pn/aErcolini et al., 2009
BacteriaMix Of Bacteria(Serratia Proteamaculans 42Mn/aErcolini et al., 2009
BacteriaPseudomonas Fragi 25Pn/aErcolini et al., 2009
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaCarnobacterium Divergens 9Pn/an/a
BacteriaMix Of Bacteria(Serratia Proteamaculans 42Mn/an/a
BacteriaPseudomonas Fragi 25Pn/an/a


Non-1-en-3-ol

Mass-Spectra

Compound Details

Synonymous names
Hexylvinylcarbinol
DWUPJMHAPOQKGJ-UHFFFAOYSA-N
DWUPJMHAPOQKGJ-UHFFFAOYSA-
Hexyl vinyl carbinol
1-Vinylheptanol
AC1Q2VTP
ACMC-1BHJE
AC1L3I4L
N0451
CTK1A5603
SCHEMBL148996
AC1Q7186
3-Hydroxy-1-nonene
delta1-nonen-3-ol
LP001614
NSC102782
1-Nonene-3-ol
nonene-1-ol-3
ANW-24644
AN-17896
1-Nonen-3 ol
1-Nonen-3-ol
KB-13032
MFCD00021953
LMFA05000504
NSC-102782
NSC 102782
TC-113389
J-014376
AKOS009156593
Non-1-en-3-ol
FT-0608165
I14-63431
EINECS 244-686-1
79605-61-1
21964-44-3
InChI=1/C9H18O/c1-3-5-6-7-8-9(10)4-2/h4,9-10H,2-3,5-8H2,1H3
IUPAC namenon-1-en-3-ol
SMILESCCCCCCC(C=C)O
InchiInChI=1S/C9H18O/c1-3-5-6-7-8-9(10)4-2/h4,9-10H,2-3,5-8H2,1H3
FormulaC9H18O
PubChem ID89560
Molweight142.242
LogP2.93
Atoms28
Bonds27
H-bond Acceptor1
H-bond Donor1
Chemical ClassificationAlkenes Alcohols

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaCarnobacterium Divergens 9Pn/aErcolini et al., 2009
BacteriaMix Of Bacteria(Serratia Proteamaculans 42Mn/aErcolini et al., 2009
BacteriaPseudomonas Fragi 25Pn/aErcolini et al., 2009
FungiSpongiporus Leucomallellusnasaprophytic mostly on wet, old pinesZiegenbein et al., 2006
Fungi Bjerkandera AdustaThakeow et al. 2008
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaCarnobacterium Divergens 9Pn/an/a
BacteriaMix Of Bacteria(Serratia Proteamaculans 42Mn/an/a
BacteriaPseudomonas Fragi 25Pn/an/a
FungiSpongiporus LeucomallellusnaGC/MSNo
Fungi Bjerkandera Adustano


3-hydroxydodecanoic Acid

Compound Details

Synonymous names
beta-hydroxydodecanoate
beta-hydroxylaurate
b-Hydroxydodecanoate
beta-hydroxyldodecanoic acid
MUCMKTPAZLSKTL-UHFFFAOYSA-N
beta-Hydroxydodecanoic acid
3-HYDROXYDODECANOICACID
DL-beta-Hydroxydodecanoate
b-Hydroxylaurate
b-Hydroxydodecanoic acid
3-Hydroxydodecanoate
DL-b-Hydroxydodecanoate
beta-Hydroxylauric acid
b-hydroxylauric acid
DL-beta-Hydroxydodecanoic acid
3-Hydroxylaurate
DL-b-Hydroxydodecanoic acid
3-Hydroxydodecanoic acid
AC1Q5VDT
3-hydroxy-dodecanoate
DL-beta-Hydroxylauric acid
beta-OH dodecanoic acid
DL-|A-Hydroxylauric acid
3-Hydroxylauric acid
AC1L3RR8
beta-OH lauric acid
3-hydroxy-dodecanoic acid
.beta.-Hydroxydodecanoic acid
.beta.-Hydroxylauric acid
GTPL5850
3-hydroxy lauric acid
3-OH dodecanoic acid
HMDB00387
CTK4J9025
Dodecanoic acid,3-hydroxy-
3-OH lauric acid
SCHEMBL154695
(RS)-3-Hydroxylaurate
AK392260
LP001203
Dodecanoic acid, 3-hydroxy-
CHEBI:36206
(RS)-3-Hydroxylauric acid
ACM1883132
LMFA01050037
MFCD00133279
DB-006465
AKOS017343263
FT-0600275
1883-13-2
DL-beta-Hydroxylauric acid, >=99% (GC)
8355-89-3
53941-38-1
MolPort-003-941-643
69C8C72D-C02B-412C-A98C-3B1E0632C948
IUPAC name3-hydroxydodecanoic acid
SMILESCCCCCCCCCC(CC(=O)O)O
InchiInChI=1S/C12H24O3/c1-2-3-4-5-6-7-8-9-11(13)10-12(14)15/h11,13H,2-10H2,1H3,(H,14,15)
FormulaC12H24O3
PubChem ID94216
Molweight216.321
LogP3.25
Atoms39
Bonds38
H-bond Acceptor3
H-bond Donor2
Chemical ClassificationAcids Alcohols carboxylic acids

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaCarnobacterium Divergens 9Pn/aErcolini et al., 2009
BacteriaMix Of Bacteria(Serratia Proteamaculans 42Mn/aErcolini et al., 2009
BacteriaPseudomonas Fragi 25Pn/aErcolini et al., 2009
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaCarnobacterium Divergens 9Pn/an/a
BacteriaMix Of Bacteria(Serratia Proteamaculans 42Mn/an/a
BacteriaPseudomonas Fragi 25Pn/an/a


Tetradec-13-en-1-ol

Compound Details

Synonymous names
Tetradecenol
GXBLITCOLKGJDG-UHFFFAOYSA-N
13-tetradecenol
AC1L3Q3Z
Tetradecen-1-ol
CTK1H7939
SCHEMBL129678
LP006095
13-Tetradecen-1-ol
tetradec-13-en-1-ol
28982-37-8
67400-04-8
IUPAC nametetradec-13-en-1-ol
SMILESC=CCCCCCCCCCCCCO
InchiInChI=1S/C14H28O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h2,15H,1,3-14H2
FormulaC14H28O
PubChem ID120110
Molweight212.377
LogP4.95
Atoms43
Bonds42
H-bond Acceptor1
H-bond Donor1
Chemical ClassificationAlkenes Alcohols

mVOC Specific Details


Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaCarnobacterium Divergens 9Pn/aErcolini et al., 2009
BacteriaMix Of Bacteria(Serratia Proteamaculans 42Mn/aErcolini et al., 2009
BacteriaPseudomonas Fragi 25Pn/aErcolini et al., 2009
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaCarnobacterium Divergens 9Pn/an/a
BacteriaMix Of Bacteria(Serratia Proteamaculans 42Mn/an/a
BacteriaPseudomonas Fragi 25Pn/an/a


Dodecyl Hexanoate

Compound Details

Synonymous names
Dodecyl hexanoate
NZKTXIRCNHDQKO-UHFFFAOYSA-N
Dodecyl hexanoate #
AC1L6CDW
AC1Q67CG
Hexanoic acid, dodecyl ester
CTK5C9633
NSC53984
LP106458
SCHEMBL4112836
DTXSID80288066
NSC-53984
LMFA07010441
ZINC100311170
6938-60-9
WE(12:0/6:0)
IUPAC namedodecyl hexanoate
SMILESCCCCCCCCCCCCOC(=O)CCCCC
InchiInChI=1S/C18H36O2/c1-3-5-7-8-9-10-11-12-13-15-17-20-18(19)16-14-6-4-2/h3-17H2,1-2H3
FormulaC18H36O2
PubChem ID243807
Molweight284.484
LogP6.84
Atoms56
Bonds55
H-bond Acceptor1
H-bond Donor0
Chemical ClassificationEsters

mVOC Specific Details


Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaCarnobacterium Divergens 9Pn/aErcolini et al., 2009
BacteriaMix Of Bacteria(Serratia Proteamaculans 42Mn/aErcolini et al., 2009
BacteriaPseudomonas Fragi 25Pn/aErcolini et al., 2009
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaCarnobacterium Divergens 9Pn/an/a
BacteriaMix Of Bacteria(Serratia Proteamaculans 42Mn/an/a
BacteriaPseudomonas Fragi 25Pn/an/a


6-methyloctan-1-ol

Compound Details

Synonymous names
WWRGKAMABZHMCN-UHFFFAOYSA-N
AC1LAUUY
6-methyloctanol
SCHEMBL50953
4988AB
CTK4I0101
ACMC-20m1p2
6-Methyl-1-octanol
6-Methyloctan-1-ol
OR031349
FCH831747
AK-82137
AX8236838
ANW-67808
ACMC-209965
KB-124232
TC-156553
AKOS006230286
1-Octanol, 6-methyl-
EINECS 253-977-2
97730-24-0
38514-05-5
1-Octanol, 6-methyl-, (6R)-
IUPAC name6-methyloctan-1-ol
SMILESCCC(C)CCCCCO
InchiInChI=1S/C9H20O/c1-3-9(2)7-5-4-6-8-10/h9-10H,3-8H2,1-2H3
FormulaC9H20O
PubChem ID520908
Molweight144.258
LogP2.87
Atoms30
Bonds29
H-bond Acceptor1
H-bond Donor1
Chemical ClassificationAlcohols

mVOC Specific Details


Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaCarnobacterium Divergens 9Pn/aErcolini et al., 2009
BacteriaMix Of Bacteria(Serratia Proteamaculans 42Mn/aErcolini et al., 2009
BacteriaPseudomonas Fragi 25Pn/aErcolini et al., 2009
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaCarnobacterium Divergens 9Pn/an/a
BacteriaMix Of Bacteria(Serratia Proteamaculans 42Mn/an/a
BacteriaPseudomonas Fragi 25Pn/an/a


Tetradec-13-enyl Acetate

Compound Details

Synonymous names
DZXBZPMJYIXTTI-UHFFFAOYSA-N
AC1LAVYS
13-Tetradecenyl acetate
13-Tetradecenyl acetate #
tetradec-13-enyl acetate
LP024719
SCHEMBL8463541
13-Tetradecen-1-ol acetate
13-Tetradecen-1-yl acetate
DTXSID10873080
Acetic acid (13-tetradecenyl) ester
TETRADEC-13-EN-1-YL ACETATE
IUPAC nametetradec-13-enyl acetate
SMILESCC(=O)OCCCCCCCCCCCCC=C
InchiInChI=1S/C16H30O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-16(2)17/h3H,1,4-15H2,2H3
FormulaC16H30O2
PubChem ID521718
Molweight254.414
LogP5.39
Atoms48
Bonds47
H-bond Acceptor1
H-bond Donor0
Chemical ClassificationEsters Alkenes

mVOC Specific Details


Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaCarnobacterium Divergens 9Pn/aErcolini et al., 2009
BacteriaMix Of Bacteria(Serratia Proteamaculans 42Mn/aErcolini et al., 2009
BacteriaPseudomonas Fragi 25Pn/aErcolini et al., 2009
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaCarnobacterium Divergens 9Pn/an/a
BacteriaMix Of Bacteria(Serratia Proteamaculans 42Mn/an/a
BacteriaPseudomonas Fragi 25Pn/an/a


4-methylundec-1-ene

Compound Details

Synonymous names
XOPDEIDKEIFVSU-UHFFFAOYSA-N
AC1LAX2I
4-methyl undecene
4-Methyl-1-undecene
4-methylundec-1-ene
4-Methyl-1-undecene #
AKOS006325836
1-Undecene, 4-methyl-
74630-39-0
IUPAC name4-methylundec-1-ene
SMILESCCCCCCCC(C)CC=C
InchiInChI=1S/C12H24/c1-4-6-7-8-9-11-12(3)10-5-2/h5,12H,2,4,6-11H2,1,3H3
FormulaC12H24
PubChem ID522551
Molweight168.324
LogP5.34
Atoms36
Bonds35
H-bond Acceptor0
H-bond Donor0
Chemical ClassificationAlkenes

mVOC Specific Details


Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaCarnobacterium Divergens 9Pn/aErcolini et al., 2009
BacteriaMix Of Bacteria(Serratia Proteamaculans 42Mn/aErcolini et al., 2009
BacteriaPseudomonas Fragi 25Pn/aErcolini et al., 2009
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaCarnobacterium Divergens 9Pn/an/a
BacteriaMix Of Bacteria(Serratia Proteamaculans 42Mn/an/a
BacteriaPseudomonas Fragi 25Pn/an/a


[3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]methyl Acetate

Mass-Spectra

Compound Details

Synonymous names
HUUKHKAFVDAFIX-UHFFFAOYSA-N
AC1LBIOA
2,3-Epoxygeranyl acetate
CTK6A2650
HE346591
AKOS015906008
I14-22976
Geranyl acetate, 2,3-epoxy-
50727-95-2
[3-Methyl-3-(4-methyl-3-pentenyl)-2-oxiranyl]methyl acetate
[3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]methyl acetate
[3-Methyl-3-(4-methyl-3-pentenyl)-2-oxiranyl]methyl acetate #
IUPAC name[3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]methyl acetate
SMILESCC(=CCCC1(C(O1)COC(=O)C)C)C
InchiInChI=1S/C12H20O3/c1-9(2)6-5-7-12(4)11(15-12)8-14-10(3)13/h6,11H,5,7-8H2,1-4H3
FormulaC12H20O3
PubChem ID536453
Molweight212.289
LogP2.2
Atoms35
Bonds35
H-bond Acceptor2
H-bond Donor0
Chemical ClassificationTerpenes Esters Alkenes Epoxide ethers

mVOC Specific Details


Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaCarnobacterium Divergens 9Pn/aErcolini et al., 2009
BacteriaMix Of Bacteria(Serratia Proteamaculans 42Mn/aErcolini et al., 2009
BacteriaPseudomonas Fragi 25Pn/aErcolini et al., 2009
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaCarnobacterium Divergens 9Pn/an/a
BacteriaMix Of Bacteria(Serratia Proteamaculans 42Mn/an/a
BacteriaPseudomonas Fragi 25Pn/an/a


(E)-dodec-2-enal

Mass-Spectra

Compound Details

Synonymous names
eryngial
SSNZFFBDIMUILS-ZHACJKMWSA-N
beta-Octyl acrolein
3-Nonylacrolein
2-DODECENAL
trans-2-Dodecenal
AC1NR241
SCHEMBL29549
trans-Dodec-2-enal
D2068
2(E)-Dodecenal
(2e)-dodecenal
1D55O81P4E
2-Dodecenal (natural)
LP001923
Jsp004171
DTXSID2051847
CHEMBL2228452
ZINC1589935
UNII-1D55O81P4E
2-Dodecen-1-al
ACM4826624
AN-18526
AN-19076
(E)-2-dodecenal
trans-2-Dodecen-1-al
NSC 22287
LS-63548
CHEBI:133741
MFCD00014674
LMFA06000072
AI3-36266
(2E)-2-Dodecenal
RT-001234
ACM20407845
AKOS015902263
W-107623
Dodec-2-en-1-al
FEMA No. 2402
(E)-dodec-2-enal
FT-0696517
I14-13655
(2E)-dodec-2-enal
2-Dodecenal, (E)-
4826-62-4
EINECS 225-402-5
EINECS 243-797-2
(E)-2-Dodecen-1-al
2-Dodecenal, (2E)-
20407-84-5
(E)-Dodec-2-en-1-al
trans-2-Dodecenal, >=95%, FCC, FG
DODECEN-(2)-OL-(1)
2-Dodecen-1-al (contains 2-Dodecen-1-al diethyl acetal)
IUPAC name(E)-dodec-2-enal
SMILESCCCCCCCCCC=CC=O
InchiInChI=1S/C12H22O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h10-12H,2-9H2,1H3/b11-10+
FormulaC12H22O
PubChem ID5283361
Molweight182.307
LogP4.32
Atoms35
Bonds34
H-bond Acceptor1
H-bond Donor0
Chemical ClassificationAlkenes Aldehydes

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaPaenibacillus Polymyxa Sb3-1collection TU GrazRybakova et al. 2017
BacteriaCarnobacterium Divergens 9Pn/aErcolini et al., 2009
BacteriaMix Of Bacteria(Serratia Proteamaculans 42Mn/aErcolini et al., 2009
BacteriaPseudomonas Fragi 25Pn/aErcolini et al., 2009
BacteriaBurkholderia Gladioli LMG 2216n/aBlom et al., 2011
BacteriaBurkholderia Lata LMG 22485n/aBlom et al., 2011
BacteriaBurkholderia Pyrrocinia LMG 21822n/aBlom et al., 2011
BacteriaCellulomonas Udan/aBlom et al., 2011
BacteriaEscherichia Coli OP50n/aBlom et al., 2011
BacteriaPseudomonas Chlororaphisn/aBlom et al., 2011
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaPaenibacillus Polymyxa Sb3-1GC-MS / SPMEno
BacteriaCarnobacterium Divergens 9Pn/an/a
BacteriaMix Of Bacteria(Serratia Proteamaculans 42Mn/an/a
BacteriaPseudomonas Fragi 25Pn/an/a
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 Lata LMG 22485AngleHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Pyrrocinia LMG 21822LB and MS Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaCellulomonas UdaMR-VP and MS Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaEscherichia Coli OP50LB and MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaPseudomonas ChlororaphisMS Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)


3-pentylthiophene

Compound Details

Synonymous names
3-Pentylthiophene
3-Amylthiophene
3-n-pentylthiophene
3-Pentylthiophene, AldrichCPR
615FDD13VG
Z5434
CTK0H2450
P1127
VT20249
SCHEMBL869295
CP-546
UNII-615FDD13VG
Thiophene, 3-pentyl-
LP001966
ZINC2512479
GEO-02096
FCH1116548
DTXSID80571783
CC-15797
ANW-14755
MFCD00143182
C-03369
ACMC-209839
TR-000675
I09-1961
AKOS015839661
W-200072
FT-0642509
102871-31-8
MolPort-019-910-360
IUPAC name3-pentylthiophene
SMILESCCCCCC1=CSC=C1
InchiInChI=1S/C9H14S/c1-2-3-4-5-9-6-7-10-8-9/h6-8H,2-5H2,1H3
FormulaC9H14S
PubChem ID15345429
Molweight154.27
LogP4.05
Atoms24
Bonds24
H-bond Acceptor0
H-bond Donor0
Chemical ClassificationAlkenes Thiofurans

mVOC Specific Details


Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaCarnobacterium Divergens 9Pn/aErcolini et al., 2009
BacteriaMix Of Bacteria(Serratia Proteamaculans 42Mn/aErcolini et al., 2009
BacteriaPseudomonas Fragi 25Pn/aErcolini et al., 2009
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaCarnobacterium Divergens 9Pn/an/a
BacteriaMix Of Bacteria(Serratia Proteamaculans 42Mn/an/a
BacteriaPseudomonas Fragi 25Pn/an/a


(Z)-dodec-5-enal

Compound Details

Synonymous names
MXYKXSMSECVABY-FPLPWBNLSA-N
5Z-Dodecenal
AC1NSG97
cis-Dodec-5-enal
5-dodecenal, Z
LP031062
(z)-5-dodecenal
LMFA06000161
(Z)-dodec-5-enal
(5Z)-DODEC-5-ENAL
IUPAC name(Z)-dodec-5-enal
SMILESCCCCCCC=CCCCC=O
InchiInChI=1S/C12H22O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h7-8,12H,2-6,9-11H2,1H3/b8-7-
FormulaC12H22O
PubChem ID5362687
Molweight182.307
LogP3.96
Atoms35
Bonds34
H-bond Acceptor1
H-bond Donor0
Chemical Classificationaldehydes

mVOC Specific Details


Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaCarnobacterium Divergens 9Pn/aErcolini et al., 2009
BacteriaMix Of Bacteria(Serratia Proteamaculans 42Mn/aErcolini et al., 2009
BacteriaPseudomonas Fragi 25Pn/aErcolini et al., 2009
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaCarnobacterium Divergens 9Pn/an/a
BacteriaMix Of Bacteria(Serratia Proteamaculans 42Mn/an/a
BacteriaPseudomonas Fragi 25Pn/an/a