Results for:
Species: Fistulina hepatica

Oct-1-en-3-ol

Mass-Spectra

Compound Details

Synonymous names
Pentylvinylcarbinol
Amylvinylcarbinol
Flowtron mosquito attractant
VSMOENVRRABVKN-UHFFFAOYSA-N
Matsutake alcohol
Morillol
Matsuica alcohol
Matsuika alcohol
Mushroom alcohol
Vinyl hexanol
Vinyl pentyl carbinol
Pentyl vinyl carbinol
Vinyl amyl carbinol
Amyl vinyl carbinol
1-Vinylhexanol
AC1L2CVX
ACMC-20apfw
Matsutake alcohol [Japanese]
ACMC-1CNY7
KSC223I9P
Octen-3-ol
SCHEMBL41968
CTK1C3497
O0159
ACT05316
NSC87563
3-Hydroxy-1-octene
C14272
CCRIS 8804
OR020369
DTXSID3035214
Jsp006175
LP030603
LS-3002
WLN: QY5&1U1
CHEMBL3183573
AK164470
1-Octene-3-ol
octene-1-ol-3
CHEBI:34118
AN-18986
1-Okten-3-ol
NSC-87563
NSC 87563
SC-18002
ANW-27735
TRA0097596
DSSTox_GSID_35214
1-OCTEN-3-OL
1 Octen 3 OL
DSSTox_CID_15214
LMFA05000090
DSSTox_RID_79250
MFCD00004589
RTC-020285
DB-003193
AI3-28627
TC-020285
I14-1194
Q-100412
1-Octen-3-ol, analytical standard
EPA Pesticide Chemical Code 069037
AKOS009157412
Oct-1-ene-3-ol
I14-1157
1 -Octen-3-ol
Oct-1-en-3-ol
FEMA No. 2805
FT-0608181
BRN 1744110
Nat. 1-Octen-3-ol
Tox21_302039
n-Oct-1-en-3-ol
1-Octen-3-ol (natural)
NCGC00255686-01
1-Okten-3-ol [Czech]
3191-86-4
3391-86-4
EINECS 222-226-0
1-Octen-3-ol, 98%
50999-79-6
CAS-3391-86-4
MolPort-001-782-881
1-Octen-3-ol, natural, >=95%, FG
1-Octen-3-ol, 98% 10g
1-Octen-3-ol, >=98%, FCC, FG
IUPAC nameoct-1-en-3-ol
SMILESCCCCCC(C=C)O
InchiInChI=1S/C8H16O/c1-3-5-6-7-8(9)4-2/h4,8-9H,2-3,5-7H2,1H3
FormulaC8H16O
PubChem ID18827
Molweight128.215
LogP2.49
Atoms25
Bonds24
H-bond Acceptor1
H-bond Donor1
Chemical ClassificationAlcohols alkenes

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaBiofilms A (Rivularia Sp./Calothrix Parietina Community)n/aHoeckelmann et al., 2004
BacteriaCarnobacterium Divergens 9Pn/aErcolini et al., 2009
BacteriaCyanobacterian/aHoeckelmann et al., 2004
BacteriaPseudomonas Fragi 25Pn/aErcolini et al., 2009
BacteriaSerratia Proteamaculans 42Mn/aErcolini et al., 2009
Fungin/aFortywoodland of the Basilicata regionMauriello et al., 2004
FungiNoneFortywoodland of the Basilicata regionMauriello et al., 2004
FungiAgaricus Bisporusn/aBerendsen et al., 2013
FungiAgaricus Bisporus A15Sylvan, UKCombet et al. 2009
FungiArmillaria Mellean/aMueller et al., 2013
FungiAscocoryne Sarcoides NRRL 50072n/aMallette et al. 2012
FungiAspergillus Candiduscompost Fischer et al. 2056
FungiAspergillus Flavusn/aStotzky and Schenk, 1976
FungiAspergillus Flavus NRRL 18543n/aBeck et al., 2012
FungiAspergillus Flavus NRRL 25347n/aBeck et al., 2012
FungiAspergillus Flavus NRRL 3357Japan Collection of Microorganisms at Riken Bioresource CenterMiyamoto et al. 2014
FungiAspergillus Nigern/aMeruva et al., 2004
FungiAspergillus Niger NRRL 326n/aBeck et al., 2012
FungiAspergillus Ornatusn/aMeruva et al., 2004
FungiAspergillus Parasiticus NRRL 5862n/aBeck et al., 2012
FungiAspergillus SydowiinanaSteiner et al., 2007
FungiAspergillus UstusPolizzi et al., 2012
FungiAspergillus VersicolornanaSteiner et al., 2007
FungiAspergillus Versicolor Tiraboschinadamp indoor environments, food productsSunesson et al., 1995
FungiAspergillus Vesicolorcompost Fischer et al. 2056
FungiBoletus EdulisZawirksa-Wojtasiak 2004
FungiCoriolus Versicolorcolonized beetleGuevara et al 2000
FungiEmericella Nidulanscompost Fischer et al. 2056
FungiFistulina HepaticaWu et al. 2005
FungiFomes FomentariusFäldt et al. 1999
FungiFomitopsis PinicolanaGermanyRösecke et al., 2000
FungiFusarium Spp.Savel’eva et al. 2014
FungiGanoderma Adspersumcolonized beetleGuevara et al 2000
FungiGleophyllum OdoratumnaSachsenwald near HamburgRösecke et al., 2000
FungiLaccaria Bicolorn/aMueller et al., 2013
FungiLentinus EdodesZawirksa-Wojtasiak 2004
FungiMortierella Isabellinamor horizon of a spruce forest soil southeastern SwedenBengtsson et al 1991
FungiNeurospora Sitophila ATCC 46892n/aPastore et al.,1994
FungiNeurospora Sp.n/aPastore et al., 1994
FungiPaxillus Involutus MAJn/aMueller et al., 2013
FungiPaxillus Involutus NAUn/aMueller et al., 2013
FungiPencillium ChrysogenumNoneNoneMeruva et al., 2004
FungiPenicillium Aurantiogriseumn/aBoerjesson et al., 1990
FungiPenicillium Brevicompactumcompost Fischer et al. 2056
FungiPenicillium Chrysogenumn/aMeruva et al., 2004
FungiPenicillium Glabrum NRRL 766n/aBeck et al., 2012
FungiPenicillium Paneum (Conidia)n/aChitarra et al., 2004
FungiPenicillium PolonicumPolizzi et al., 2012
FungiPenicillium SppKaminski et al. 1974
FungiPhialophora Fastigiata ConantnanaSunesson et al., 1995
FungiPholiota Squarrosan/aMueller et al., 2013
FungiPiptoporus BetulinusnaSachsenwald near HamburgRösecke et al., 2000
FungiPleurotus CystidiosusnanaUsami et al., 2014
FungiPleurotus Eryngii Var. TuoliensisnanaUsami et al., 2014
FungiPleurotus OstreatusBeltran-Garcia et al. 1997
FungiRhizoctonia Solani AG2-2 IIIBcollection of the Sugar Beet Research Institute, Bergen op Zoom, The NetherlandsCordovez et al. 2017
FungiRhizopus Stolonifern/aMeruva et al., 2004
FungiRhizopus Stolonifer NRRL 54667n/aBeck et al., 2012
FungiStropharia Rugosoannulatan/aMueller et al., 2013
FungiTrametes Suaveolensnanear Zachersmühle, Göppingen, southern GermanyRösecke et al., 2000
FungiTrichoderma Atroviriden/aCrutcher et al., 2013
FungiTrichoderma Atroviride ATCC 74058n/aStoppacher et al., 2010
FungiTrichoderma Reesein/aCrutcher et al., 2013
Fungi Trichoderma SppNemcovic et al. 2008
FungiTrichoderma Virensn/aCrutcher et al., 2013
FungiTrichoderma Viriden/aMueller et al., 2013
FungiTricholoma MatsutakeMurahashi S. 1938
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 BorchiiInhibit the development of Arabidopsis thaliana and modify its oxidative metabolismSplivallo et al., 2007
FungiTuber Brumalen/aFortywoodland of the Basilicata regionMauriello et al., 2004
FungiTuber Excavatumn/aFortywoodland of the Basilicata regionMauriello et al., 2004
FungiTuber Indicumn/aSplivallo et al., 2007
FungiTuber Indicum AM406672Piedmont northern Italy; Yunnan and Sichuan, ChinaSplivallo et al. 2007
FungiTuber Melanosporumn/aSplivallo et al., 2007
FungiTuber Uncinatumn/aFrance, Italy, Switzerland, the UK, Austria, Romania, and HungarySplivallo et al., 2012
FungiVerticillium Longisporumn/aMueller et al., 2013
Fungi Verticilliumspp.Bengtsson et al 1991
FungiAspergillus VersicolorSchleibinger et al.,2005
FungiChaetomium GlobosumSchleibinger et al.,2005
FungiEurotium AmstelodamiSchleibinger et al.,2005
FungiPenicillium BrevicompactumSchleibinger et al.,2005
FungiPenicillium Sp.n/aBjurman et al., 1997
FungiTuber BorchiiAroma active compound in Tuber melanosporum, Tuber aestivum syn Tuber uncinatum, Tuber himalayense, Tuber indicum and Tuber sinensenaSplivallo and Ebeler 2015
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
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaBiofilms A (Rivularia Sp./Calothrix Parietina Community)n/an/a
BacteriaCarnobacterium Divergens 9Pn/an/a
BacteriaCyanobacterian/an/a
BacteriaPseudomonas Fragi 25Pn/an/a
BacteriaSerratia Proteamaculans 42Mn/an/a
Fungin/amicroextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)
FungiNonemicroextraction–gas chromatography–mass spectrometry analysis (SPME–GC–MS)No
FungiAgaricus Bisporus
FungiAgaricus Bisporus A15comkposted wheat strawGC-MS / SPMEyes
FungiArmillaria MelleaMelin-Nor krans synthetic medium (modified)Headspace trapping ( using stir bar sorptive extraction )/ GC-MS
FungiAscocoryne Sarcoides NRRL 50072Minimal mediumPTR-MS and SPME GC-MS
FungiAspergillus Candidusyest extract sucroseTenax/GC-MSno
FungiAspergillus Flavusn/an/a
FungiAspergillus Flavus NRRL 18543potato dextrose agar and Polyunsaturated Fatty AcidsSPME/ GC-MS
FungiAspergillus Flavus NRRL 25347potato dextrose agar and Polyunsaturated Fatty AcidsSPME/ GC-MS
FungiAspergillus Flavus NRRL 3357glucose minimal mediumSPME; GC-MSno
FungiAspergillus NigerPotato dextrose agar and tobacco products.Closedloop stripping analysis and GC/TOF-MS.
FungiAspergillus Niger NRRL 326potato dextrose agar and Polyunsaturated Fatty AcidsSPME/ GC-MS
FungiAspergillus OrnatusPotato dextrose agar and tobacco products.Closedloop stripping analysis and GC/TOF-MS.
FungiAspergillus Parasiticus NRRL 5862potato dextrose agar and Polyunsaturated Fatty AcidsSPME/ GC-MS
FungiAspergillus SydowiinaGC/MSNo
FungiAspergillus Ustusmalt extract agar (MEA), wallpaper, plasterboardSPME/GC-MS
FungiAspergillus VersicolornaGC/MSNo
FungiAspergillus Versicolor TiraboschiDG18GC/MS
FungiAspergillus Vesicoloryest extract sucroseTenax/GC-MSno
FungiBoletus Edulisno
FungiCoriolus Versicolorsteam destillation, GC-MSno
FungiEmericella Nidulansyest extract sucroseTenax/GC-MSno
FungiFistulina HepaticaHRGC-MS,; DB5;ZB Waxno
FungiFomes Fomentariusno
FungiFomitopsis PinicolanaGC/MSNo
FungiFusarium Spp.no
FungiGanoderma Adspersumsteam destillation, GC-Mno
FungiGleophyllum OdoratumnaGC/MSNo
FungiLaccaria BicolorMelin-Nor krans synthetic medium (modified)Headspace trapping ( using stir bar sorptive extraction )/ GC-MS
FungiLentinus Edodesno
FungiMortierella Isabellinamalt extact agardiethyl extraction, GC-MSno
FungiNeurospora Sitophila ATCC 46892Malt extractHeadspace/gas chromatography
FungiNeurospora Sp.potato dextrose agardynamic headspace/gas chromatography
FungiPaxillus Involutus MAJMelin-Nor krans synthetic medium (modified)Headspace trapping ( using stir bar sorptive extraction )/ GC-MS
FungiPaxillus Involutus NAUMelin-Nor krans synthetic medium (modified)Headspace trapping ( using stir bar sorptive extraction )/ GC-MS
FungiPencillium ChrysogenumPotato dextrose agar and tobacco products.Closedloop stripping analysis and GC/TOF-MS.Yes
FungiPenicillium Aurantiogriseumn/an/a
FungiPenicillium Brevicompactumyest extract sucroseTenax/GC-MSno
FungiPenicillium ChrysogenumPotato dextrose agar and tobacco products.Closedloop stripping analysis and GC/TOF-MS.
FungiPenicillium Glabrum NRRL 766potato dextrose agar and Polyunsaturated Fatty AcidsSPME/ GC-MS
FungiPenicillium Paneum (Conidia)Malt extract mediumHeadspace analysis using a Fisons Instruments autosampler HS 800 (Interscience, Breda, The Netherlands) GC/MS.
FungiPenicillium Polonicummalt extract agar (MEA), wallpaper, plasterboardSPME/GC-MS
FungiPenicillium Sppgas-liquid chromatographyno
FungiPhialophora Fastigiata ConantDG18GC/MS
FungiPholiota SquarrosaMelin-Nor krans synthetic medium (modified)Headspace trapping ( using stir bar sorptive extraction )/ GC-MS
FungiPiptoporus BetulinusnaGC/MSNo
FungiPleurotus CystidiosusnaGC/MS, GC-O, AEDANo
FungiPleurotus Eryngii Var. TuoliensisnaGC/MS, GC-O, AEDANo
FungiPleurotus Ostreatusno
FungiRhizoctonia Solani AG2-2 IIIBPotato Dextrose Agar7Tenax TA / TDGC-MSyes
FungiRhizopus StoloniferPotato dextrose agar and tobacco products.Closedloop stripping analysis and GC/TOF-MS.
FungiRhizopus Stolonifer NRRL 54667potato dextrose agar and Polyunsaturated Fatty AcidsSPME/ GC-MS
FungiStropharia RugosoannulataMelin-Nor krans synthetic medium (modified)Headspace trapping ( using stir bar sorptive extraction )/ GC-MS
FungiTrametes SuaveolensnaGC/MSNo
FungiTrichoderma AtroviridePotato dextrose agarHS-SPME/GC-MS
FungiTrichoderma Atroviride ATCC 74058Potato dextrose agarHS-SPME/GC-MS
FungiTrichoderma ReeseiPotato dextrose agarHS-SPME/GC-MS
Fungi Trichoderma Sppno
FungiTrichoderma VirensPotato dextrose agarHS-SPME/GC-MS
FungiTrichoderma VirideMelin-Nor krans synthetic medium (modified)Headspace trapping ( using stir bar sorptive extraction )/ GC-MS
FungiTricholoma Matsutakeno
FungiTuber Aestivumn/an/a
FungiTuber Borchiin/an/a
FungiTuber Brumalen/amicroextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)
FungiTuber Excavatumn/amicroextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)
FungiTuber Indicumn/an/a
FungiTuber Indicum AM406672GC-MSyes
FungiTuber Melanosporumn/an/a
FungiTuber Uncinatumn/aSPME-GC-MS
FungiVerticillium LongisporumMelin-Nor krans synthetic medium (modified)Headspace trapping ( using stir bar sorptive extraction )/ GC-MS
Fungi Verticilliumspp.no
FungiAspergillus Versicoloringrain wallpaperGC/MS-SIMYes
FungiChaetomium Globosumingrain wallpaperGC/MS-SIMYes
FungiEurotium Amstelodamiingrain wallpaperGC/MS-SIMYes
FungiPenicillium Brevicompactumingrain wallpaperGC/MS-SIMYes
FungiPenicillium Sp.n/an/a
FungiTuber BorchiinaSPME-GC/MS/O); GC-RYes
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


Methyl Hexadec-9-enoate

Compound Details

Synonymous names
Palmitelaidic acid methyl ester
Methyl cis-9-hexadecenoate
methyl hexadec-9-enoate
AC1L23G5
CTK0I2512
CTK1B4279
9-Hexadecenoic acid, methyl ester
LP087515
ACMC-2099c6
ANW-16372
TRA0091388
AKOS025243510
methyl (E)-hexadec-9-enoate
10030-74-7
9-hexadecenoic acid, methyl ester, (9Z)-
IUPAC namemethyl hexadec-9-enoate
SMILESCCCCCCC=CCCCCCCCC(=O)OC
InchiInChI=1S/C17H32O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19-2/h8-9H,3-7,10-16H2,1-2H3
FormulaC17H32O2
PubChem ID14258
Molweight268.441
LogP6.04
Atoms51
Bonds50
H-bond Acceptor1
H-bond Donor0
Chemical Classificationesters alkenes

mVOC Specific Details


Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
FungiFistulina Hepatica (Schaeffer: Fr.) Frn/aoak trees (October 2003 from Wisent Park, Springe)Wu et al., 2005
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
FungiFistulina Hepatica (Schaeffer: Fr.) Frn/aThe MVOCS from the fruiting bodies of wild Fistulina hepatica were investigated by high resolution GC-MS, using a polar phase ZB-WAX. F.hepatica were isolated by liquid liquid extraction (CLLE).


Methyl Hexadecanoate

Mass-Spectra

Compound Details

Synonymous names
Methyl hexadecanoate
formyl hexadecanoate
FLIACVVOZYBSBS-UHFFFAOYSA-N
METHYL PALMITATE
Methyl n-hexadecanoate
Hexadecanoic acid methyl ester
Methyl palmitate, analytical standard
AC1Q5ZZN
Palmitic acid methyl ester
n-Hexadecanoic acid methyl ester
DPY8VCM98I
Hexadecanoic acid, methyl ester
AC1L1QG4
Uniphat A60
UNII-DPY8VCM98I
Palmitic acid, methyl ester
KSC492E9B
Methyl palmitate, >=97%
NSC4197
SCHEMBL37365
2178AA
Metholene 2216
P0006
CTK3J2290
S0311
CHEMBL335125
ACMC-2099em
Emery 2216
C16995
Radia 7120
HSDB 5570
HMS3650G09
Methyl palmitate, United States Pharmacopeia (USP) Reference Standard
Jsp000954
NSC 4197
NSC-4197
LP002416
SBB060596
STL146153
Hexadecanoic acid methyl ester (FAME MIX)
BBL010507
CS-D1457
AK114523
DTXSID4029149
CHEBI:69187
DSSTox_CID_9149
AX8139568
ANW-16460
CC-30788
AN-22697
SC-19066
DSSTox_GSID_29149
DSSTox_RID_78683
BB_NC-2294
C-28202
ZINC43871947
LMFA07010470
MFCD00008994
DB-041084
LS-178760
AI3-03509
TR-002423
KB-257908
ST51046747
ST24031200
RTR-002423
AKOS005715213
J-002763
FT-0628772
I14-13858
Palmitic acid, methyl ester (8CI)
Methyl palmitate, >=99% (capillary GC)
EiO notEa(1/4)xo yen
Tox21_202768
Methyl hexadecanoate, 97% 100g
112-39-0
NCGC00260315-01
MCULE-2282587787
CAS-112-39-0
E(R)AuEa(1/4)xo yen
EINECS 203-966-3
MolPort-001-780-242
WE(1:0/16:0)
844D5088-5CCF-4B2D-A678-EA5A7E8CB149
IUPAC namemethyl hexadecanoate
SMILESCCCCCCCCCCCCCCCC(=O)OC
InchiInChI=1S/C17H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19-2/h3-16H2,1-2H3
FormulaC17H34O2
PubChem ID8181
Molweight270.457
LogP6.4
Atoms53
Bonds52
H-bond Acceptor1
H-bond Donor0
Chemical Classificationesters

mVOC Specific Details

Boiling Point
DegreeReference
417 deg CLide, D.R. (ed.). CRC Handbook of Chemistry and Physics. 76th ed. Boca Raton, FL: CRC Press Inc., 1995-1996., p. 3-184
Volatilization
The Henry's Law constant for methyl palmitate is estimated as 0.009 atm-cu m/mole(SRC) using a fragment constant estimation method(1). This Henry's Law constant indicates that methyl palmitate is expected to volatilize from water surfaces(2). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec)(2) is estimated as approximately 5 hours(SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(2) is estimated as approximately 6.5 days(SRC). Methyl palmitate's Henry's Law constant(1) indicates that volatilization from moist soil surfaces may occur(SRC). The volatilization half-life from a model pond 2 m deep is estimated to be about 60 hours ignoring adsorption; when considering maximum adsorption the volatilization half-life increases to 150 days(3). Methyl palmitate is not expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 0.00006 mm Hg(4).
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) USEPA; EXAMS II Computer Simulation (1987) (4) Perry RH, Green D; Perry's Chemical Engineer's Handbook. Physical and Chemical Data. NY,NY: McGraw-Hill 6th ed (1984)
Solubility
Insol in water; very sol in ethyl alc, acetone; sol in ether
Literature: Lide, D.R. (ed.). CRC Handbook of Chemistry and Physics. 76th ed. Boca Raton, FL: CRC Press Inc., 1995-1996., p. 3-184
Literature: #Insoluble in water, soluble in alcohol and ether
Literature: Lewis, R.J., Sr (Ed.). Hawley's Condensed Chemical Dictionary. 12th ed. New York, NY: Van Nostrand Rheinhold Co., 1993, p. 776
Soil Adsorption
Using a structure estimation method based on molecular connectivity indices(1), the Koc for methyl palmitate can be estimated to be about 18,000(SRC). According to a classification scheme(2), this estimated Koc value suggests that methyl palmitate is expected to be immobile in soil.
Literature: (1) Meylan WM et al; Environ Sci Technol 26: 1560-67 (1992) (2) Swann RL et al; Res Rev 85: 17-28 (1983)
Vapor Pressure
PressureReference
6.04X10-5 @ 25 deg CPerry 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
FungiFistulina Hepatica (Schaeffer: Fr.) Frn/aoak trees (October 2003 from Wisent Park, Springe)Wu et al., 2005
BacteriaBurkholderia Tropica MTo431n/aTenorio-Salgado et al., 2013
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
FungiFistulina Hepatica (Schaeffer: Fr.) Frn/aThe MVOCS from the fruiting bodies of wild Fistulina hepatica were investigated by high resolution GC-MS, using a polar phase ZB-WAX. F.hepatica were isolated by liquid liquid extraction (CLLE).
BacteriaBurkholderia Tropica MTo431Potato dextrose agarHeadspace trapping/ GC-MS


2,2,4-trimethyl-3-oxabicyclo[2.2.2]octane

Mass-Spectra

Compound Details

Synonymous names
Eucalyptusoil
Cucalyptol
eucaliptol
Eucalyptol
Eucalyptole
Eukalyptol
Cajeputol
Cineolum
eucalytol
WEEGYLXZBRQIMU-UHFFFAOYSA-N
CINEOL
cineole
Eucapur
Soledum
Terpan
Zineol
Eucalyptol, analytical standard
EUCALYPTUS OIL
CNL
Zedoary oil
p-Cineole
AC1L1EEE
OILS EUCALYPTUS
Casella-med brand of cineole
Cineole (Eucalyptol)
Eucalyptol (natural)
Eucalyptol, Ph Helv
Eucalyptol (USAN)
Eucalyptol [USAN]
Eukalyptol [Czech]
GTPL2464
5750AF
Cineole (VAN)
Eucalyptol, 99%
NSC6171
SCHEMBL19622
SCHEMBL41020
CTK6B3326
Eucalyptol [USAN:USP]
HMDB04472
HMS501A15
HSDB 991
RV6J6604TK
1,8-Cineol
1,8-Cineole
BIDD:ER0481
CHEMBL485259
Cineole, European Pharmacopoeia (EP) Reference Standard
DB03852
Eucalyptol, certified reference material, TraceCERT(R)
Eucalyptol, United States Pharmacopeia (USP) Reference Standard
LS-128
1,8-Cineole, primary pharmaceutical reference standard
A19469
Acylated oxime isatin derivative, 19
bmse000523
C09844
CCRIS 3727
D04115
DSSTox_CID_616
HMS2271P04
SPECTRUM1500294
UNII-RV6J6604TK
ZINC967566
BT000181
CHEMBL1231862
CHEMBL1397305
DTXSID4020616
HE033340
HE083136
HE344413
NSC 6171
NSC-6171
NSC760388
p-Menthane,8-epoxy-
SBB057535
ST096004
CHEBI:27961
Eucalyptol, tested according to Ph.Eur.
NCI-C56575
1,8-Cineol;
1,8-Epoxy-p-menthane
1,8-Oxido-p-menthane
AC-20234
AN-23469
BSPBio_002405
CCG-36080
DSSTox_GSID_20616
FCH1679459
KB-51836
KBioGR_002194
SC-47256
SCHEMBL13554591
SCHEMBL17836873
DSSTox_RID_75692
MFCD00167977
NINDS_000333
SPBio_000261
Spectrum2_000221
Spectrum3_000683
Spectrum4_001747
Spectrum5_000704
ZINC00967566
AI3-00578
NSC-760388
ST50308096
TR-017465
1,8-cineol (eucalyptol)
AKOS015903223
AKOS016034339
DivK1c_000333
KBio1_000333
KBio3_001625
W-106080
FEMA No. 2465
FT-0607033
FT-0626369
IDI1_000333
MLS001050089
MLS001066338
SMR000471853
Ambap470-82-6
I14-18994
LMPR0102090019
Eucalyptol (cineole), pharmaceutical secondary standard; traceable to USP, PhEur
NCI60_005108
Tox21_111161
Tox21_202090
Tox21_302902
3B1-005465
470-82-6
p-Menthane, 1,8-epoxy-
8000-48-4
8024-52-0
8024-53-1
NCGC00091666-01
NCGC00091666-02
NCGC00091666-03
NCGC00091666-04
NCGC00091666-05
NCGC00095774-01
NCGC00178671-01
NCGC00256479-01
NCGC00259639-01
AB01563262_01
CAS-470-82-6
EINECS 207-431-5
10458-11-4
Eucalyptol, natural, >=99%, FCC, FG
Pharmakon1600-01500294
EC 207-431-5
SR-01000763816
Tox21_111161_1
855347-23-8
MolPort-003-929-343
MolPort-039-339-173
SR-01000763816-2
1,3-Trimethyl-2-oxabicyclo[2.2.2]octane
2-Oxa-1,3-trimethylbicyclo[2.2.2]octane
p-Menthane, 1,8-epoxy- (VAN)
2-Oxabicyclo[2.2.2]octane,3,3-trimethyl-
WLN: T66 A B AOTJ B1 B1 F1
1,3,3-Trimethyl-2-oxabicyclo(2.2.2)octane
1,3,3-Trimethyl-2-oxabicyclo[2,2,2]octan
1,3,3-trimethyl-2-oxabicyclo[2,2,2]octane
1,3,3-trimethyl-2-oxabicyclo[2.2.2]octan
1,3,3-Trimethyl-2-oxabicyclo[2.2.2]octane
2-Oxa-1,3,3-trimethylbicyclo(2.2.2)octane
2-Oxa-1,3,3-trimethylbicyclo[2.2.2]octane
2,2,4-trimethyl-3-oxabicyclo[2.2.2]octane
4,7,7-trimethyl-8-oxabicyclo[2.2.2]octane
{1,3,3-Trimethyl-2-oxabicyclo[2.2.2]octane}
{2-Oxa-1,3,3-trimethylbicyclo[2.2.2]octane}
2-Oxabicyclo(2.2.2)octane, 1,3,3-trimethyl-
2-Oxabicyclo[2.2.2]octane, 1,3,3-trimethyl-
{2-Oxabicyclo[2.2.2]octane,} 1,3,3-trimethyl-
1,3,3-trimethyl-2-oxabicyclo[2.2.2]octane (ACD/Name 4.0)
InChI=1/C10H18O/c1-9(2)8-4-6-10(3,11-9)7-5-8/h8H,4-7H2,1-3H
IUPAC name2,2,4-trimethyl-3-oxabicyclo[2.2.2]octane
SMILESCC1(C2CCC(O1)(CC2)C)C
InchiInChI=1S/C10H18O/c1-9(2)8-4-6-10(3,11-9)7-5-8/h8H,4-7H2,1-3H3
FormulaC10H18O
PubChem ID2758
Molweight154.253
LogP2.35
Atoms29
Bonds30
H-bond Acceptor1
H-bond Donor0
Chemical ClassificationTerpenes ethers

mVOC Specific Details

Volatilization
The Henry's Law constant for 1,8-cineole is estimated as 1.1X10-4 atm-cu m/mole(SRC) derived from its vapor pressure, 1.90 mm Hg(1), and water solubility, 3.5X10+3 mg/L(2). This Henry's Law constant indicates that cineole 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 13 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 8 days(SRC). 1,8-Cineole's estimated Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). The potential for volatilization of 1,8-cineole from dry soil surfaces may exist(SRC) based upon the vapor pressure(1).
Literature: (1) Riddick JA et al, eds; Techniques of Chemistry. 4th ed. Vol II. Organic Solvents. New York, NY: John Wiley and Sons, (1985) (2) Yalkowsky SH et al; Handbook of Aqueous Solubility Data. 2nd ed., Boca Raton, FL: CRC Press p. 730 (2010) (3) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990)
Soil Adsorption
The Koc of 1,8-cineole is estimated as 220(SRC), using a log Kow of 2.74(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that 1,8-cineole is expected to have moderate mobility in soil. In soil infiltration studies using secondary effluent from Fort Polk, LA collected Nov 4-5 1980, 1,8-cineole, present at 0.091 ug/L, was not detected in column fluid effluents on the second inundation cycle(4).
Literature: (1) Griffin S et al; J Chromatogr 864: 221-28 (1999) (2) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.1. Nov, 2012. Available from, as of Apr 20, 2014: http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm (3) Swann RL et al; Res Rev 85: 17-28 (1983) (4) Hutchins SR et al; Environ Toxicol Chem 2: 195-216 (1983)
Vapor Pressure
PressureReference
1.90 mm Hg at 25 deg CRiddick, J.A., W.B. Bunger, Sakano T.K. Techniques of Chemistry 4th ed., Volume II. Organic Solvents. New York, NY: John Wiley and Sons., 1985., p. 307
MS-Links

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
FungiHypoxylon Antochroum Blacinaendophytic in Bursera lancifoliaUlloa-Benítez et al., 2016
Fungi Fistulina HepaticaWu et al. 2005
Fungi Fusarium FujikuroiBrock et al. 2011
FungiGanoderma Lucidumnasaprophytic on deciduous treesZiegenbein et al., 2006
Fungi Gloeophyllum OdoratumKahlos et al. 1994
Fungi Hypoxylon AnthochroumShaw et al. 2015
FungiAntrodia Cinnamomea ATCC 200183nanaLu et al., 2014
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
FungiHypoxylon Antochroum BlaciPDA/WA + 500 mg l^-1 ChloramphenicolSPME-GC/MSYes
Fungi Fistulina Hepaticano
Fungi Fusarium Fujikuroino
FungiGanoderma LucidumnaGC/MSNo
Fungi Gloeophyllum Odoratumno
Fungi Hypoxylon Anthochroumno
FungiAntrodia Cinnamomea ATCC 200183PDAGC/MSYes


2-methylpentanoic Acid

Mass-Spectra

Compound Details

Synonymous names
Methylpropylacetic acid
OVBFMEVBMNZIBR-UHFFFAOYSA-N
alpha-Methylvaleric acid
2-METHYLVALERICACID
Kyselina 2-methylvalerova
2-Pentanecarboxylic acid
2-Methylpentanoic acid
AC1Q5RQQ
AC1Q2UJI
AC1L1OJJ
2-METHYLVALERIC ACID
2-methyl-pentanoic acid
.alpha.-Methylvaleric acid
2-methyl valeric acid
KSC203S7N
Pentanoic acid, methyl-
6829AC
NSC8406
CTK1A3976
M0610
Kyselina 2-methylvalerova [Czech]
SCHEMBL148477
ACMC-209s8o
2-Methyl-n-valeric acid
DTXSID9021633
SBB065915
CHEMBL1204680
LS-2967
OR252189
NSC 8406
NSC-8406
OR019860
OR133634
AK112842
DSSTox_CID_1633
DSSTox_GSID_21633
2-Methylvaleric acid, 98%
TRA0016584
n-C3H7CH(CH3)COOH
Pentanoic acid, 2-methyl-
ANW-40870
AN-24455
( inverted exclamation markA)-2-Methylvaleric acid
DSSTox_RID_76247
Valeric acid, 2-methyl-
MFCD00002671
LMFA01020074
AI3-26042
ST24022351
KB-173843
TR-030237
KB-173570
RTR-030237
AKOS000120958
AKOS016843863
I04-0840
W-100103
FT-0613070
WLN: QVY3 & 1
FEMA No. 2754
BRN 1720655
97-61-0
Z955123722
Tox21_200935
CAS-97-61-0
NCGC00258489-01
NCGC00248880-01
MCULE-7779384365
EINECS 202-594-9
27936-41-0
22160-39-0
2-Methylpentanoic acid, >=98%, FCC, FG
MolPort-001-791-362
4-02-00-00942 (Beilstein Handbook Reference)
IUPAC name2-methylpentanoic acid
SMILESCCCC(C)C(=O)O
InchiInChI=1S/C6H12O2/c1-3-4-5(2)6(7)8/h5H,3-4H2,1-2H3,(H,7,8)
FormulaC6H12O2
PubChem ID7341
Molweight116.16
LogP1.91
Atoms20
Bonds19
H-bond Acceptor2
H-bond Donor1
Chemical Classificationcarboxylic acids

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
Fungi Fistulina HepaticaWu et al 2005
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
Fungi Fistulina Hepaticano


6-pentylpyran-2-one

Mass-Spectra

Compound Details

Synonymous names
MAUFTTLGOUBZNA-UHFFFAOYSA-N
8JTW8HL4PJ
AC1L1QN3
UNII-8JTW8HL4PJ
6-PENTYL-ALPHA-PYRONE
6 Amyl Alpha Pyrone
6-Amyl-alpha-pyrone
CTK6D7223
6-n-pentyl-alpha-pyrone
ACMC-209gy8
6-pentylpyran-2-one
6-Amyl-A-pyrone
OR28306
SCHEMBL968257
CHEMBL503899
6-Pentyl-2-pyrone
NSC721361
DTXSID0047589
6-Amyl-2-pyrone
CA-1136
SBB008445
AK307138
HE009631
FR-2070
CHEBI:66729
ZINC1663619
ANW-26238
6-pentyl-pyran-2-one
KB-45893
CJ-26861
DSSTox_GSID_47589
MFCD00047551
ZINC01663619
ZX-AT021943
DSSTox_RID_82436
DSSTox_CID_27589
2-Pyrone, 6-pentyl
C-50264
6-Pentyl-.alpha.-pyrone
TR-012343
ST50828007
6-Amyl-.alpha.-pyrone
NSC-721361
AKOS015839660
FEMA No. 3696
FT-0620947
TRA-0189859
5-Hydroxy-2,4-decadienoic acid delta-lactone
5-hydroxy-2,4-decadienoic acid gamma-lactone
.alpha.-Pyrone, 6-pentyl
6-N-Amyl .alpha.-pyrone
I14-85605
NCI60_041518
Tox21_302570
6-Pentyl-2H-pyran-2-one
Pyran-2-one, 6-pentyl-
NCGC00256764-01
MCULE-5618749422
EINECS 248-552-3
6-Amyl-alpha-pyrone, >=96%, FG
27593-23-3
2H-Pyran-2-one, 6-pentyl-
CAS-27593-23-3
IUPAC name6-pentylpyran-2-one
SMILESCCCCCC1=CC=CC(=O)O1
InchiInChI=1S/C10H14O2/c1-2-3-4-6-9-7-5-8-10(11)12-9/h5,7-8H,2-4,6H2,1H3
FormulaC10H14O2
PubChem ID33960
Molweight166.22
LogP2.8
Atoms26
Bonds26
H-bond Acceptor1
H-bond Donor0
Chemical Classificationlactones heterocyclic compounds esters pyrones

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
FungiTrichoderma Atroviride ATCC 74058n/aStoppacher et al., 2010
FungiTrichoderma Reesein/aCrutcher et al., 2013
FungiTrichoderma Atroviridenawater damaged buildings, BelgiumPolizzi et al., 2012
Fungi Aspergillus Sp.Kikuchi et al 1974
Fungi Fistulina HepaticaWu et al. 2005
Fungi Fusarium SolaniNago et al. 1993
Fungi Gleosporium Sp.Schaible et al. 2015
Fungi Trichoderma SppDickschat 2017
Fungi Trichoderma ViridaeCollinsand Halim 1972
FungiTrichoderma Asperellum IsmT5rhizosphere of maize cultivated in Ismailia,EgyptKottb et al. 2015
FungiTrichoderma Virensn/aCrutcher et al., 2013
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
FungiTrichoderma Atroviride ATCC 74058Potato dextrose agarHS-SPME/GC-MS
FungiTrichoderma ReeseiPotato dextrose agarHS-SPME/GC-MS
FungiTrichoderma Atroviridemalt extract agar; potato dextrose agar; water agar; yeast extract agar; Czapek agarSPME-GC/MSNo
Fungi Aspergillus Sp.no
Fungi Fistulina Hepaticano
Fungi Fusarium Solanino
Fungi Gleosporium Sp.no
Fungi Trichoderma Sppno
Fungi Trichoderma Viridaeno
FungiTrichoderma Asperellum IsmT5nutrient broth agarSuper Q / GC/MSyes
FungiTrichoderma VirensPotato dextrose agarHS-SPME/GC-MS


(Z)-2-methylbut-2-enoic Acid

Mass-Spectra

Compound Details

Synonymous names
Angelicasaeure
Angelikasaeure
alpha-methylisocrotonic acid
UIERETOOQGIECD-ARJAWSKDSA-N
acide angelique
acido angelico
alpha-methyl isocrotonic acid
Angelic acid
2-Methylisocrotonic acid
cis-2-dimethylcrotonic acid
AC1LD88O
Z-2-methylcrotonic acid
CHEMBL55941
54U4ZPB36F
H6239
SCHEMBL133954
cis-2,3-dimethylacrylic acid
NSC96885
ZINC897447
UNII-54U4ZPB36F
AK307425
OR000261
STL163578
ST088024
BBL012257
2-methyl-2Z-butenoic acid
SBB071598
OR286000
CHEBI:36431
CC-24130
(Z)-2-methylcrotonic acid
NSC-96885
NSC 96885
KB-47402
MFCD00002654
LMFA01020029
ZX-AT028248
cis-2-Methyl-2-butenoic acid
Z-2-methyl-2-butenoic acid
TR-019840
DB-007259
AKOS003662964
Q-201832
FT-0605364
(Z) CH3CH=C(CH3)COOH
2-Methyl-2-butenoic acid, cis
I14-108119
565-63-9
(Z)-2-methylbut-2-enoic acid
(Z)-2-Methyl-2-butenoic Acid
EINECS 209-284-2
(2Z)-2-methylbut-2-enoic acid
(2Z)-2-Methyl-2-butenoic acid
MolPort-006-111-892
Crotonic acid, 2-methyl-, (Z)-
2-Butenoic acid, 2-methyl-, (Z)-
2-butenoic acid, 2-methyl-, (2Z)-
Crotonic acid, 2-methyl-, (Z)- (8CI)
InChI=1/C5H8O2/c1-3-4(2)5(6)7/h3H,1-2H3,(H,6,7)/b4-3
IUPAC name(Z)-2-methylbut-2-enoic acid
SMILESCC=C(C)C(=O)O
InchiInChI=1S/C5H8O2/c1-3-4(2)5(6)7/h3H,1-2H3,(H,6,7)/b4-3-
FormulaC5H8O2
PubChem ID643915
Molweight100.117
LogP1.32
Atoms15
Bonds14
H-bond Acceptor2
H-bond Donor1
Chemical Classificationcarboxylic acids alkenes

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
Fungi Fistulina HepaticaWu et al 2007
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
Fungi Fistulina Hepaticano


Methyl (E)-3-phenylprop-2-enoate

Mass-Spectra

Compound Details

Synonymous names
Methylcinnamate
CCRCUPLGCSFEDV-BQYQJAHWSA-N
Methyl cinnamylate
Methyl cinnamate
methyl-cinnamate
Benzeneacrylic acid methyl ester
methyl trans cinnamate
Methyl trans-cinnamate
trans-Methyl cinnamate
Cinnamic acid methyl
Methyl 3-phenylpropenoate
Methyl cinnamate, analytical reference material
Methyl 3-phenylacrylate
AC1LCUE5
AC1Q5YZH
Cinnamic acid methyl ester
Methyl trans-cinnamate, analytical standard
Methyl trans-3-Phenylacrylate
trans-Cinnamic acid methyl ester
Methyl 3-phenyl propenoate
Nat. Methyl Cinnamate
AC1Q41KG
533CV2ZCQL
CINNAMIC ACID, METHYL ESTER
Methyl cinnamate (natural)
PubChem8189
A517
trans-3-Phenylacrylic Acid Methyl Ester
CHEMBL55060
NSC9411
UNII-533CV2ZCQL
(E)-Methyl cinnamate
Methyl (E)-cinnamate
SemaSORB 9815
EBD44996
Methyl 3-phenyl-2-propenoate
methyl-3 phenylprop-2-enoate
methyl-3-phenylprop-2-enoate
RP17386
SCHEMBL101530
C06358
CHEBI:6857
Methyl trans-cinnamate, 99%
ZINC896129
AK312789
DTXSID5044314
LS-2916
Methyl (E)-3-phenylpropenoate
Methyl trans-3-phenyl-2-propenoate
NSC 9411
NSC-9411
OR025160
OR231744
SBB058222
TL806143
trans-Methyl 3-Phenyl-2-propenoate
WLN: 1OV1U1R
ZB015073
3-Phenyl-2-propenoic acid methyl
Methyl cinnamate, (E)
3-Phenyl-2-propenoic acid methyl ester
AJ-24225
AK-93451
AN-24625
DSSTox_GSID_44314
Methyl (2E)-3-phenylpropenoate
DSSTox_CID_22151
DSSTox_RID_80147
Methyl (2E)-3-phenylacrylate
MFCD00008458
ZINC00896129
AI3-00579
KB-203137
RTR-030565
ST24031190
ST50411952
TC-166123
TR-030565
trans-3-Phenyl-2-propenoic acid methyl ester
(E)-3-Phenylacrylic acid methyl ester
AKOS015890136
ghl.PD_Mitscher_leg0.369
I01-5731
I01-7774
J-000917
J-011115
J-522598
Q-100258
FEMA No. 2698
FT-0623832
Tox21_301384
103-26-4
Methyl (E)-3-phenyl-2-propenoate
Methyl (E)-3-phenylprop-2-enoate
1754-62-7
Methyl cinnamate, 99% 100g
Methyl trans-cinnamate, >=98%, FCC, FG
NCGC00255910-01
EINECS 203-093-8
methyl (2E)-3-phenylprop-2-enoate
Cinnamic acid, methyl ester, (E)-
Methyl 3-phenyl propenoate; 3-Phenyl-2-propenoic acid methyl ester
Methyl cinnamate, >=99.0% (GC)
(E)-3-Phenyl-2-propenoic acid methyl ester
CAS-1754-62-7
Methyl cinnamate, natural, >=98%, FCC, FG
403649-70-7
925685-28-5
Methyl (2E)-3-phenyl-2-propenoate #
(2E)-3-Phenyl-2-propenoic acid methyl ester
MolPort-001-783-139
MolPort-019-640-936
2-PROPENOIC ACID, 3-PHENYL-, METHYL ESTER, (E)-
2-propenoic acid, 3-phenyl-, methyl ester, (2E)-
InChI=1/C10H10O2/c1-12-10(11)8-7-9-5-3-2-4-6-9/h2-8H,1H3/b8-7
IUPAC namemethyl (E)-3-phenylprop-2-enoate
SMILESCOC(=O)C=CC1=CC=CC=C1
InchiInChI=1S/C10H10O2/c1-12-10(11)8-7-9-5-3-2-4-6-9/h2-8H,1H3/b8-7+
FormulaC10H10O2
PubChem ID637520
Molweight162.188
LogP2.52
Atoms22
Bonds22
H-bond Acceptor1
H-bond Donor0
Chemical Classificationbenzenoids alkenes esters

mVOC Specific Details


Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
FungiFistulina Hepatica (Schaeffer: Fr.) Frn/aoak trees (October 2003 from Wisent Park, Springe)Wu et al., 2005
Fungi Lentius LepideusBirkinshaw and findlay 1940
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
FungiFistulina Hepatica (Schaeffer: Fr.) Frn/aThe MVOCS from the fruiting bodies of wild Fistulina hepatica were investigated by high resolution GC-MS, using a polar phase ZB-WAX. F.hepatica were isolated by liquid liquid extraction (CLLE).
Fungi Lentius Lepideusno


(E)-2-methylbut-2-enoic Acid

Mass-Spectra

Compound Details

Synonymous names
Methylbutenoicacid
methylmethacrylic acid
Tiglinsaeure
Tiglicacid
Cevadate
Tiglinate
UIERETOOQGIECD-ONEGZZNKSA-N
alpha-Methylcrotonic acid
epsilon-Tiglate
sabadillic acid
tiglate
trans-alpha,beta-Dimethylacrylate
methyl methacrylic acid
Tiglinic acid
Cevadic acid
methyl crotonic acid
TIGLIC ACID
E-Tiglate
epsilon-Tiglic acid
trans-2-Methylcrotonate
trans-alpha,beta-Dimethylacrylic acid
2-Methylcrotonic acid
AC1L2OMB
AC1Q5RFD
alpha-methyl-crotonic acid
alpha,beta-dimethyl acrylic acid
2-methyl-Crotonate
E-Tiglic acid
trans-2-Methylcrotonic acid
2,3-Dimethylacrylate
2-methyl-Crotonic acid
GTPL6499
trans-2,3-Dimethylacrylate
2,3-Dimethylacrylic acid
7388AF
CHEMBL52416
NSC8999
SCHEMBL15042
HMDB01470
trans-2,3-Dimethylacrylic acid
2-methyl-2-butenoate
2-Methylbut-2-enoate
NE11152
NSC44235
(E)-2-Methylcrotonate
bmse000727
C08279
CHEBI:9592
HSDB 7614
I5792N03HC
trans-2-Methyl-2-butenoate
ZINC897443
(E)-tiglic acid
2-Methyl-2-butenoic acid
2-methyl-2E-butenoic acid
2-methylbut-2-enoic acid
BC206708
LS-2908
NSC-8999
OR035663
CHEBI:36432
UNII-I5792N03HC
(E)-2-Methylcrotonic acid
AN-42195
KB-61732
NSC 44235
NSC-44235
trans-2-Methyl-2-butenoic acid
(E)-2-methyl-Crotonate
ACN-S001613
BB_NC-2228
LMFA01020030
MFCD00066864
2-Butenoic acid,2-methyl-
AI3-36118
trans-Crotonic acid, 2-methyl-
(E)-2,3-Dimethylacrylate
AKOS003375681
alpha-Methylcrotonic acid, (E)-
I04-0738
trans-.alpha.,.beta.-Dimethylacrylic acid
(E)-2-methyl-Crotonic acid
BRN 1236500
FEMA No. 3599
FT-0675231
(E)-2,3-Dimethylacrylic acid
80-59-1
Tiglic acid, (E)-
trans-2,3-Dimethylacrylic acid (Tiglic acid)
(E)-2-methyl-2-Butenoate
2-methyl-(E)-2-butenoate
trans-2-Methylcrotonic acid = trans-2-Methyl-2-butenoate
trans-2,3-Dimethylacrylic acid, 98%
(2E)-2-Methyl-2-butenoate
(E)-2-Methyl-2-butenoic acid
(E)-2-Methylbut-2-enoic acid
2-methyl-(E)-2-butenoic acid
EINECS 201-295-0
EINECS 236-167-3
trans-2-Methylcrotonic acid = trans-2-Methyl-2-butenoic acid
13201-46-2
(2E)-2-Methyl-2-butenoic acid
(2E)-2-methylbut-2-enoic acid
2,3-Dimethylacrylic acid, (E)-
trans-2-Methylcrotonic acid = trans-2-Methyl-2-butenoic acid = Tiglinate
MolPort-001-766-679
(2E)-2-Methyl-2-butenoic acid #
trans-2-Methylcrotonic acid = trans-2-Methyl-2-butenoic acid = Tiglinic acid
trans-2-Methyl-2-butenoic acid, >=99%, FG
2-Methyl-2-butenoic acid, (E)-
Crotonic acid, 2-methyl-, (E)-
2-Butenoic acid,2-methyl-, (2E)-
2-Butenoic acid, 2-methyl-, (E)-
4-02-00-01552 (Beilstein Handbook Reference)
2-Butenoic acid, 2-methyl-, (2E)-
alpha,beta-dimethyl acrylic acid; 2-Methyl-2-butenoic acid; (E)-2-methyl-Crotonic acid
2-Butenoic acid, 2-methyl-, (E)- (9CI)
InChI=1/C5H8O2/c1-3-4(2)5(6)7/h3H,1-2H3,(H,6,7)/b4-3
IUPAC name(E)-2-methylbut-2-enoic acid
SMILESCC=C(C)C(=O)O
InchiInChI=1S/C5H8O2/c1-3-4(2)5(6)7/h3H,1-2H3,(H,6,7)/b4-3+
FormulaC5H8O2
PubChem ID125468
Molweight100.117
LogP1.32
Atoms15
Bonds14
H-bond Acceptor2
H-bond Donor1
Chemical Classificationcarboxylic acids alkenes

mVOC Specific Details

Boiling Point
DegreeReference
198.5 deg C at 760 mm Hg, 95.0-96 deg C at 11.5 mm HgO'Neil, M.J. (ed.). The Merck Index - An Encyclopedia of Chemicals, Drugs, and Biologicals. Whitehouse Station, NJ: Merck and Co., Inc., 2006., p. 1621
Vapor Pressure
PressureReference
1.33X10-1 mm Hg at 25 deg CPerry RH and Green D; Perry's Chemical Handbook. 6th ed. New York, NY: McGraw Hill p. 3-61 (1984)
MS-Links
1D-NMR-Links

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
Fungi Fistulina HepaticaWu et al 2006
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
Fungi Fistulina Hepaticano


Methyl Octadec-9-enoate

Compound Details

Synonymous names
Methyl 9-octadecenoate
AC1L1QHV
Methyl cis-9-octadecenoate
9-Octadecenoic acid,methyl ester
KSC492C0P
ACMC-209exc
CTK4F4070
CTK4E1349
CTK3J2107
ACMC-209t6b
Emerest 2301
LP106947
ANW-42081
ANW-23614
AN-22713
AN-22224
(Z)-9-Octadecenoic acid methyl ester
AKOS030228845
MCULE-8140747078
2462-84-2
EINECS 219-559-9
9-Octadecenoic acid, methyl ester, (9E)-
IUPAC namemethyl octadec-9-enoate
SMILESCCCCCCCCC=CCCCCCCCC(=O)OC
InchiInChI=1S/C19H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h10-11H,3-9,12-18H2,1-2H3
FormulaC19H36O2
PubChem ID8202
Molweight296.495
LogP6.93
Atoms57
Bonds56
H-bond Acceptor1
H-bond Donor0
Chemical Classificationesters

mVOC Specific Details

Boiling Point
DegreeReference
218.5 deg C @ 20 mm HgLide, D.R. (ed.). CRC Handbook of Chemistry and Physics. 76th ed. Boca Raton, FL: CRC Press Inc., 1995-1996., p. 3-228
Volatilization
The Henry's Law constant for methyl oleate is estimated as 0.014 atm-cu m/mole(SRC) using a fragment constant estimation method(1). This Henry's Law constant indicates that methyl oleate is expected to volatilize rapidly from water surfaces(2). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec)(2) is estimated as approximately 5 hours(SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(2) is estimated as approximately 7 days(SRC). The volatilization half-life from a model pond 2 m deep is estimated to be about 61 hours ignoring adsorption; when considering maximum adsorption the volatilization half-life increases to 18 months(3). Methyl oleate's Henry's Law constant(1) indicates that volatilization from moist soil surfaces may occur(SRC). Methyl oleate is not expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 6.3X10-6 mm Hg(4).
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) USEPA; EXAMS II Computer Simulation (1987) (4) 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)
Solubility
Insol in water; miscible with ethyl alcohol, ether; sol in chloroform
Literature: Lide, D.R. (ed.). CRC Handbook of Chemistry and Physics. 76th ed. Boca Raton, FL: CRC Press Inc., 1995-1996., p. 3-228
Soil Adsorption
Using a structure estimation method based on molecular connectivity indices(1), the Koc for methyl oleate can be estimated to be about 62,000(SRC). According to a classification scheme(2), this estimated Koc value suggests that methyl oleate is expected to be immobile in soil.
Literature: (1) Meylan WM et al; Environ Sci Technol 26: 1560-67 (1992) (2) Swann RL et al; Res Rev 85: 17-28 (1983)
Vapor Pressure
PressureReference
6.29X10-6 at 25 deg CDaubert, T.E., R.P. Danner. Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, D.C.: Taylor and Francis, 1989.

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
FungiFistulina Hepatica (Schaeffer: Fr.) Frn/aoak trees (October 2003 from Wisent Park, Springe)Wu et al., 2005
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
FungiFistulina Hepatica (Schaeffer: Fr.) Frn/aThe MVOCS from the fruiting bodies of wild Fistulina hepatica were investigated by high resolution GC-MS, using a polar phase ZB-WAX. F.hepatica were isolated by liquid liquid extraction (CLLE).


Dimethyl Oxalate

Mass-Spectra

Compound Details

Synonymous names
Dimethyloxalate
dimethyl ethanedioate
LOMVENUNSWAXEN-UHFFFAOYSA-N
Dimethyl oxalate
METHYL OXALATE
dimethyl oxalate radical cation
Oxalic acid dimethyl
AC1L1WNT
Oxalic acid dimethyl ester
Ethanedioic acid, dimethyl ester
AC1Q41NE
SCHEMBL8295
Oxalic acid, dimethyl ester
KSC492I1J
Methyl oxalate; Oxalic acid dimethyl ester
NSC9374
ACMC-209lmq
O0080
CTK3J2414
NE10581
RP19293
dimethyl ethane-1,2-dioate
CHEBI:6859
C10900
IQ3Q79344S
Ethanedioicacid, 1,2-dimethyl ester
SBB040902
NSC-9374
NSC 9374
OR025041
DTXSID9060287
STL146620
BBL011507
ZINC1532047
A830619
UNII-IQ3Q79344S
SC-81002
CJ-24113
CJ-05237
ANW-32304
AN-23672
LS-99429
AB1003115
TRA0001393
Ethanedioic acid, 1,2-dimethyl ester
MFCD00008442
BB_SC-7155
ST50214504
RTR-019525
KB-251654
TR-019525
AI3-21214
S01-0414
AKOS000269022
Q-200995
FT-0625150
Dimethyl oxalate, ReagentPlus(R), 99%
EN300-20093
F0001-1452
553-90-2
MCULE-5018268642
EINECS 209-053-6
Dimethyl oxalate, Vetec(TM) reagent grade, 98%
MolPort-000-872-065
132425-EP2269990A1
132425-EP2295425A1
132425-EP2287157A1
InChI=1/C4H6O4/c1-7-3(5)4(6)8-2/h1-2H
IUPAC namedimethyl oxalate
SMILESCOC(=O)C(=O)OC
InchiInChI=1S/C4H6O4/c1-7-3(5)4(6)8-2/h1-2H3
FormulaC4H6O4
PubChem ID11120
Molweight118.088
LogP0.49
Atoms14
Bonds13
H-bond Acceptor2
H-bond Donor0
Chemical Classificationesters

mVOC Specific Details


Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
FungiFistulina Hepatica (Schaeffer: Fr.) Frn/aoak trees (October 2003 from Wisent Park, Springe)Wu et al., 2005
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
FungiFistulina Hepatica (Schaeffer: Fr.) Frn/aThe MVOCS from the fruiting bodies of wild Fistulina hepatica were investigated by high resolution GC-MS, using a polar phase ZB-WAX. F.hepatica were isolated by liquid liquid extraction (CLLE).