Results for:
Species: Fistulina hepatica

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

Mass-Spectra

Compound Details

Synonymous names
Methyl cinnamate
103-26-4
Methyl trans-cinnamate
1754-62-7
Methyl (E)-cinnamate
Cinnamic acid methyl ester
Methyl (E)-3-phenylprop-2-enoate
Methyl 3-phenylpropenoate
Methyl cinnamylate
Methyl 3-phenylacrylate
Methylcinnamate
trans-Methyl cinnamate
(E)-Methyl cinnamate
Methyl trans-3-phenyl-2-propenoate
methyl-3-phenylprop-2-enoate
Methyl 3-phenyl-2-propenoate
FEMA No. 2698
methyl (2E)-3-phenylprop-2-enoate
trans-Cinnamic acid methyl ester
CINNAMIC ACID, METHYL ESTER
SemaSORB 9815
2-Propenoic acid, 3-phenyl-, methyl ester
2-propenoic acid, 3-phenyl-, methyl ester, (2E)-
Methyl (E)-3-phenyl-2-propenoate
2-PROPENOIC ACID, 3-PHENYL-, METHYL ESTER, (E)-
trans-Methyl 3-Phenyl-2-propenoate
Cinnamic acid, methyl ester, (E)-
(E)-3-Phenylacrylic acid methyl ester
533CV2ZCQL
methyl 3-phenylprop-2-enoate
CHEBI:6857
Methyl (2E)-3-phenylacrylate
Methyl (E)-3-phenylpropenoate
DTXSID5044314
NSC 9411
NSC-9411
MFCD00008458
Methyl cinnamate (natural)
cis-methyl cinnamate
Methyl cinnamate, (E)
EINECS 203-093-8
UNII-533CV2ZCQL
DTXSID6042151
AI3-00579
Methyl (2E)-3-phenyl-2-propenoate
3-Phenyl-2-propenoic acid methyl ester
Methyl(E)-cinnamate
methyl trans cinnamate
methyl-trans-cinnamate
EC 203-093-8
WLN: 1OV1U1R
ghl.PD_Mitscher_leg0.369
CHEMBL55060
Methyl trans-3-Phenylacrylate
Methyl trans-cinnamate, 99%
SCHEMBL101530
METHYL CINNAMATE [FCC]
(e)-cinnamic acid methyl ester
METHYL CINNAMATE [FHFI]
DTXCID4022151
DTXCID5028118
METHYL CINNAMATE, (E)-
Methyl (2E)-3-phenylpropenoate
NSC9411
3-Phenyl-2-propenoic acid methyl
CHEBI:194138
Tox21_301384
Tox21_304025
s6221
STL582416
Methyl cinnamate, >=99.0% (GC)
AKOS015890136
CS-W017928
HY-W017212
CINNAMIC ACID METHYL ESTER [MI]
Methyl (2E)-3-phenyl-2-propenoate #
trans-3-Phenylacrylic Acid Methyl Ester
NCGC00255910-01
NCGC00357235-01
CAS-103-26-4
DS-17838
LS-13765
CAS-1754-62-7
Methyl trans-cinnamate, analytical standard
Methyl trans-cinnamate, >=98%, FCC, FG
(E)-3-Phenyl-2-propenoic acid methyl ester
(E)-methyl ester 3-phenyl-2-propenoic acid
NS00001299
(2E)-3-Phenyl-2-propenoic acid methyl ester
EN300-91678
trans-3-Phenyl-2-propenoic acid methyl ester
C06358
EN300-365971
Methyl cinnamate, analytical reference material
Methyl cinnamate, natural, >=98%, FCC, FG
P16737
trans-3-phenyl-prop-2-enoic acid methyl ester
Q204178
J-000917
J-011115
J-522598
Q-100258
Z19782655
InChI=1/C10H10O2/c1-12-10(11)8-7-9-5-3-2-4-6-9/h2-8H,1H3/b8-7
Microorganism:

No

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
Molweight162.18
LogP2.6
Atoms12
Bonds3
H-bond Acceptor2
H-bond Donor0
Chemical Classificationaromatic compounds esters benzenoids
CHEBI-ID194138
Supernatural-IDSN0042129-01

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaFistulina Hepatican/aoak trees (October 2003 from Wisent Park, Springe)Wu et al. 2005
EukaryotaLentinus LepideusNABirkinshaw and Findlay 1940
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaFistulina Hepatican/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).no
EukaryotaLentinus Lepideusno


1,3,3-trimethyl-2-oxabicyclo[2.2.2]octane

Mass-Spectra

Compound Details

Synonymous names
Eucalyptol
cineole
1,8-Cineole
470-82-6
1,8-Cineol
Cajeputol
1,8-Epoxy-p-menthane
Eucalyptole
Eucapur
Zineol
Terpan
p-Cineole
1,3,3-Trimethyl-2-oxabicyclo[2.2.2]octane
1,8-Oxido-p-menthane
Eukalyptol
CINEOL
Cucalyptol
Soledum
8000-48-4
p-Menthane, 1,8-epoxy-
Eukalyptol [Czech]
Eucalyptol (natural)
FEMA No. 2465
2-Oxabicyclo[2.2.2]octane, 1,3,3-trimethyl-
Cineole (VAN)
Eucaly
NCI-C56575
NSC-6171
2-Oxabicyclo(2.2.2)octane, 1,3,3-trimethyl-
1,3,3-Trimethyl-2-oxabicyclo(2.2.2)octane
2-Oxa-1,3,3-trimethylbicyclo(2.2.2)octane
NSC6171
NSC 6171
RV6J6604TK
DTXSID4020616
CHEBI:27961
2-Oxa-1,3,3-trimethylbicyclo[2.2.2]octane
MFCD00167977
DTXCID60616
CNL
4,7,7-trimethyl-8-oxabicyclo[2.2.2]octane
Eucalyptol [USAN]
NCGC00091666-01
NCGC00091666-04
EUCALYPTOL (II)
EUCALYPTOL [II]
CINEOLE (MART.)
CINEOLE [MART.]
EUCALYPTOL (USP-RS)
EUCALYPTOL [USP-RS]
CINEOLE (EP MONOGRAPH)
CINEOLE [EP MONOGRAPH]
(1s,4s)-1,3,3-trimethyl-2-oxabicyclo[2.2.2]octane
EUCALYPTOL (USP IMPURITY)
EUCALYPTOL [USP IMPURITY]
EUCALYPTOL (USP MONOGRAPH)
EUCALYPTOL [USP MONOGRAPH]
Eucalyptol 1000 ug/mL in Methanol
UNII-RV6J6604TK
CAS-470-82-6
SMR000471853
1,8 Cineole
CCRIS 3727
HSDB 991
Cineole (Eucalyptol)
1,8 Cineol
1,8 Epoxy p menthane
Eucalyptol [USAN:USP]
EINECS 207-431-5
cineoles
Rosatra
Terpane
Cyneol
BIDD:ER0481
AI3-00578
2,2,4-trimethyl-3-oxabicyclo[2.2.2]octane
Eucalyptol,(S)
Germ Free ARIA
Eucalyptol (USP)
1.8-cineole
1_8_cineole
Eucalyptol, 99%
Eucalyptol, Ph Helv
p-Menthane,8-epoxy-
1,8-Oxido-p-methane
EUCALYPTOL [MI]
WLN: T66 A B AOTJ B1 B1 F1
CINEOLE [INCI]
EUCALYPTOL [FCC]
Spectrum2_000221
Spectrum3_000683
Spectrum4_001747
Spectrum5_000704
EUCALYPTOL [FHFI]
EUCALYPTOL [HPUS]
EUCALYPTOL [HSDB]
EUCALYPTOL [INCI]
CINEOLE [WHO-DD]
EUCALYPTOL [VANDF]
bmse000523
EC 207-431-5
SCHEMBL19622
SCHEMBL41020
BSPBio_002405
KBioGR_002194
MLS001050089
MLS001066338
DivK1c_000333
SPECTRUM1500294
SPBio_000261
Eucalyptol, analytical standard
CHEMBL485259
GTPL2464
CHEMBL1231862
CHEMBL1397305
SCHEMBL13554591
SCHEMBL17836873
SCHEMBL23876132
CHEBI:23243
HMS501A15
KBio1_000333
KBio3_001625
NINDS_000333
P-METHANE, 1,8-EPOXY-
HMS2271P04
Pharmakon1600-01500294
HY-N0066
Tox21_111161
Tox21_202090
Tox21_302902
BDBM50459887
CCG-36080
NSC760388
AKOS015903223
AKOS016034339
AKOS037514637
Tox21_111161_1
CCG-266254
CS-8146
DB03852
LMPR0102090019
NSC-760388
Eucalyptol 1000 microg/mL in Methanol
IDI1_000333
Eucalyptol, tested according to Ph.Eur.
NCGC00091666-02
NCGC00091666-03
NCGC00091666-05
NCGC00095774-01
NCGC00178671-01
NCGC00256479-01
NCGC00259639-01
NCGC00389703-01
AC-20234
Eucalyptol, natural, >=99%, FCC, FG
LS-13868
NCI60_005108
1,3-Trimethyl-2-oxabicyclo[2.2.2]octane
2-Oxa-1,3-trimethylbicyclo[2.2.2]octane
DB-070775
2-Oxabicyclo[2.2.2]octane,3,3-trimethyl-
NS00002794
Rosatra Synergyfor treatment of Acne Rosacea
C09844
D04115
AB01563262_01
Q161572
SR-01000763816
SR-01000763816-2
W-106080
1,8-Cineole, primary pharmaceutical reference standard
1,3,3-TRIMETHYL-2-OXABICYCLO(2.2.2.)OCTANE
Cineole, European Pharmacopoeia (EP) Reference Standard
Eucalyptol, certified reference material, TraceCERT(R)
F0001-1260
Eucalyptol, United States Pharmacopeia (USP) Reference Standard
Eucalyptol (cineole), Pharmaceutical Secondary Standard; Certified Reference Material
InChI=1/C10H18O/c1-9(2)8-4-6-10(3,11-9)7-5-8/h8H,4-7H2,1-3H
Microorganism:

Yes

IUPAC name1,3,3-trimethyl-2-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
Molweight154.25
LogP2.5
Atoms11
Bonds0
H-bond Acceptor1
H-bond Donor0
Chemical Classificationethers terpenes
CHEBI-ID27961
Supernatural-IDSN0407877

mVOC Specific Details

Boiling Point
DegreeReference
176 °C peer reviewed
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

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaHypoxylon AnthochroumNAMacías-Rubalcava et al. 2018
ProkaryotaErwinia Amylovoraenhances Arabidopsis thaliana shoot and root growthbacterial collection of the LabParmagnani et al. 2023
EukaryotaHypoxylon Anthochroumnaendophytic in Bursera lancifoliaUlloa-Benítez et al. 2016
EukaryotaHypoxylon AnthochroumNAShaw et al. 2015
EukaryotaGloeophyllum OdoratumNAKahlos et al. 1994
EukaryotaFistulina HepaticaNAWu et al. 2005
EukaryotaFusarium FujikuroiNABrock et al. 2011
EukaryotaGanoderma Lucidumnasaprophytic on deciduous treesCampos Ziegenbein et al. 2006
EukaryotaAntrodia CinnamomeananaLu et al. 2014
EukaryotaSaccharomyces CerevisiaeNANAHarris et al. 2021
EukaryotaSaccharomyces EubayanusNANAMardones et al. 2022
Meyerozyma GuilliermondiiXiong et al. 2023
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaHypoxylon Anthochroumrice medium (RM, 300g of rice and 300ml of water)SPME, GC-MSyes
ProkaryotaErwinia AmylovoraSBSE/GC-MSno
EukaryotaHypoxylon AnthochroumPDA/WA + 500 mg l^-1 ChloramphenicolSPME-GC/MSyes
EukaryotaHypoxylon Anthochroumno
EukaryotaGloeophyllum Odoratumno
EukaryotaFistulina Hepaticano
EukaryotaFusarium Fujikuroino
EukaryotaGanoderma LucidumnaGC/MSno
EukaryotaAntrodia CinnamomeaPDAGC/MSyes
EukaryotaSaccharomyces Cerevisiaemalt extract brothHS-SPME with GC-MSno
EukaryotaSaccharomyces EubayanusYPD agar media (yeast extract 1%, peptone 2%, glucose 2% and agar 2%)HS‐SPME‐GC‐MSno
Meyerozyma GuilliermondiiYEPD, 10 g/L yeast extrac, 20 g/L peptone, 20 g dextroseGC-MS and GC-IMSno


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

Mass-Spectra

Compound Details

Synonymous names
Angelic acid
565-63-9
2-Methylisocrotonic acid
cis-2-Methyl-2-butenoic acid
(Z)-2-methylbut-2-enoic acid
(2Z)-2-methylbut-2-enoic acid
2-Butenoic acid, 2-methyl-, (Z)-
2-butenoic acid, 2-methyl-, (2Z)-
2-methyl-2Z-butenoic acid
Angelicasaeure
Angelikasaeure
acide angelique
acido angelico
(Z)-2-Methyl-2-butenoic Acid
(Z)-2-methylcrotonic acid
cis-2-dimethylcrotonic acid
Crotonic acid, 2-methyl-, (Z)-
UNII-54U4ZPB36F
alpha-methyl isocrotonic acid
54U4ZPB36F
CHEBI:36431
Z-2-methylcrotonic acid
EINECS 209-284-2
NSC 96885
NSC-96885
alpha-methylisocrotonic acid
Z-2-methyl-2-butenoic acid
cis-2,3-dimethylacrylic acid
2-Methyl-2-butenoic acid, cis
2,3-DIMETHYLACRYLIC ACID, (Z)-
Angelikasaure
MFCD00002654
(2Z)-2-Methyl-2-butenoic acid
13201-46-2
ANGELICACID
CEVADINE_met021
ANGELIC ACID [MI]
2-methyl-cis-crotonic acid
2-Methyl-(Z)-Crotonic acid
CHEMBL55941
SCHEMBL133954
(z)-2,3-dimethylacrylic acid
2-Methyl-(Z)-2-Butenoic acid
(Z) CH3CH=C(CH3)COOH
DTXSID80897430
2-Methyl-(2Z)-2-butenoic acid
cis-alpha,beta-dimethylacrylic acid
AMY19230
BCP28215
HY-N6929
NSC96885
BBL012257
LMFA01020029
s3803
STL163578
2-Butenoic acid,2-methyl-, (2Z)-
AKOS003662964
CCG-266029
CS-W009553
AC-30733
VS-03252
Crotonic acid, 2-methyl-, (Z)- (8CI)
DB-007259
A1136
NS00080021
CIS-.ALPHA.,.BETA.-DIMETHYLACRYLIC ACID
A869906
Q903353
Q-201832
Microorganism:

No

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
Molweight100.12
LogP1
Atoms7
Bonds1
H-bond Acceptor2
H-bond Donor1
Chemical Classificationacids carboxylic acids organic acids
CHEBI-ID36431
Supernatural-IDSN0371153-01

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaFistulina HepaticaNAWu et al. 2005
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaFistulina Hepaticano


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

Mass-Spectra

Compound Details

Synonymous names
TIGLIC ACID
80-59-1
Tiglinic acid
Cevadic acid
trans-2,3-Dimethylacrylic acid
2-methylbut-2-enoic acid
(E)-2-Methylbut-2-enoic acid
trans-2-Methyl-2-butenoic acid
(E)-2-Methyl-2-butenoic acid
2-Methyl-2-butenoic acid
trans-2-Methylcrotonic acid
(E)-2,3-Dimethylacrylic acid
(E)-2-Methylcrotonic acid
Crotonic acid, 2-methyl-, (E)-
2-Butenoic acid, 2-methyl-, (2E)-
tiglate
(2E)-2-methylbut-2-enoic acid
2,3-Dimethylacrylic acid, (E)-
alpha-Methylcrotonic acid
FEMA No. 3599
trans-alpha,beta-Dimethylacrylic acid
13201-46-2
2-Butenoic acid, 2-methyl-, (E)-
2-Methylcrotonic acid
NSC 44235
Tiglinsaeure
alpha-Methylcrotonic acid, (E)-
2-Methyl-2-butenoic acid, (E)-
EINECS 201-295-0
(E)-2-methyl-Crotonic acid
UNII-I5792N03HC
BRN 1236500
CHEBI:9592
AI3-36118
HSDB 7614
methyl methacrylic acid
I5792N03HC
NSC-8999
2,3-Dimethylacrylic acid
MFCD00066864
NSC-44235
2-methyl-2E-butenoic acid
trans-.alpha.,.beta.-Dimethylacrylic acid
2-methyl-(E)-2-butenoic acid
alpha,beta-dimethyl acrylic acid
E)-2-METHYLCROTONIC ACID
NSC8999
4-02-00-01552 (Beilstein Handbook Reference)
NSC44235
2-METHYLBUT-2-ENOIC ACID, (E)-
METHYL-2-BUTENOIC ACID, TRANS-2-
sabadillic acid
2-Butenoic acid,2-methyl-
Cevadate
Tiglinate
epsilon-Tiglate
E-Tiglate
Methylbutenoicacid
E-Tiglic acid
(2E)-2-Methyl-2-butenoic acid
2-methyl-Crotonate
epsilon-Tiglic acid
EINECS 236-167-3
methyl crotonic acid
methylmethacrylic acid
2,3-Dimethylacrylate
2-methyl-2-butenoate
Tiglic acid, (E)-
2-Methylbut-2-enoate
2-methyl-Crotonic acid
trans-2-Methylcrotonate
(E)-2-Methylcrotonate
2-methylbut-2-enoicacid
(E)-2-methyl-Crotonate
alpha-methyl-crotonic acid
TIGLIC ACID [MI]
trans-2,3-Dimethylacrylic acid (Tiglic acid)
bmse000727
TIGLIC ACID [HSDB]
trans-2,3-Dimethylacrylate
(E)-2,3-Dimethylacrylate
2-methyl-(E)-2-butenoate
trans-2-Methyl-2-butenoate
(E)-2-methyl-2-Butenoate
SCHEMBL15042
CHEMBL52416
(2E)-2-Methyl-2-butenoate
GTPL6499
trans-Crotonic acid, 2-methyl-
CHEBI:36432
trans-alpha,beta-Dimethylacrylate
DTXSID80883257
trans-2-methyl-but-2-enoic acid
BCP18945
(2E)-2-Methyl-2-butenoic acid #
LMFA01020030
s3789
AKOS003375681
CCG-266028
CS-W013715
HY-W012999
trans-2,3-Dimethylacrylic acid, 98%
(E)-.ALPHA.-METHYLCROTONIC ACID
NCGC00648718-02
LS-13047
CS-0356606
NS00009823
T0246
EN300-83150
C08279
D78012
EN300-370249
TRANS-2-METHYL-2-BUTENOIC ACID [FHFI]
trans-2-Methyl-2-butenoic acid, >=99%, FG
A839954
Q425475
Q27116830
F0001-2086
Z1205493556
trans-2-Methylcrotonic acid = trans-2-Methyl-2-butenoate
trans-2-Methylcrotonic acid = trans-2-Methyl-2-butenoic acid
trans-2-Methylcrotonic acid = trans-2-Methyl-2-butenoic acid = Tiglinate
alpha,beta-dimethyl acrylic acid; 2-Methyl-2-butenoic acid; (E)-2-methyl-Crotonic acid
trans-2-Methylcrotonic acid = trans-2-Methyl-2-butenoic acid = Tiglinic acid
Microorganism:

Yes

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
Molweight100.12
LogP1
Atoms7
Bonds1
H-bond Acceptor2
H-bond Donor1
Chemical Classificationacids carboxylic acids organic acids
CHEBI-ID9592
Supernatural-IDSN0371153-02

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
Massbank-Links

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaFistulina HepaticaNAWu et al. 2005
Bacillus CereusKoilybayeva et al. 2023
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaFistulina Hepaticano
Bacillus Cereusbacteriological agar (BA, 15 g/L), gelatin peptone (GP, 5 g/L), and meat extract (ME, 3 g/L)GC–MSno


2-methylpentanoic Acid

Mass-Spectra

Compound Details

Synonymous names
2-Methylpentanoic acid
2-METHYLVALERIC ACID
97-61-0
Pentanoic acid, 2-methyl-
2-Pentanecarboxylic acid
Valeric acid, 2-methyl-
Methylpropylacetic acid
2-methyl valeric acid
alpha-Methylvaleric acid
FEMA No. 2754
2-methyl-pentanoic acid
Kyselina 2-methylvalerova
2-Methyl-n-valeric acid
22160-39-0
.alpha.-Methylvaleric acid
DTXSID9021633
26A19CG6J9
NSC-8406
Pentanoic acid, methyl-
Kyselina 2-methylvalerova [Czech]
NSC 8406
EINECS 202-594-9
2-METHYLVALERICACID
BRN 1720655
UNII-26A19CG6J9
AI3-26042
27936-41-0
(2S)-2-methylpentanoate
EC 202-594-9
n-C3H7CH(CH3)COOH
racemic 2-methylvaleric acid
2-Methylvaleric acid, 98%
4-02-00-00942 (Beilstein Handbook Reference)
SCHEMBL148477
(+/-)-2-Methylvaleric acid
DTXCID401633
(+/-)-2-methylpentanoic acid
(2RS)-2-Methylpentanoic Acid
CHEMBL1204680
WLN: QVY3 & 1
FEMA 2754
DL-2-METHYLPENTANOIC ACID
NSC8406
CHEBI:167644
2-METHYLVALERIC ACID [FHFI]
Tox21_200935
LMFA01020074
MFCD00002671
s3314
2-METHYLPENTANOIC ACID [FCC]
(+-)-2-METHYLPENTANOIC ACID
AKOS000120958
AKOS016843863
CS-W011232
HY-W010516
MCULE-7779384365
SB47595
CAS-97-61-0
NCGC00248880-01
NCGC00258489-01
LS-13176
PD144384
2-Methylpentanoic acid, >=98%, FCC, FG
M0610
NS00008520
EN300-20163
D78086
VALPROIC ACID IMPURITY L [EP IMPURITY]
A845729
W-100103
Q27254086
Z104477112
Microorganism:

No

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
LogP1.8
Atoms8
Bonds3
H-bond Acceptor2
H-bond Donor1
Chemical Classificationacids carboxylic acids organic acids
CHEBI-ID167644
Supernatural-IDSN0276004

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaFistulina HepaticaNAWu et al. 2005
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaFistulina Hepaticano


6-pentylpyran-2-one

Mass-Spectra

Compound Details

Synonymous names
6-Pentyl-2H-pyran-2-one
27593-23-3
6-Amyl-alpha-pyrone
6-Pentyl-2-pyrone
6-pentylpyran-2-one
2H-Pyran-2-one, 6-pentyl-
6-Amyl-2-pyrone
6-PENTYL-ALPHA-PYRONE
6-Amyl-A-pyrone
6-Amyl-.alpha.-pyrone
FEMA No. 3696
2-Pyrone, 6-pentyl
6-pentyl-pyran-2-one
5-Hydroxy-2,4-decadienoic acid delta-lactone
6-n-pentyl-alpha-pyrone
8JTW8HL4PJ
DTXSID0047589
CHEBI:66729
NSC-721361
5-hydroxy-2,4-decadienoic acid gamma-lactone
UNII-8JTW8HL4PJ
6-amyl-?-pyrone
6-pentyl-a-pyrone
EINECS 248-552-3
NSC721361
6-Amyl-alpha -pyrone
6-Pentyl-alpha -pyrone
2,4-Decadien-5-olide
6-N-Amyl alpha -pyrone
6-Pentyl-.alpha.-pyrone
alpha -Pyrone, 6-pentyl
6-N-Amyl .alpha.-pyrone
Pyran-2-one, 6-pentyl-
.alpha.-Pyrone, 6-pentyl
6-n-pentyl-2h-pyran-2-one
SCHEMBL968257
CHEMBL503899
DTXCID8027589
FEMA 3696
Tox21_302570
MFCD00047551
6-Amyl-alpha-pyrone, >=96%, FG
AKOS015839660
MCULE-5618749422
NSC 721361
NCGC00256764-01
AS-58448
NCI60_041518
5-Hydroxy-2,4-decadienoic acid D-lactone
CAS-27593-23-3
DB-047250
NS00021098
T70705
Q27135350
5-HYDROXY-2,4-DECADIENOIC ACID .DELTA.-LACTONE
5-HYDROXY-2,4-DECADIENOIC ACID .DELTA.-LACTONE [FHFI]
2,4-DECADIENOIC ACID, 5-HYDROXY-3-METHYL-, .DELTA.-LACTONE
Microorganism:

No

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
LogP3
Atoms12
Bonds4
H-bond Acceptor2
H-bond Donor0
Chemical Classificationlactones heterocyclic compounds pyranones esters
CHEBI-ID66729
Supernatural-IDSN0220609

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaTrichoderma Asperellumrhizosphere of maize cultivated in Ismailia,EgyptKottb et al. 2015
EukaryotaTrichoderma Asperellumvirulence against Tetranychus urticae Koch (spider mite)isolated from the rhizosphere of Zea mays at Ismailia, EgyptSholla & Kottb 2017
EukaryotaTrichoderma VirideNAMoisan et al. 2021
EukaryotaTrichoderma Asperellumreduce downy mildew severity on Vitis vinifera (grapevine plants)Cotxarrera et al., 2002Lazazzara et al. 2021
EukaryotaTrichoderma Atroviridereduce downy mildew severity on Vitis vinifera (grapevine plants)Pertot et al., 2008Lazazzara et al. 2021
EukaryotaTrichoderma Harzianumreduce downy mildew severity on Vitis vinifera (grapevine plants)Eladet al., 1997Lazazzara et al. 2021
EukaryotaTrichoderma Reesein/aNACrutcher et al. 2013
EukaryotaTrichoderma Atroviriden/aNAStoppacher et al. 2010
EukaryotaTrichoderma Atroviridenawater damaged buildings, BelgiumPolizzi et al. 2012
EukaryotaTrichoderma VirideNACollinsand Halim 1972
EukaryotaTrichoderma Sp.NADickschat 2017
EukaryotaGloeosporium Sp.NASchaible et al. 2015
EukaryotaAspergillus Sp.NAKikuchi et al. 1974
EukaryotaFusarium SolaniNANago et al. 1993
EukaryotaFistulina HepaticaNAWu et al. 2005
EukaryotaTrichoderma Virensn/aNACrutcher et al. 2013
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaTrichoderma Asperellumnutrient broth agarSuper Q / GC/MSyes
EukaryotaTrichoderma Asperellumbroth mediaGC-MSyes
EukaryotaTrichoderma Viride1/5th PDA mediumGC-MSno
EukaryotaTrichoderma AsperellumPDA mediaHS-SPME/GC-MSyes
EukaryotaTrichoderma AtroviridePDA mediaHS-SPME/GC-MSyes
EukaryotaTrichoderma HarzianumPDA mediaHS-SPME/GC-MSyes
EukaryotaTrichoderma ReeseiPotato dextrose agarHS-SPME/GC-MS no
EukaryotaTrichoderma AtroviridePotato dextrose agarHS-SPME/GC-MS no
EukaryotaTrichoderma Atroviridemalt extract agar; potato dextrose agar; water agar; yeast extract agar; Czapek agarSPME-GC/MSno
EukaryotaTrichoderma Virideno
EukaryotaTrichoderma Sp.no
EukaryotaGloeosporium Sp.no
EukaryotaAspergillus Sp.no
EukaryotaFusarium Solanino
EukaryotaFistulina Hepaticano
EukaryotaTrichoderma VirensPotato dextrose agarHS-SPME/GC-MS no


Methyl Octadeca-9,12-dienoate

Compound Details

Synonymous names
Methyl octadeca-9,12-dienoate
(9Z,12Z)-Methyl octadeca-9,12-dienoate
Methyl 9,12-octadecadienoate
9,12-Octadecadienoic acid, methyl ester
Methyl (9Z,12Z)-9,12-octadecadienoate
9,12-octadecadienoic acid methyl ester
DTXSID80859199
WTTJVINHCBCLGX-UHFFFAOYSA-N
9,12-Octadecenoic acid, methyl ester
MCULE-4399438587
SY049828
DB-041105
NS00082189
Microorganism:

No

IUPAC namemethyl octadeca-9,12-dienoate
SMILESCCCCCC=CCC=CCCCCCCCC(=O)OC
InchiInChI=1S/C19H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h7-8,10-11H,3-6,9,12-18H2,1-2H3
FormulaC19H34O2
PubChem ID8203
Molweight294.5
LogP6.9
Atoms21
Bonds15
H-bond Acceptor2
H-bond Donor0
Chemical Classificationalkenes esters
Supernatural-IDSN0419797

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaFistulina Hepatican/aoak trees (October 2003 from Wisent Park, Springe)Wu et al. 2005
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaFistulina Hepatican/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).no


Oct-1-en-3-ol

Mass-Spectra

Compound Details

Synonymous names
1-OCTEN-3-OL
3391-86-4
Oct-1-en-3-ol
1-Vinylhexanol
Vinyl amyl carbinol
3-Hydroxy-1-octene
Amyl vinyl carbinol
Mushroom alcohol
Pentyl vinyl carbinol
Octen-3-ol
Matsuica alcohol
Vinyl hexanol
Pentylvinylcarbinol
octene-1-ol-3
Oct-1-ene-3-ol
(+/-)-1-octen-3-ol
Matsutake alcohol
1-Okten-3-ol
FEMA No. 2805
n-Oct-1-en-3-ol
NSC 87563
(R)-1-octen-3-ol
WXB511GE38
DTXSID3035214
CHEBI:34118
MFCD00004589
NSC-87563
Amylvinylcarbinol
Morrilol
1-Okten-3-ol [Czech]
1-Octen-3-ol (natural)
Matsutake alcohol [Japanese]
1-Octene-3-ol
dl-1-Octen-3-ol
EINECS 222-226-0
EPA Pesticide Chemical Code 069037
BRN 1744110
UNII-WXB511GE38
Morillol
AI3-28627
CCRIS 8804
Matsuika alcohol
MOGUCHUN
Vinyl pentyl carbinol
(E)-1-octen-3-ol
Flowtron mosquito attractant
SCHEMBL41968
1-Octen-3-ol, 98%
WLN: QY5&1U1
CHEMBL3183573
DTXCID1015214
1-OCTEN-3-OL [FCC]
1-OCTEN-3-OL [FHFI]
1-Octen-3-ol, analytical standard
BCP19092
NSC87563
Tox21_302039
LMFA05000090
LMFA05000712
AKOS009157412
CS-W011126
DS-8600
NCGC00255686-01
1-Octen-3-ol, >=98%, FCC, FG
1-Octen-3-ol, natural, >=95%, FG
PD042153
CAS-3391-86-4
DB-003193
NS00004677
O0159
1-Octen-3-ol stabilized with alpha-tocopherol
4-(Trifluoromethyl)-2-biphenyl-carboxylic acid
D91822
EN300-6981750
A821997
Q161667
Q-100412
Microorganism:

Yes

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
Molweight128.21
LogP2.6
Atoms9
Bonds5
H-bond Acceptor1
H-bond Donor1
Chemical Classificationalcohols
CHEBI-ID34118
Supernatural-IDSN0398887

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaAspergillus FumigatusNANAHeddergott et al. 2014
EukaryotaAspergillus NigerNANACosta et al. 2016
EukaryotaCandida AlbicansNANACosta et al. 2016
EukaryotaPenicillium ChrysogenumNANACosta et al. 2016
ProkaryotaLactobacillus PlantarumNAYang et al. 2022
EukaryotaAspergillus Versicolorwild strainsSchleibinger et al. 2005
EukaryotaChaetomium Globosumwild strainsSchleibinger et al. 2005
EukaryotaEurotium Amstelodamiwild strainsSchleibinger et al. 2005
EukaryotaPenicillium Brevicompactumwild strainsSchleibinger et al. 2005
EukaryotaFusarium CulmorumNASchmidt et al. 2018
EukaryotaAspergillus ClavatusNADickschat et al. 2018
EukaryotaAspergillus FischeriNADickschat et al. 2018
EukaryotaFusarium Acuminatumroots of two species of the Brassicaceae family Microthlaspi perfoliatum and Microthlaspi erraticumSchenkel et al. 2018
EukaryotaFusarium Oxysporumroots of two species of the Brassicaceae family Microthlaspi perfoliatum and Microthlaspi erraticumSchenkel et al. 2018
EukaryotaTrichoderma Harzianum0NALi et al. 2018
EukaryotaTrichoderma Virens0NALi et al. 2018
EukaryotaFomes Fomentarius160-year-old beech forest,51°46´N 9°34´E,Solling,low mountain range,central GermanyHolighaus et al. 2014
EukaryotaTrichoderma HarzianumNALi et al. 2018
EukaryotaTrichoderma VirensNALi et al. 2018
EukaryotaAgaricus Bisporusculture collection,Mushroom Test and Demonstration Facility (MTDF),Pennsylvania State University CampusMau et al. 1992
EukaryotaPenicillium GlabrumNASchnürer et al. 1999
EukaryotaPenicillium VerrucosumNASchnürer et al. 1999
EukaryotaFusarium VerticillioidesNAUsseglio et al. 2017
ProkaryotaPaenibacillus PolymyxaNAMülner et al. 2021
EukaryotaCandida AlbicansATCC MYA-2876, American Type Culture CollectionCosta et al. 2020
EukaryotaCandida GlabrataATCC 90030, American Type Culture CollectionCosta et al. 2020
EukaryotaCandida TropicalisATCC 750, American Type Culture CollectionCosta et al. 2020
EukaryotaRhizoctonia Solanidirectional root growth of Brassica rapa rootsNAMoisan et al. 2021
EukaryotaChaetomium IndicumNAMoisan et al. 2021
EukaryotaTrichoderma VirideNAMoisan et al. 2021
EukaryotaTuber Magnatumcollected from natural truffle orchards in Istria (Croatia) during one truffle season (October 2018–January 2019)Niimi et al. 2021
EukaryotaTuber Magnatumcollected from natural truffle orchards in Baranya (Hungary) during one truffle season (October 2018–January 2019)Niimi et al. 2021
EukaryotaTuber Magnatumcollected from natural truffle orchards in Somogy (Hungary) during one truffle season (October 2018–January 2019)Niimi et al. 2021
EukaryotaTuber Magnatumcollected from natural truffle orchards in Abruzzo (Italy) during one truffle season (October 2018–January 2019)Niimi et al. 2021
EukaryotaTuber Magnatumcollected from natural truffle orchards in Kalubara (Serbia) during one truffle season (October 2018–January 2019)Niimi et al. 2021
EukaryotaTuber Magnatumcollected from natural truffle orchards in Srem (Serbia) during one truffle season (October 2018–January 2019)Niimi et al. 2021
EukaryotaChromera VeliaCulture Collection of Algae and Protozoa (CCAP) at the SAMS Limited Scottish Marine Institute (Oban, Argyll, Scotland, UK)Koteska et al. 2023
EukaryotaAspergillus Flavusn/aNAStotzky and Schenck 1976
EukaryotaPenicillium Aurantiogriseumn/aNABörjesson et al. 1990
ProkaryotaSerratia Proteamaculansn/aNAErcolini et al. 2009
ProkaryotaCarnobacterium Divergensn/aNAErcolini et al. 2009
ProkaryotaPseudomonas Fragin/aNAErcolini et al. 2009
ProkaryotaCyanobacteria Sp.n/aNAHoeckelmann et al. 2004
ProkaryotaRivularia Sp./Calothrix Parietinan/aNAHoeckelmann et al. 2004
EukaryotaTuber Indicumn/aNASplivallo et al. 2007
EukaryotaTuber Melanosporumn/aNASplivallo et al. 2007
EukaryotaTuber Excavatumn/aFortywoodland of the Basilicata regionMauriello et al. 2004
EukaryotaTuber Brumalen/aFortywoodland of the Basilicata regionMauriello et al. 2004
EukaryotaTuber Aestivumn/aAgricultural Centre of Castilla and León Community (Monasterio de la Santa Espina, Valladolid, Spain) and Navaleno (Soria, Spain).Diaz et al. 2003
EukaryotaTuber Uncinatumn/aFrance, Italy, Switzerland, the UK, Austria, Romania, and HungarySplivallo et al. 2012
EukaryotaTuber BorchiiInhibit the development of Arabidopsis thaliana and modify its oxidative metabolismNASplivallo et al. 2007
EukaryotaNeurospora Sp.n/aNAPastore  et al. 1994
EukaryotaPenicillium Paneumn/aNAChitarra et al. 2004
EukaryotaAspergillus Nigern/aNAMeruva et al. 2004
EukaryotaRhizopus Stolonifern/aNAMeruva et al. 2004
EukaryotaPholiota Squarrosan/aNAMueller et al. 2013
EukaryotaAgaricus Bisporusn/aNABerendsen et al. 2013
EukaryotaAscocoryne Sarcoidesn/aNAMallette et al.  2012
EukaryotaNeurospora Sitophilan/aNAPastore et al. 1994
EukaryotaLaccaria Bicolorn/aNAMueller et al. 2013
EukaryotaPaxillus Involutusn/aNAMueller et al. 2013
EukaryotaArmillaria Mellean/aNAMueller et al. 2013
EukaryotaVerticillium Longisporumn/aNAMueller et al. 2013
EukaryotaStropharia Rugosoannulatan/aNAMueller et al. 2013
EukaryotaTrichoderma Viriden/aNAMueller et al. 2013
EukaryotaAspergillus Flavusn/aNABeck et al. 2012
EukaryotaAspergillus Parasiticusn/aNABeck et al. 2012
EukaryotaAspergillus Nigern/aNABeck et al. 2012
EukaryotaPenicillium Glabrumn/aNABeck et al. 2012
EukaryotaRhizopus Stolonifern/aNABeck et al. 2012
EukaryotaAspergillus Ornatusn/aNAMeruva et al. 2004
EukaryotaPenicillium Chrysogenumn/aNAMeruva et al. 2004
EukaryotaTrichoderma Virensn/aNACrutcher et al. 2013
EukaryotaTrichoderma Atroviriden/aNACrutcher et al. 2013
EukaryotaTrichoderma Reesein/aNACrutcher et al. 2013
EukaryotaTrichoderma Atroviriden/aNAStoppacher et al. 2010
EukaryotaAspergillus Candiduscompost Fischer et al. 1999
EukaryotaAspergillus Versicolorcompost Fischer et al. 1999
EukaryotaEmericella Nidulanscompost Fischer et al. 1999
EukaryotaPenicillium Brevicompactumcompost Fischer et al. 1999
EukaryotaCoriolus Versicolorcolonized beetleGuevara et al. 2000
EukaryotaGanoderma Adspersumcolonized beetleGuevara et al. 2000
EukaryotaMortierella Isabellinamor horizon of a spruce forest soil southeastern SwedenBengtsson et al. 1991
EukaryotaTricholoma MatsutakeNAMurahashi S. 1938
EukaryotaPleurotus OstreatusNABeltran-Garcia et al. 1997
EukaryotaLentinus EdodesNAZawirksa-Wojtasiak 2004
EukaryotaBoletus EdulisNAZawirksa-Wojtasiak 2004
EukaryotaTuber IndicumPiedmont northern Italy; Yunnan and Sichuan, ChinaSplivallo et al. 2007
EukaryotaFistulina HepaticaNAWu et al. 2005
EukaryotaFomes FomentariusNAFäldt et al. 1999
EukaryotaAspergillus FlavusJapan Collection of Microorganisms at Riken Bioresource CenterMiyamoto et al. 2014
EukaryotaPenicillium Sp.NAKaminski et al. 1974
EukaryotaFusarium Sp.NASavel’eva et al. 2014
EukaryotaVerticillium Sp.NABengtsson et al. 1991
EukaryotaTrichoderma Sp.NANemcovic et al. 2008
EukaryotaPenicillium PolonicumNAPolizzi et al. 2012
EukaryotaAspergillus UstusNAPolizzi et al. 2012
EukaryotaAspergillus Versicolornadamp indoor environments, food productsSunesson et al. 1995
EukaryotaPhialophora FastigiatananaSunesson et al. 1995
EukaryotaPiptoporus BetulinusnaSachsenwald near HamburgRösecke et al. 2000
EukaryotaFomitopsis PinicolanaGermanyRösecke et al. 2000
EukaryotaGloeophyllum OdoratumnaSachsenwald near HamburgRösecke et al. 2000
EukaryotaTrametes Suaveolensnanear Zachersmühle, Göppingen, southern GermanyRösecke et al. 2000
EukaryotaPleurotus EryngiinanaUsami et al. 2014
EukaryotaPleurotus CystidiosusnanaUsami et al. 2014
EukaryotaAspergillus SydowiinanaSteiner et al. 2007
EukaryotaAspergillus VersicolornanaSteiner et al. 2007
EukaryotaPenicillium Sp.n/aNABjurman et al. 1997
EukaryotaTuber BorchiiAroma active compound in Tuber melanosporum, Tuber aestivum syn Tuber uncinatum, Tuber himalayense, Tuber indicum and Tuber sinensenaSplivallo and Ebeler 2015
EukaryotaFusarium Graminearumn/aNABusko et al. 2014
EukaryotaPenicillium ChrysogenumNoneNoneMeruva et al. 2004
EukaryotaRhizoctonia Solanicollection of the Sugar Beet Research Institute, Bergen op Zoom, The NetherlandsCordovez et al. 2017
EukaryotaAgaricus BisporusSylvan, UKCombet et al. 2009
ProkaryotaLentilactobacillus BuchneriNANASquara et al. 2022
ProkaryotaLacticaseibacillus ParacaseiNANASquara et al. 2022
EukaryotaPichia MembranifaciensNANAMozūraitis et al. 2022
EukaryotaBrettanomyces BruxellensisNANATran et al. 2022
EukaryotaHanseniaspora ValbyensisNANATran et al. 2022
EukaryotaPhytophthora CinnamomiN/APhytophthora cinnamomiQiu R et al. 2014
EukaryotaPhytophthora CactorumN/APhytophthora cactorum Loulier et al. 2020
EukaryotaPhytophthora CinnamomiN/APhytophthora cinnamomiLoulier et al. 2020
EukaryotaPhytophthora RamorumN/APhytophthora ramorumLoulier et al. 2020
Lentinula EdodesGeng et al. 2024
MicrobacteriumBallot et al. 2023
Pediococcus AcidilacticiMockus et al. 2024
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaAspergillus FumigatusBrian aeratedSPME/GC-MSno
EukaryotaAspergillus NigerYeast Glucose ChloramphenicolSPME/GCxGC-MSno
EukaryotaCandida AlbicansYeast Glucose ChloramphenicolSPME/GCxGC-MSno
EukaryotaPenicillium ChrysogenumYeast Glucose ChloramphenicolSPME/GCxGC-MSno
ProkaryotaLactobacillus Plantarumginkgo biloba kernel juicetriple quadrupole GC-MSno
EukaryotaAspergillus Versicoloringrain (woodchip)SIM/GCMS / Tenaxno
EukaryotaChaetomium Globosumingrain (woodchip)SIM/GCMS / Tenaxno
EukaryotaEurotium Amstelodamiingrain (woodchip)SIM/GCMS / Tenaxno
EukaryotaPenicillium Brevicompactumingrain (woodchip)SIM/GCMS / Tenaxno
EukaryotaFusarium CulmorumKing`s B agarUPLC-MSno
EukaryotaAspergillus Clavatusmedium 129CLSA-GCMSno
EukaryotaAspergillus Fischerimedium 129CLSA-GCMSno
EukaryotaFusarium AcuminatumMalt extractSPME, GC-MSno
EukaryotaFusarium OxysporumMalt extractSPME, GC-MSno
EukaryotaTrichoderma HarzianumPDA plateSPME-GC-MSno
EukaryotaTrichoderma VirensPDA plateSPME-GC-MSno
EukaryotaFomes FomentariusGC-MS (SIM)yes
EukaryotaTrichoderma Harzianumpotato dextrose agarSPME, GC-MSno
EukaryotaTrichoderma Virenspotato dextrose agarSPME, GC-MSno
EukaryotaAgaricus Bisporustraditional horse manure-based compostGCyes
EukaryotaPenicillium Glabrummalt extract agar with 0.5-1.0% acetic acidTenaxGC,Chromosorb,HS-SPME, GC-MSno
EukaryotaPenicillium Verrucosummalt extract agar with 0.5-1.0% acetic acidTenaxGC,Chromosorb,HS-SPME, GC-MSno
EukaryotaFusarium VerticillioidesCzapek-dox agarSPME, GC-MSyes
ProkaryotaPaenibacillus PolymyxaTSA mediaHS-SPME/GC-MSno
EukaryotaCandida AlbicansYGC mediaHS-SPME/GC-GC-ToFMSno
EukaryotaCandida GlabrataYGC mediaHS-SPME/GC-GC-ToFMSno
EukaryotaCandida TropicalisYGC mediaHS-SPME/GC-GC-ToFMSno
EukaryotaRhizoctonia Solani1/5th PDA mediumGC-MSno
EukaryotaChaetomium Indicum1/5th PDA mediumGC-MSno
EukaryotaTrichoderma Viride1/5th PDA mediumGC-MSno
EukaryotaTuber MagnatumGC-MS-Ono
EukaryotaChromera Veliaseawater media L1OSSA/GC-MSno
EukaryotaAspergillus Flavusn/an/ano
EukaryotaPenicillium Aurantiogriseumn/an/ano
ProkaryotaSerratia Proteamaculansn/an/ano
ProkaryotaCarnobacterium Divergensn/an/ano
ProkaryotaPseudomonas Fragin/an/ano
ProkaryotaCyanobacteria Sp.n/an/ano
ProkaryotaRivularia Sp./Calothrix Parietinan/an/ano
EukaryotaTuber Indicumn/an/ano
EukaryotaTuber Melanosporumn/an/ano
EukaryotaTuber Excavatumn/amicroextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)no
EukaryotaTuber Brumalen/amicroextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)no
EukaryotaTuber Aestivumn/an/ano
EukaryotaTuber Uncinatumn/aSPME-GC-MSno
EukaryotaTuber Borchiin/an/ano
EukaryotaNeurospora Sp.potato dextrose agardynamic headspace/gas chromatographyno
EukaryotaPenicillium PaneumMalt extract mediumHeadspace analysis using a Fisons Instruments autosampler HS 800 (Interscience, Breda, The Netherlands) GC/MS.no
EukaryotaAspergillus NigerPotato dextrose agar and tobacco products.Closedloop stripping analysis and GC/TOF-MS.no
EukaryotaRhizopus StoloniferPotato dextrose agar and tobacco products.Closedloop stripping analysis and GC/TOF-MS.no
EukaryotaPholiota SquarrosaMelin-Nor krans synthetic medium (modified)Headspace trapping ( using stir bar sorptive extraction )/ GC-MSno
EukaryotaAgaricus Bisporusno
EukaryotaAscocoryne SarcoidesMinimal mediumPTR-MS and SPME GC-MSno
EukaryotaNeurospora SitophilaMalt extractHeadspace/gas chromatographyno
EukaryotaLaccaria BicolorMelin-Nor krans synthetic medium (modified)Headspace trapping ( using stir bar sorptive extraction )/ GC-MSno
EukaryotaPaxillus InvolutusMelin-Nor krans synthetic medium (modified)Headspace trapping ( using stir bar sorptive extraction )/ GC-MSno
EukaryotaArmillaria MelleaMelin-Nor krans synthetic medium (modified)Headspace trapping ( using stir bar sorptive extraction )/ GC-MSno
EukaryotaVerticillium LongisporumMelin-Nor krans synthetic medium (modified)Headspace trapping ( using stir bar sorptive extraction )/ GC-MSno
EukaryotaStropharia RugosoannulataMelin-Nor krans synthetic medium (modified)Headspace trapping ( using stir bar sorptive extraction )/ GC-MSno
EukaryotaTrichoderma VirideMelin-Nor krans synthetic medium (modified)Headspace trapping ( using stir bar sorptive extraction )/ GC-MSno
EukaryotaAspergillus Flavuspotato dextrose agar and Polyunsaturated Fatty AcidsSPME/ GC-MSno
EukaryotaAspergillus Parasiticuspotato dextrose agar and Polyunsaturated Fatty AcidsSPME/ GC-MSno
EukaryotaAspergillus Nigerpotato dextrose agar and Polyunsaturated Fatty AcidsSPME/ GC-MSno
EukaryotaPenicillium Glabrumpotato dextrose agar and Polyunsaturated Fatty AcidsSPME/ GC-MSno
EukaryotaRhizopus Stoloniferpotato dextrose agar and Polyunsaturated Fatty AcidsSPME/ GC-MSno
EukaryotaAspergillus OrnatusPotato dextrose agar and tobacco products.Closedloop stripping analysis and GC/TOF-MS.no
EukaryotaPenicillium ChrysogenumPotato dextrose agar and tobacco products.Closedloop stripping analysis and GC/TOF-MS.no
EukaryotaTrichoderma VirensPotato dextrose agarHS-SPME/GC-MS no
EukaryotaTrichoderma AtroviridePotato dextrose agarHS-SPME/GC-MS no
EukaryotaTrichoderma ReeseiPotato dextrose agarHS-SPME/GC-MS no
EukaryotaAspergillus Candidusyest extract sucroseTenax/GC-MSno
EukaryotaAspergillus Versicoloryest extract sucroseTenax/GC-MSno
EukaryotaEmericella Nidulansyest extract sucroseTenax/GC-MSno
EukaryotaPenicillium Brevicompactumyest extract sucroseTenax/GC-MSno
EukaryotaCoriolus Versicolorsteam destillation, GC-MSno
EukaryotaGanoderma Adspersumsteam destillation, GC-Mno
EukaryotaMortierella Isabellinamalt extact agardiethyl extraction, GC-MSno
EukaryotaTricholoma Matsutakeno
EukaryotaPleurotus Ostreatusno
EukaryotaLentinus Edodesno
EukaryotaBoletus Edulisno
EukaryotaTuber IndicumGC-MSyes
EukaryotaFistulina HepaticaHRGC-MS,; DB5;ZB Waxno
EukaryotaFomes Fomentariusno
EukaryotaAspergillus Flavusglucose minimal mediumSPME; GC-MSno
EukaryotaPenicillium Sp.gas-liquid chromatographyno
EukaryotaFusarium Sp.no
EukaryotaVerticillium Sp.no
EukaryotaTrichoderma Sp.no
EukaryotaPenicillium Polonicummalt extract agar (MEA), wallpaper, plasterboardSPME/GC-MS no
EukaryotaAspergillus Ustusmalt extract agar (MEA), wallpaper, plasterboardSPME/GC-MS no
EukaryotaAspergillus VersicolorDG18GC/MSno
EukaryotaPhialophora FastigiataDG18GC/MSno
EukaryotaPiptoporus BetulinusnaGC/MSno
EukaryotaFomitopsis PinicolanaGC/MSno
EukaryotaGloeophyllum OdoratumnaGC/MSno
EukaryotaTrametes SuaveolensnaGC/MSno
EukaryotaPleurotus EryngiinaGC/MS, GC-O, AEDAno
EukaryotaPleurotus CystidiosusnaGC/MS, GC-O, AEDAno
EukaryotaAspergillus SydowiinaGC/MSno
EukaryotaAspergillus VersicolornaGC/MSno
EukaryotaPenicillium Sp.n/an/ano
EukaryotaTuber BorchiinaSPME-GC/MS/O); GC-Ryes
EukaryotaFusarium Graminearumyeast extract sucrose agarSPME/GC-MSno
EukaryotaPenicillium ChrysogenumPotato dextrose agar and tobacco products.Closedloop stripping analysis and GC/TOF-MS.yes
EukaryotaRhizoctonia SolaniPotato Dextrose Agar7Tenax TA / TDGC-MSyes
EukaryotaAgaricus Bisporuscomkposted wheat strawGC-MS / SPMEyes
ProkaryotaLentilactobacillus Buchnerimaize silageHS-SPME coupled with GC-TOF MSno
ProkaryotaLacticaseibacillus Paracaseimaize silageHS-SPME coupled with GC-TOF MSno
EukaryotaPichia MembranifaciensYPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)SPME-GC-MSno
EukaryotaBrettanomyces Bruxellensissugared green and black teaHS-SPME-GC/MSno
EukaryotaHanseniaspora Valbyensissugared green and black teaHS-SPME-GC/MSno
EukaryotaPhytophthora CinnamomiPotato Dextrose Agar,V8 juice agarSPME/GC-MS/MSno
EukaryotaPhytophthora CactorumPotato Dextrose AgarSPME/GC-MS/MSstandard
EukaryotaPhytophthora CinnamomiPotato Dextrose AgarSPME/GC-MS/MSstandard
EukaryotaPhytophthora RamorumPotato Dextrose AgarSPME/GC-MS/MSstandard
Lentinula EdodesJiuqu (traditional wheat Qu)GC-IMSno
Microbacteriumtryptone soy (TS medium; Carl Roth, Karlsruhe, Germany)GC-QQQ-MSno
Pediococcus Acidilacticilentils (Lens culinaris)SPME/ICP-MSno


Methyl Hexadecanoate

Mass-Spectra

Compound Details

Synonymous names
METHYL PALMITATE
Methyl hexadecanoate
112-39-0
Palmitic acid methyl ester
Hexadecanoic acid, methyl ester
Palmitic acid, methyl ester
Methyl n-hexadecanoate
Uniphat A60
Metholene 2216
n-Hexadecanoic acid methyl ester
Hexadecanoic acid methyl ester
HSDB 5570
UNII-DPY8VCM98I
DPY8VCM98I
NSC 4197
EINECS 203-966-3
AI3-03509
DUB PM COS
NSC-4197
MFCD00008994
AEC METHYL PALMITATE
DTXSID4029149
CHEBI:69187
EC 203-966-3
WE(1:0/16:0)
METHYL PALMITATE (USP-RS)
METHYL PALMITATE [USP-RS]
hexadecanoic acid-methyl ester
formyl hexadecanoate
Methyl palmitic acid
palmitic methyl ester
methyl hexadecanoic acid
a methylhexadecanoic acid
Emery 2216
Radia 7120
Hexadecanoate methyl ester
C16 FAME
Methyl palmitate, >=97%
SCHEMBL37365
CHEMBL335125
DTXCID909149
METHYL PALMITATE [HSDB]
METHYL PALMITATE [INCI]
NSC4197
HMS3650G09
AMY40844
CS-D1457
HY-N1482
Tox21_202768
BBL010507
LMFA07010470
Methyl palmitate, analytical standard
s9383
STL146153
AKOS005715213
CCG-267168
MCULE-2282587787
NCGC00260315-01
CAS-112-39-0
Methyl palmitate, >=99% (capillary GC)
DB-041084
Hexadecanoic acid methyl ester (FAME MIX)
NS00006070
P0006
S0311
C16995
D70331
EN300-18532402
SR-01000946783
J-002763
Methyl hexadecanoate; Hexadecanoic acid methyl ester
SR-01000946783-1
Q16676086
844D5088-5CCF-4B2D-A678-EA5A7E8CB149
Tert-Butyl3-(N-Hydroxycarbamimidoyl)piperidine-1-carboxylate
Methyl palmitate, United States Pharmacopeia (USP) Reference Standard
Microorganism:

Yes

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
Molweight270.5
LogP7.9
Atoms19
Bonds15
H-bond Acceptor2
H-bond Donor0
Chemical Classificationesters
CHEBI-ID69187
Supernatural-IDSN0088799

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
Massbank-Links

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaPseudomonas Aeruginosastimulate growth in Arabidopsis thaliana seedlings depending on inoculum concentrationavocado trees (Persea americana) rhizosphereGamboa-Becerra et al. 2022
ProkaryotaPseudomonas Sp.stimulate growth in Arabidopsis thaliana seedlings depending on inoculum concentrationavocado trees (Persea americana) rhizosphereGamboa-Becerra et al. 2022
ProkaryotaBacillus Sp.stimulate growth in Arabidopsis thaliana seedlings depending on inoculum concentrationavocado trees (Persea americana) rhizosphereGamboa-Becerra et al. 2022
ProkaryotaBrevibacillus Agristimulate growth in Arabidopsis thaliana seedlings depending on inoculum concentrationavocado trees (Persea americana) rhizosphereGamboa-Becerra et al. 2022
ProkaryotaAneurinibacillus Aneurinilyticusstimulate growth in Arabidopsis thaliana seedlings depending on inoculum concentrationavocado trees (Persea americana) rhizosphereGamboa-Becerra et al. 2022
ProkaryotaSerratia Liquefaciensstimulate growth in Arabidopsis thaliana seedlings depending on inoculum concentrationavocado trees (Persea americana) rhizosphereGamboa-Becerra et al. 2022
ProkaryotaPseudomonas Palleronianaavocado trees (Persea americana) rhizosphereGamboa-Becerra et al. 2022
ProkaryotaArthrobacter Nicotinovoransstimulate growth in Arabidopsis thaliana seedlings depending on inoculum concentrationavocado trees (Persea americana) rhizosphereGamboa-Becerra et al. 2022
ProkaryotaErwinia Persicinaavocado trees (Persea americana) rhizosphereGamboa-Becerra et al. 2022
ProkaryotaPantoea Vagansstimulate growth in Arabidopsis thaliana seedlings depending on inoculum concentrationavocado trees (Persea americana) rhizosphereGamboa-Becerra et al. 2022
ProkaryotaEscherichia ColiLeibnitz Institute DSMZ-German Collection of Microorganisms and Cell Cultures GmbHFitzgerald et al. 2020
EukaryotaFistulina Hepatican/aoak trees (October 2003 from Wisent Park, Springe)Wu et al. 2005
ProkaryotaBurkholderia Tropican/aNATenorio-Salgado et al. 2013
ProkaryotaLentilactobacillus BuchneriNANASquara et al. 2022
ProkaryotaLacticaseibacillus ParacaseiNANASquara et al. 2022
Bacillus ThuringiensisKoilybayeva et al. 2023
Bacillus ToyonensisKoilybayeva et al. 2023
Bacillus AcidiproducensKoilybayeva et al. 2023
Bacillus CereusKoilybayeva et al. 2023
Bacillus SafensisKoilybayeva et al. 2023
Pediococcus AcidilacticiMockus et al. 2024
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaPseudomonas AeruginosaLB mediaSPME/GC-MSno
ProkaryotaPseudomonas Sp.LB mediaSPME/GC-MSno
ProkaryotaBacillus Sp.LB mediaSPME/GC-MSno
ProkaryotaBrevibacillus AgriLB mediaSPME/GC-MSno
ProkaryotaAneurinibacillus AneurinilyticusLB mediaSPME/GC-MSno
ProkaryotaSerratia LiquefaciensLB mediaSPME/GC-MSno
ProkaryotaPseudomonas PalleronianaLB mediaSPME/GC-MSno
ProkaryotaArthrobacter NicotinovoransLB mediaSPME/GC-MSno
ProkaryotaErwinia PersicinaLB mediaSPME/GC-MSno
ProkaryotaPantoea VagansLB mediaSPME/GC-MSno
ProkaryotaEscherichia ColiTSB mediaHS-SPME/GC-MSno
EukaryotaFistulina Hepatican/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).no
ProkaryotaBurkholderia TropicaPotato dextrose agarHeadspace trapping/ GC-MSno
ProkaryotaLentilactobacillus Buchnerimaize silageHS-SPME coupled with GC-TOF MSno
ProkaryotaLacticaseibacillus Paracaseimaize silageHS-SPME coupled with GC-TOF MSno
Bacillus Thuringiensisbacteriological agar (BA, 15 g/L), gelatin peptone (GP, 5 g/L), and meat extract (ME, 3 g/L)GC–MSno
Bacillus Toyonensisbacteriological agar (BA, 15 g/L), gelatin peptone (GP, 5 g/L), and meat extract (ME, 3 g/L)GC–MSno
Bacillus Acidiproducensbacteriological agar (BA, 15 g/L), gelatin peptone (GP, 5 g/L), and meat extract (ME, 3 g/L)GC–MSno
Bacillus Cereusbacteriological agar (BA, 15 g/L), gelatin peptone (GP, 5 g/L), and meat extract (ME, 3 g/L)GC–MSno
Bacillus Safensisbacteriological agar (BA, 15 g/L), gelatin peptone (GP, 5 g/L), and meat extract (ME, 3 g/L)GC–MSno
Pediococcus Acidilacticilentils (Lens culinaris)SPME/ICP-MSno


Methyl Octadec-9-enoate

Compound Details

Synonymous names
Methyl 9-octadecenoate
methyl octadec-9-enoate
2462-84-2
9-Octadecenoic acid, methyl ester
67762-38-3
methyl-9-octadecenoate
EINECS 219-559-9
cis-oleic acid methyl ester
Methyl (E)-9-Octadecenoate
DTXSID9062435
9-octadecenoic acid methyl ester
CHEBI:229170
QYDYPVFESGNLHU-UHFFFAOYSA-N
MCULE-8140747078
SY052944
DB-041104
NS00082188
Microorganism:

No

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
Molweight296.5
LogP7.6
Atoms21
Bonds16
H-bond Acceptor2
H-bond Donor0
Chemical Classificationesters
CHEBI-ID229170
Supernatural-IDSN0318330

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.

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaFistulina Hepatican/aoak trees (October 2003 from Wisent Park, Springe)Wu et al. 2005
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaFistulina Hepatican/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).no


Methyl (E)-hexadec-9-enoate

Compound Details

Synonymous names
Methyl palmitelaidate
10030-74-7
Palmitelaidic acid methyl ester
methyl (E)-hexadec-9-enoate
9-Hexadecenoic acid, methyl ester, (9E)-
methyl hexadec-9-enoate
Palmitelaidic acid-methyl ester
PALMITELAIDICACIDMETHYLESTER
methyl (9E)-hexadec-9-enoate
methyl 9-hexadecenoate
(E)-9-Hexadecenoic acid methyl ester
Methyl 9(E)-hexadecenoate
Methyl trans-9-palmitoleate
(E)-methyl hexadec-9-enoate
SCHEMBL161458
9-Hexadecenoic acid methyl ester
CHEBI:167857
DTXSID101314798
AKOS015892989
(E)-9-Hexadecenoic acid, methyl ester
9-Hexadecenoic acid, (E), methyl ester
HY-115362
CS-0035130
NS00096689
J-000093
Q63408980
Microorganism:

No

IUPAC namemethyl (E)-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/b9-8+
FormulaC17H32O2
PubChem ID638303
Molweight268.4
LogP6.5
Atoms19
Bonds14
H-bond Acceptor2
H-bond Donor0
Chemical Classificationesters
CHEBI-ID167857
Supernatural-IDSN0159246-01

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaFistulina Hepatican/aoak trees (October 2003 from Wisent Park, Springe)Wu et al. 2005
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaFistulina Hepatican/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).no