Results for:
Species: Fistulina hepatica (Schaeffer: Fr.) Fr

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


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


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).