Results for:
Species: Trichoderma harzianum T-E5 CCTCC AF2012011

3,7,11-trimethyldodeca-1,6,10-trien-3-ol

Compound Details

Synonymous names
NEROLIDOL
FQTLCLSUCSAZDY-UHFFFAOYSA-N
Stirrup
dextro-nerolidol
AC1L1RVY
ACMC-1BP9D
KSC175G6D
(Z)-Nerolidol
CTK0H5361
CHEMBL3182436
DTXSID3022247
(+)-Nerolidol
SpecPlus_000303
Spectrum_001222
DSSTox_CID_2247
DSSTox_GSID_22247
KBioGR_002080
KBioSS_001702
AN-19344
4CN-2161
DSSTox_RID_76528
Spectrum2_001507
Spectrum3_001539
Spectrum4_001720
SPBio_001553
KBio2_006838
KBio3_002458
KBio2_004270
KBio2_001702
KBio1_001343
DivK1c_006399
Tox21_301382
142-50-7
7212-44-4
MCULE-1929267041
NCGC00255198-01
NCGC00344526-01
CAS-7212-44-4
1,6,10-Dodecatrien-3-ol, 3,7,11-trimethyl-
1,6,10-Dodecatrien-3-ol, 3,7,11-trimethyl-, (3S,6E)-
1,6,10-Dodecatrien-3-ol, 3,7,11-trimethyl-, (3S,6Z)-
IUPAC name3,7,11-trimethyldodeca-1,6,10-trien-3-ol
SMILESCC(=CCCC(=CCCC(C)(C=C)O)C)C
InchiInChI=1S/C15H26O/c1-6-15(5,16)12-8-11-14(4)10-7-9-13(2)3/h6,9,11,16H,1,7-8,10,12H2,2-5H3
FormulaC15H26O
PubChem ID8888
Molweight222.372
LogP4.31
Atoms42
Bonds41
H-bond Acceptor1
H-bond Donor1
Chemical ClassificationAlcohols Alkenes terpenes

mVOC Specific Details


Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaStigmatella Aurantiaca DW4/3-1n/aDickschat et al., 2005_5
BacteriaStigmatella Aurantiaca Sg A15n/aDickschat et al., 2005_5
FungiTrichoderma Harzianum T-E5 CCTCC AF2012011n/aZhang et al., 2014
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaStigmatella Aurantiaca DW4/3-1n/an/a
BacteriaStigmatella Aurantiaca Sg A15n/an/a
FungiTrichoderma Harzianum T-E5 CCTCC AF2012011Minimal mediaSPME/GC-MS


Pentadecane

Mass-Spectra

Compound Details

Synonymous names
Pentadecane_Ramanathan &Gurudeeban
Pentadekan
Pentadecane
pentadecan
YCOZIPAWZNQLMR-UHFFFAOYSA-N
pentadecyl group
Medicinal Plant
N-PENTADECANE
Pentadecane, analytical standard
MYS
AC1L1ZHU
ACMC-1AVXR
AC1Q2W1H
Pentadecane, >=99%
Pentadecane, n-
C15H32
V0208
S0287
CTK2F3650
P0606
UNII-J3N6X3YK96 component YCOZIPAWZNQLMR-UHFFFAOYSA-N
UNII-CI87N1IM01 component YCOZIPAWZNQLMR-UHFFFAOYSA-N
16H6K2S8M2
HSDB 5729
LTBB002322
C08388
LP082233
LP001445
DTXSID6027268
NSC172781
STL280516
CHEMBL1234557
UNII-114P5I43UJ component YCOZIPAWZNQLMR-UHFFFAOYSA-N
DSSTox_CID_7268
CHEBI:28897
UNII-16H6K2S8M2
ZINC1531089
SC-73247
TL8004333
TRA0009260
DSSTox_GSID_27268
ANW-34476
AN-22063
MFCD00008990
UNII-FW7807707B component YCOZIPAWZNQLMR-UHFFFAOYSA-N
DSSTox_RID_78379
ghl.PD_Mitscher_leg0.43
LMFA11000006
NSC 172781
CH3(CH2)13CH3
TR-021671
RTR-021671
LS-101397
NSC-172781
AKOS015902386
BRN 1698194
FT-0637675
I14-19380
Tox21_300535
629-62-9
I14-100418
NCGC00164185-01
NCGC00164185-02
NCGC00254392-01
Pentadecane, >=98.0% (GC)
MCULE-1292711626
EINECS 211-098-1
CH3-[CH2]13-CH3
CAS-629-62-9
MolPort-003-933-014
4-01-00-00529 (Beilstein Handbook Reference)
896D4B7E-BF33-4D54-82CE-7360D88E8DC8
IUPAC namepentadecane
SMILESCCCCCCCCCCCCCCC
InchiInChI=1S/C15H32/c1-3-5-7-9-11-13-15-14-12-10-8-6-4-2/h3-15H2,1-2H3
FormulaC15H32
PubChem ID12391
Molweight212.421
LogP7.13
Atoms47
Bonds46
H-bond Acceptor0
H-bond Donor0
Chemical ClassificationAlkanes

mVOC Specific Details

Volatilization
The Henry's Law constant for n-pentadecane is estimated as 34.4 atm-cu m/mole(SRC) derived from its vapor pressure, 0.00492 mm Hg(1), and water solubility, 4X10-5 mg/L(2). This Henry's Law constant indicates that n-pentadecane is expected to volatilize rapidly from water surfaces(3). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec)(3) is estimated as 4 hours(SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(3) is estimated as 5.8 days(SRC). However, volatilization from water surfaces is expected to be attenuated by adsorption to suspended solids and sediment in the water column. The estimated volatilization half-life from a model pond is 30 months if adsorption is considered(4). n-Pentadecane's estimated Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). n-Pentadecane is not expected to volatilize from dry soil surfaces based upon its vapor pressure(SRC).
Literature: (1) Daubert TE, Danner RP; Physical and Thermodynamic Properties of Pure Dhemicals: Data Compilation. Design Institute for Physical Property Data, American Institute of Chemical Engineers. Washington, DC: Taylor & Francis, (1994) (2) Yalkowsky SH et al; Handbook of Aqueous Solubility Data. 2nd ed., Boca Raton, FL: CRC Press, p. 1081 (2010) (3) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (4) US EPA; EXAMS II Computer Simulation (1987)
Solubility
In water, 4.0X10-5 mg/L at 25 deg C
Literature: Yalkowsky, S.H., He, Yan, Jain, P. Handbook of Aqueous Solubility Data Second Edition. CRC Press, Boca Raton, FL 2010, p. 806
Literature: #Very soluble in ethyl ether, ethanol
Literature: Haynes, W.M. (ed.). CRC Handbook of Chemistry and Physics. 95th Edition. CRC Press LLC, Boca Raton: FL 2014-2015, p. 3-436
Soil Adsorption
Using a structure estimation method based on molecular connectivity indices(1), the Koc of n-pentadecane can be estimated to be 29,200(SRC). According to a classification scheme(2), this estimated Koc value suggests that n-pentadecane is expected to be immobile in soil. In a study conducted to mimic a spill of 1.27 L/sq-m, n-pentadecane (present in JP-4 jet fuel) was transported to a depth of 50 cm; at the end of the study (134 days), it was still detected(3).
Literature: (1) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.11. Nov, 2012. Available from, as of Nov 11, 2015: http://www2.epa.gov/tsca-screening-tools (2) Swann RL et al; Res Rev 85: 23 (1983) (3) Ross WD et al; Environmental Fate and Biological Consequences of Chemicals Related to Air Force Activities. NTIS AD-A121 288/5. Dayton,OH: Monsanto Research Corp. pp. 173 (1982)
Vapor Pressure
PressureReference
4.92X10-3 mm Hg at 25 deg CDaubert TE, Danner RP; Physical and Thermodynamic Properties of Pure Dhemicals: Data Compilation. Design Institute for Physical Property Data, American Institute of Chemical Engineers. Washington, DC: Taylor & Francis (1994)
MS-Links
1D-NMR-Links

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaAzospirillum Brasilense Cdpromotion of performance of Chlorella sorokiniana Shihculture collection DSMZ 1843Amavizca et al. 2017
BacteriaBacillus Pumilus ES4promotion of performance of Chlorella sorokiniana ShihAmavizca et al. 2017
BacteriaBurkholderia Sacchari LMG 19450n/aBlom et al., 2011
BacteriaEscherichia Coli DH5apromotion of performance of Chlorella sorokiniana ShihAmavizca et al. 2017
BacteriaPseudomonas Aurantiacan/aFernando et al., 2005
BacteriaPseudomonas Brassicacearum USB2104narhizosphere of bean plants, southern ItalyGiorgio et al., 2015
BacteriaPseudomonas Chlororaphisn/aFernando et al., 2005
BacteriaPseudomonas Corrugaten/aFernando et al., 2005
BacteriaPseudomonas Fluorescensn/aFernando et al., 2005
BacteriaPseudomonas Putida USB2105narhizosphere of bean plants, southern ItalyGiorgio et al., 2015
BacteriaPseudomonas Simiae AUnarhizosphere of a soybean field in the province of Rajasthan, IndiaVaishnav et al., 2016
BacteriaSerratia Entomophilia A1MO2n/aBlom et al., 2011
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
FungiTrichoderma Harzianum T-E5 CCTCC AF2012011n/aZhang et al., 2014
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaAzospirillum Brasilense CdTSASPME-GCno
BacteriaBacillus Pumilus ES4TSASPME-GCno
BacteriaBurkholderia Sacchari LMG 19450LB, MSHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaEscherichia Coli DH5aTSASPME-GCno
BacteriaPseudomonas Aurantiacan/an/a
BacteriaPseudomonas Brassicacearum USB2104King's B AgarSPME-GC/MSNo
BacteriaPseudomonas Chlororaphisn/an/a
BacteriaPseudomonas Corrugaten/an/a
BacteriaPseudomonas Fluorescensn/an/a
BacteriaPseudomonas Putida USB2105King's B AgarSPME-GC/MSNo
BacteriaPseudomonas Simiae AUNutrient broth; King's B agarGC/MSNo
BacteriaSerratia Entomophilia A1MO2n/aHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
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
FungiTrichoderma Harzianum T-E5 CCTCC AF2012011Minimal mediaSPME/GC-MS


1-methyl-4-(6-methylhept-5-en-2-yl)benzene

Mass-Spectra

Compound Details

Synonymous names
VMYXUZSZMNBRCN-UHFFFAOYSA-N
Curcumene
aromatic curcumene
alpha-Curcumene
aryl-curcumene
Curcumene
Ar-Curcumene
AC1L3NI1
.alpha.-Curcumene
LP102105
CHEBI:62757
644-30-4
2-Methyl-6-p-tolyl-2-heptene
2-Heptene, 2-methyl-6-p-tolyl-
1-(1,5-Dimethyl-4-hexenyl)-4-methylbenzene
1-(1,5-Dimethyl-4-hexenyl)-4-methylbenzene #
1-methyl-4-(6-methylhept-5-en-2-yl)benzene
1-(1,5-dimethyl-hex-4-enyl)-4-methyl-benzene
Benzene, 1-(1,5-dimethyl-4-hexenyl)-4-methyl-
IUPAC name1-methyl-4-(6-methylhept-5-en-2-yl)benzene
SMILESCC1=CC=C(C=C1)C(C)CCC=C(C)C
InchiInChI=1S/C15H22/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h6,8-11,14H,5,7H2,1-4H3
FormulaC15H22
PubChem ID92139
Molweight202.341
LogP5.39
Atoms37
Bonds37
H-bond Acceptor0
H-bond Donor0
Chemical Classificationterpenes benzenoids

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
FungiCoriolus Versicolorcolonized beetleGuevara et al 2000
FungiGanoderma Adspersumcolonized beetleGuevara et al 2000
FungiPiptoporus Betulinuscolonized beetleGuevara et al 2000
FungiAspergillus Fumigatus Strain FGSC A1163Heddergott et al. 2014
FungiTrichoderma Atroviride ATCC 74058Stoppacher et al., 2010
FungiTrichoderma Harzianum T-E5 CCTCC AF2012011n/aZhang et al., 2014
FungiGanoderma Lucidumnasaprophytic on deciduous treesZiegenbein et al., 2006
FungiPenicillium Polonicumnawater damaged buildings, BelgiumPolizzi et al., 2012
FungiTrichoderma Atroviridenawater damaged buildings, BelgiumPolizzi et al., 2012
FungiArmillaria Mellean/aMueller et al., 2013
FungiAspergillus Vesicolorcompost Fischer et al. 2029
FungiPenicillium Expansumcompost Fischer et al. 2029
FungiPholiota Squarrosan/aMueller et al., 2013
FungiStropharia Rugosoannulatan/aMueller et al., 2013
FungiTrichoderma Viriden/aMueller et al., 2013
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
FungiCoriolus Versicolorsteam destillation, GC-Mno
FungiGanoderma Adspersumsteam destillation, GC-Mno
FungiPiptoporus Betulinussteam destillation, GC-Mno
FungiAspergillus Fumigatus Strain FGSC A1163Brian`s broth, AMM, RPMI 1668SPME / GC-MS
FungiTrichoderma Atroviride ATCC 74058Potato dextrose agarHS-SPME/GC-MS no
FungiTrichoderma Harzianum T-E5 CCTCC AF2012011Minimal mediaSPME/GC-MS
FungiGanoderma LucidumnaGC/MSNo
FungiPenicillium Polonicummalt extract agar; potato dextrose agar; water agar; yeast extract agar; Czapek agarSPME-GC/MSNo
FungiTrichoderma Atroviridemalt extract agar; potato dextrose agar; water agar; yeast extract agar; Czapek agarSPME-GC/MSNo
FungiArmillaria MelleaMelin-Nor krans synthetic medium (modified)Headspace trapping ( using stir bar sorptive extraction )/ GC-MS
FungiAspergillus Vesicoloryest extract sucroseTenax/GC-MSno
FungiPenicillium Expansumyest extract sucroseTenax/GC-MSno
FungiPholiota SquarrosaMelin-Nor krans synthetic medium (modified)Headspace trapping ( using stir bar sorptive extraction )/ GC-MS
FungiStropharia RugosoannulataMelin-Nor krans synthetic medium (modified)Headspace trapping ( using stir bar sorptive extraction )/ GC-MS
FungiTrichoderma VirideMelin-Nor krans synthetic medium (modified)Headspace trapping ( using stir bar sorptive extraction )/ GC-MS


(4S)-1-methyl-4-(6-methylhepta-1,5-dien-2-yl)cyclohexene

Mass-Spectra

Compound Details

Synonymous names
XZRVRYFILCSYSP-OAHLLOKOSA-N
beta-Bisabolene
l-beta-Bisabolene
.beta.-Bisabolene
S19BRC22QA
UNII-S19BRC22QA
l-.beta.-Bisabolene
(S)-beta-bisabolene
C19751
C16775
CHEMBL1077088
ZINC1846611
CHEBI:49263
(-)-beta-bisabolene
FT-0622892
LMPR0103060013
495-61-4
(-)-.beta.-bisabolene
(+,-)-.beta.-Bisabolene
(S)-1-Methyl-4-(5-methyl-1-methylene-4-hexenyl)cyclohexene
1-Methyl-4-(5-methyl-1-methylene-4-hexenyl)-(S)-cyclohexene
(4S)-1-methyl-4-(5-methyl-1-methylenehex-4-en-1-yl)cyclohexene
(1S)-bisabola-4,7(11),10(15)-triene
Cyclohexene, 1-methyl-4-(5-methyl-1-methylene-4-hexenyl)-, (S)-
1-Methyl-4-(5-methyl-1-methylene-4-hexenyl)-1-cyclohexene-, (4S)-
(S)-(-)-6-methyl-2-(4-methyl-3-cyclohexen-1-yl)-1,5-heptadiene
1,5-Heptadiene, 6-methyl-2-(4-methyl-3-cyclohexen-1-yl)-, (S)-(-)-
(1S)-bisabola-4,7(11),10(15)-triene (4S)-1-methyl-4-(5-methyl-1-methylenehex-4-en-1-yl)cyclohexene
IUPAC name(4S)-1-methyl-4-(6-methylhepta-1,5-dien-2-yl)cyclohexene
SMILESCC1=CCC(CC1)C(=C)CCC=C(C)C
InchiInChI=1S/C15H24/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h6,8,15H,4-5,7,9-11H2,1-3H3/t15-/m1/s1
FormulaC15H24
PubChem ID10104370
Molweight204.357
LogP4.88
Atoms39
Bonds39
H-bond Acceptor0
H-bond Donor0
Chemical Classificationterpenes

mVOC Specific Details


Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
FungiArmillaria Mellean/aMueller et al., 2013
FungiLaccaria Bicolorn/aMueller et al., 2013
FungiPaxillus Involutus MAJn/aMueller et al., 2013
FungiPaxillus Involutus NAUn/aMueller et al., 2013
FungiPholiota Squarrosan/aMueller et al., 2013
FungiStropharia Rugosoannulatan/aMueller et al., 2013
FungiTrichoderma Viriden/aMueller et al., 2013
FungiPleurotus CystidiosusnanaUsami et al., 2014
FungiAspergillus Fumigatus Strain FGSC A1163Heddergott et al. 2014
FungiPenicillium PolonicumPolizzi et al., 2012
FungiTrichoderma Atroviride ATCC 74058Stoppacher et al., 2010
FungiTrichoderma Harzianum T-E5 CCTCC AF2012011n/aZhang et al., 2014
FungiGanoderma Lucidumnasaprophytic on deciduous treesZiegenbein et al., 2006
FungiPenicillium Polonicumnawater damaged buildings, BelgiumPolizzi et al., 2012
FungiTrichoderma Atroviridenawater damaged buildings, BelgiumPolizzi et al., 2012
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
FungiArmillaria MelleaMelin-Nor krans synthetic medium (modified)Headspace trapping ( using stir bar sorptive extraction )/ GC-MS
FungiLaccaria BicolorMelin-Nor krans synthetic medium (modified)Headspace trapping ( using stir bar sorptive extraction )/ GC-MS
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
FungiPholiota SquarrosaMelin-Nor krans synthetic medium (modified)Headspace trapping ( using stir bar sorptive extraction )/ GC-MS
FungiStropharia RugosoannulataMelin-Nor krans synthetic medium (modified)Headspace trapping ( using stir bar sorptive extraction )/ GC-MS
FungiTrichoderma VirideMelin-Nor krans synthetic medium (modified)Headspace trapping ( using stir bar sorptive extraction )/ GC-MS
FungiPleurotus CystidiosusnaGC/MS, GC-O, AEDANo
FungiAspergillus Fumigatus Strain FGSC A1163Brian`s broth, AMM, RPMI 1654SPME / GC-MS
FungiPenicillium Polonicummalt extract agar (MEA), wallpaper, plasterboardSPME/GC-MS
FungiTrichoderma Atroviride ATCC 74058Potato dextrose agarHS-SPME/GC-MS no
FungiTrichoderma Harzianum T-E5 CCTCC AF2012011Minimal mediaSPME/GC-MS
FungiGanoderma LucidumnaGC/MSNo
FungiPenicillium Polonicummalt extract agar; potato dextrose agar; water agar; yeast extract agar; Czapek agarSPME-GC/MSNo
FungiTrichoderma Atroviridemalt extract agar; potato dextrose agar; water agar; yeast extract agar; Czapek agarSPME-GC/MSNo


Compound Details

Synonymous names
alpha-Cubebene
AC1L9CO8
438H9S5RG9
C09647
PL001071
DTXSID3058325
ZINC8234284
UNII-438H9S5RG9
CHEBI:10224
Caswell No. 264AB
(-)-alpha-Cubebene
AKOS015913737
EPA Pesticide Chemical Code 117901
I14-45219
alpha-Cubebene, (-)-
17699-14-8
1H-Cyclopenta(1,3)cyclopropa(1,2)benzene, 3a,3b,4,5,6,7-hexahydro-3,7-dimethyl-4-(1-methylethyl)-, (3aS,3bR,4S,7R,7aR)-
1H-Cyclopenta(1,3)cyclopropa(1,2)benzene, 3a,3b,4,5,6,7-hexahydro-3,7-dimethyl-4-(1-methyl-ethyl)-, (3aS-(3aalpha,3bbeta,4beta,7alpha,7aS*))-
(1R,5S,6R,7S,10R)-4,10-DIMETHYL-7-(PROPAN-2-YL)TRICYCLO[4.4.0.0(1),?]DEC-3-ENE
IUPAC name
SMILESCC1CCC(C2C13C2C(=CC3)C)C(C)C
InchiInChI=1S/C15H24/c1-9(2)12-6-5-11(4)15-8-7-10(3)13(15)14(12)15/h7,9,11-14H,5-6,8H2,1-4H3/t11-,12+,13-,14-,15+/m1/s1
FormulaC15H24
PubChem ID442359
Molweight204.357
LogP4.09
Atoms39
Bonds41
H-bond Acceptor0
H-bond Donor0
Chemical ClassificationTerpenes

mVOC Specific Details


Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
FungiAntrodia Cinnamomea ATCC 200183nanaLu et al., 2014
FungiPiptoporus BetulinusnaSachsenwald near HamburgRösecke et al., 2000
FungiAspergillus Ustusnawater damaged buildings, BelgiumPolizzi et al., 2012
FungiTrichoderma Harzianum T-E5 CCTCC AF2012011n/aZhang et al., 2014
FungiArmillaria Mellean/aMueller et al., 2013
FungiPholiota Squarrosan/aMueller et al., 2013
FungiStropharia Rugosoannulatan/aMueller et al., 2013
FungiTrichoderma Viriden/aMueller et al., 2013
FungiFomitopsis PinicolanaGermanyRösecke et al., 2000
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
FungiAntrodia Cinnamomea ATCC 200183PDAGC/MSYes
FungiPiptoporus BetulinusnaGC/MSNo
FungiAspergillus Ustusmalt extract agar; potato dextrose agar; water agar; yeast extract agar; Czapek agarSPME-GC/MSNo
FungiTrichoderma Harzianum T-E5 CCTCC AF2012011Minimal mediaSPME/GC-MS
FungiArmillaria MelleaMelin-Nor krans synthetic medium (modified)Headspace trapping ( using stir bar sorptive extraction )/ GC-MS
FungiPholiota SquarrosaMelin-Nor krans synthetic medium (modified)Headspace trapping ( using stir bar sorptive extraction )/ GC-MS
FungiStropharia RugosoannulataMelin-Nor krans synthetic medium (modified)Headspace trapping ( using stir bar sorptive extraction )/ GC-MS
FungiTrichoderma VirideMelin-Nor krans synthetic medium (modified)Headspace trapping ( using stir bar sorptive extraction )/ GC-MS
FungiFomitopsis PinicolanaGC/MSNo


2,4-ditert-butylphenol

Mass-Spectra

Compound Details

Synonymous names
ICKWICRCANNIBI-UHFFFAOYSA-N
AC1L1OHA
AC1Q1LUF
2,4-ditertiarybutylphenol
antioxidantno.33
FOB94G6HZT
AC1Q1M8L
AC1Q7A8R
UNII-FOB94G6HZT
K743
KSC490K4N
CHEMBL29873
Prodox 146
PubChem16035
2,4-Di-tert-butylhydroxybenzene
2,4-di-tertbutylphenol
2,4-ditert-butylphenol
2,4di-tert-butylphenol
24-Ditert-Butyl-Phenol
CTK3J0546
D0229
2,4-tert-butylphenol
ACMC-209s7n
NE10618
RP26248
SCHEMBL109921
2,4-ditertiary-butyl phenol
Antioxidant No. 33
CL 2725
DTXSID2026602
NSC174502
OR004378
OR095487
SBB060741
ZB015855
2,4-Di-tert-butylphenol
2,4-di-tert.butylphenol
2,4-ditert-butyl phenol
2,4-ditert-butyl-phenol
CHEBI:89188
DSSTox_CID_6602
ZINC1081075
2,4-DI-T-BUTYLPHENOL
AJ-24883
AK-89694
AN-24359
ANW-40833
CJ-04718
DSSTox_GSID_26602
ST2415739
BDBM50409544
DSSTox_RID_78158
MFCD00008828
Phenol,4-di-tert-butyl-
Prodox 146A-85X
ZINC01081075
2,4-bis(tert-butyl)phenol
KB-164879
LS-104318
NSC 174502
NSC-174502
RTR-031280
ST50308551
TR-031280
2,4-di-tert-butyl phenol
2,4-di-tert-butyl-pheno
2,4-Di-tert-butyl-phenol
2,4-Di-tert.-butylphenol
AKOS003669719
I01-6981
Q-200191
2,4-di-t-butyl-phenol
BRN 1910383
FT-0610222
TRA-0206429
1-Hydroxy-2,4-di-tert-butylbenzene
96-76-4
Tox21_202320
Tox21_300114
2,4-Bis(1,1-dimethylethyl)phenol
2,4-Bis(1,1'-dimethylethyl)phenol
2,4-Ditert-Butyl-Phenol
CAS-96-76-4
MCULE-6010467095
NCGC00164059-01
NCGC00164059-02
NCGC00164059-03
NCGC00254167-01
NCGC00259869-01
WLN: 1X1&1&R BQ CX1&1&1
2,4-Di-tert-butylphenol, 99%
EINECS 202-532-0
Phenol,4-bis(1,1-dimethylethyl)-
50356-26-8
Phenol, 2,4-di-tert-butyl-
2,4-bis(1,1-dimethylethyl)-phenol
2,4-bis(1,1-dimethylethyl)-pheno
2,4-di(1,1-dimethylethyl)-pheno
652152-53-9
MolPort-000-917-830
Phenol, 2,4-bis(1,1-dimethylethyl)-
Phenol, 2,4-di(1,1-dimethylethyl)-
(2S)-N-[(1S)-2-[[(1S)-2-[[(1S)-2-[[(1S)-2-[[2-[[(1S)-1-[[(1S)-4-amino-1-[(2S)-2-[(2-amino-2-oxo-ethyl)carbamoyl]pyrrolidine-1-carbonyl]-4-oxo-butyl]carbamoyl]-3-methyl-butyl]amino]-2-oxo-ethyl]amino]-1-[(4-hydroxyphenyl)methyl]-2-oxo-ethyl]amino]-1-(
InChI=1/C14H22O/c1-13(2,3)10-7-8-12(15)11(9-10)14(4,5)6/h7-9,15H,1-6H
IUPAC name2,4-ditert-butylphenol
SMILESCC(C)(C)C1=CC(=C(C=C1)O)C(C)(C)C
InchiInChI=1S/C14H22O/c1-13(2,3)10-7-8-12(15)11(9-10)14(4,5)6/h7-9,15H,1-6H3
FormulaC14H22O
PubChem ID7311
Molweight206.329
LogP4.76
Atoms37
Bonds37
H-bond Acceptor1
H-bond Donor1
Chemical Classificationalcohols benzenoids

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaShewanella Algae YM17inhibits mycelial growth of Aspergillus flavus and germination of Aspergillus flavus' conidiasea sediment in east China coastGong et al., 2015
FungiTrichoderma Harzianum T-E5 CCTCC AF2012011n/aZhang et al., 2014
BacteriaArthrobacter Agilis UMCV2narhizosphere of maize plantsVelázquez-Becerra et al.,2011
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaShewanella Algae YM17NA mediumSPME-GC/MSYes
FungiTrichoderma Harzianum T-E5 CCTCC AF2012011Minimal mediaSPME/GC-MS
BacteriaArthrobacter Agilis UMCV2NA mediumSPME-GC/MSNo


2,6,10-trimethylundeca-5,9-dienal

Compound Details

Synonymous names
ZXGMEZJVBHJYEQ-UHFFFAOYSA-N
AC1L3LEJ
AN-18075
EINECS 245-999-6
EINECS 258-966-6
24048-13-3
2,6,10-trimethyl-5,9-undecadienal
2,6,10-Trimethylundeca-5,9-dienal
5,9-Undecadienal, 2,6,10-trimethyl-
2,6,10-Trimethyl-5,9-undecadien-1-al
IUPAC name2,6,10-trimethylundeca-5,9-dienal
SMILESCC(CCC=C(C)CCC=C(C)C)C=O
InchiInChI=1S/C14H24O/c1-12(2)7-5-8-13(3)9-6-10-14(4)11-15/h7,9,11,14H,5-6,8,10H2,1-4H3
FormulaC14H24O
PubChem ID91115
Molweight208.345
LogP4.18
Atoms39
Bonds38
H-bond Acceptor1
H-bond Donor0
Chemical Classificationaldehydes alkenes

mVOC Specific Details


Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
FungiTrichoderma Harzianum T-E5 CCTCC AF2012011n/aZhang et al., 2014
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
FungiTrichoderma Harzianum T-E5 CCTCC AF2012011Minimal mediaSPME/GC-MS


3,7,11-trimethyldodecan-1-ol

Mass-Spectra

Compound Details

Synonymous names
hexahydrofarnesol
HDPUXESLSOZSIB-UHFFFAOYSA-N
Hexa-hydro-farnesol
AC1L3DNM
SCHEMBL95500
QSPL 138
CTK5C6253
LP022503
3,7,11-trimethyldodecanol
CHEBI:84239
AKOS028111046
1-Dodececanol,3,7,11-trimethyl
3,7,11-trimethyldodecan-1-ol
3,7,11-Trimethyl-1-dodecanol
6750-34-1
1-Dodecanol,3,7,11-trimethyl-
MolPort-028-950-066
1-Dodecanol, 3,7,11-trimethyl-
IUPAC name3,7,11-trimethyldodecan-1-ol
SMILESCC(C)CCCC(C)CCCC(C)CCO
InchiInChI=1S/C15H32O/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16/h13-16H,5-12H2,1-4H3
FormulaC15H32O
PubChem ID138824
Molweight228.42
LogP5.22
Atoms48
Bonds47
H-bond Acceptor1
H-bond Donor1
Chemical Classificationterpenes alcohols

mVOC Specific Details

Solubility
2.62e-04 g/l
Literature: ALOGPS

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
FungiTrichoderma Harzianum T-E5 CCTCC AF2012011n/aZhang et al., 2014
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
FungiTrichoderma Harzianum T-E5 CCTCC AF2012011Minimal mediaSPME/GC-MS


Tetracosane

Mass-Spectra

Compound Details

Synonymous names
Lignocerane
TETRACOSANE
POOSGDOYLQNASK-UHFFFAOYSA-N
n-Tetracosane
Tetracosane, analytical standard
AC1L1ZXC
AC1Q28TZ
YQ5H1M1D7I
Tricosane, methyl-
ACMC-1B0GQ
Tetracosane, 99%
KSC357O9B
UNII-YQ5H1M1D7I
C24H50
6714AF
NSC2984
S0296
CTK2F7790
HSDB 8354
LP001499
NSC 2984
NSC-2984
DTXSID8060955
SBB060079
STL301146
ZINC6920417
CHEBI:32936
TRA0079740
TL8004607
AN-20472
ANW-34924
CC-33170
MFCD00009352
LMFA11000585
C-24771
ST51046323
AI3-52698
TR-022119
RTR-022119
DB-054706
AKOS015843189
FT-0632744
n-Tetracosane, 99% 5g
I14-106317
646-31-1
MCULE-5174537376
CH3-[CH2]22-CH3
EINECS 211-474-5
MolPort-003-933-016
0A751D89-FC23-4E63-9FA0-2DD14DA5803E
IUPAC nametetracosane
SMILESCCCCCCCCCCCCCCCCCCCCCCCC
InchiInChI=1S/C24H50/c1-3-5-7-9-11-13-15-17-19-21-23-24-22-20-18-16-14-12-10-8-6-4-2/h3-24H2,1-2H3
FormulaC24H50
PubChem ID12592
Molweight338.664
LogP11.13
Atoms74
Bonds73
H-bond Acceptor0
H-bond Donor0
Chemical Classificationalkanes

mVOC Specific Details

Volatilization
The Henry's Law constant for tetracosane is estimated as 280 atm-cu m/mole(SRC) using a fragment constant estimation method(1). This Henry's Law constant indicates that tetracosane 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)(3) is estimated as 1.9 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 7.3 days(SRC). However, adsorption to soil is expected to attenuate volatilization(SRC). The estimated volatilization half-life from a model pond is greater than 2 years if adsorption is considered(4). Tetracosane is not expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 4.07X10-6 mm Hg(5).
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) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.1. Nov, 2012. Available from, as of Nov 17, 2016: http://www2.epa.gov/tsca-screening-tools (4) US EPA; EXAMS II Computer Simulation (1987) (5) Perry RH, Green D; Perry's Chemical Handbook. Physical and Chemical Data 6th ed., New York, NY: McGraw Hill (1984)
Solubility
In water, 6.44X10-8 mg/L at 25 deg C (est)
Literature: US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.1. Nov, 2012. Available from, as of Nov 17, 2016: http://www2.epa.gov/tsca-screening-tools
Literature: #Insoluble in water
Literature: Larranaga, M.D., Lewis, R.J. Sr., Lewis, R.A.; Hawley's Condensed Chemical Dictionary 16th Edition. John Wiley & Sons, Inc. Hoboken, NJ 2016., p. 1316
Literature: #Slightly soluble in ethanol; very soluble in ethyl ether
Literature: Haynes, W.M. (ed.). CRC Handbook of Chemistry and Physics. 95th Edition. CRC Press LLC, Boca Raton: FL 2014-2015, p. 3-498
Literature: #Soluble in alcohol
Literature: Larranaga, M.D., Lewis, R.J. Sr., Lewis, R.A.; Hawley's Condensed Chemical Dictionary 16th Edition. John Wiley & Sons, Inc. Hoboken, NJ 2016., p. 1316
Soil Adsorption
The Koc of tetracosane is estimated as 6.5X10+6(SRC), using an estimated log Kow of 12.13(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that tetracosane is expected to be immobile in soil.
Literature: (1) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.1. Nov, 2012. Available from, as of Nov 17, 2016: http://www2.epa.gov/tsca-screening-tools (2) Swann RL et al; Res Rev 85: 17-28 (1983)
Vapor Pressure
PressureReference
4.07X10-6 mm Hg at 25 deg C (extrapolated)Perry RH, Green D; Perry's Chemical Handbook. Physical and Chemical Data 6th ed., New York, NY: McGraw Hill (1984)
MS-Links
1D-NMR-Links

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
FungiTrichoderma Harzianum T-E5 CCTCC AF2012011n/aZhang et al., 2014
FungiSpongiporus Leucomallellusnasaprophytic mostly on wet, old pinesZiegenbein et al., 2006
BacteriaPseudomonas Simiae AUnarhizosphere of a soybean field in the province of Rajasthan, IndiaVaishnav et al., 2016
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
FungiTrichoderma Harzianum T-E5 CCTCC AF2012011Minimal mediaSPME/GC-MS
FungiSpongiporus LeucomallellusnaGC/MSNo
BacteriaPseudomonas Simiae AUNutrient broth; King's B agarGC/MSNo


2,6,10,14-tetramethylpentadecane

Mass-Spectra

Compound Details

Synonymous names
tetramethylpentadecane
Norphytane
XOJVVFBFDXDTEG-UHFFFAOYSA-N
PRISTANE
Norphytan
Bute hydrocarbon
Pristan
meso-Pristane
Norphytane, robuoy
AC1Q28RA
AC1L270X
ACMC-209evn
6529AF
C19H40
CTK3J0447
VZ36859
HSDB 8345
2,10,14-Tetramethylpentadecane
NSC114852
LP002696
CHEBI:53181
Pristane, synthetic, liquid, sterile-filtered, BioReagent
DTXSID70870919
CC-33922
ANW-23553
ACM1921706
C-28168
MFCD00008952
DB-044784
TR-008921
RTR-008921
NSC-114852
NSC 114852
LS-101400
AKOS025294812
W-201712
BRN 1720538
2,6,10,14-Tetramethylpentadecane
FT-0610506
2,6,10,10-Tetramethylpentadecane
2,6,10,14-tetramethylpentadecan
Pentadecane,6,10,14-tetramethyl-
Pristane, synthetic, >=98% (GC)
2,6,10,14-tetramethyl-pentadecane
1921-70-6
EINECS 217-650-8
MolPort-003-939-556
Pentadecane, 2,6,10,14-tetramethyl-
3-01-00-00570 (Beilstein Handbook Reference)
IUPAC name2,6,10,14-tetramethylpentadecane
SMILESCC(C)CCCC(C)CCCC(C)CCCC(C)C
InchiInChI=1S/C19H40/c1-16(2)10-7-12-18(5)14-9-15-19(6)13-8-11-17(3)4/h16-19H,7-15H2,1-6H3
FormulaC19H40
PubChem ID15979
Molweight268.529
LogP8.28
Atoms59
Bonds58
H-bond Acceptor0
H-bond Donor0
Chemical Classificationalkanes

mVOC Specific Details

Boiling Point
DegreeReference
296 deg CO'Neil, M.J. (ed.). The Merck Index - An Encyclopedia of Chemicals, Drugs, and Biologicals. Cambridge, UK: Royal Society of Chemistry, 2013., p. 1437
Volatilization
The Henry's Law constant for pristane is estimated as 68 atm-cu m/mole(SRC) using a fragment constant estimation method(1). This Henry's Law constant indicates that pristane 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)(3) is estimated as 1.6 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 6.5 days(SRC). However, volatilization from water surfaces is expected to be attenuated by adsorption to suspended solids and sediment in the water column. The estimated volatilization half-life from a model pond is greater than 2 years if adsorption is considered (4). Pristane's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). However, this process is expected to be attenuated by adsorption. Pristane is not expected to volatilize from dry soil surfaces(SRC) based upon an estimated vapor pressure of 4.4X10-3 mm Hg(SRC), determined from a fragment constant method(3).
Literature: (1) Meylan WM, Howard PH; Environ Toxicol Chem 10: 1283-93 (1991) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (3) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.1. Nov, 2012. Available from, as of November 7, 2016: http://www2.epa.gov/tsca-screening-tools (4) US EPA; EXAMS II Computer Simulation (1987)
Solubility
In water, 1.0X10-8 mg/L at 25 deg C
Literature: Yalkowsky, S.H., He, Yan, Jain, P. Handbook of Aqueous Solubility Data Second Edition. CRC Press, Boca Raton, FL 2010, p. 1212
Literature: #Soluble in most organic solvents
Literature: Larranaga, M.D., Lewis, R.J. Sr., Lewis, R.A.; Hawley's Condensed Chemical Dictionary 16th Edition. John Wiley & Sons, Inc. Hoboken, NJ 2016., p. 1134
Literature: #Very soluble in benzene, ether, chloroform, petroleum ether
Literature: Haynes, W.M. (ed.). CRC Handbook of Chemistry and Physics. 95th Edition. CRC Press LLC, Boca Raton: FL 2014-2015, p. 3-506
Literature: #Soluble in carbon tetrachloride
Literature: O'Neil, M.J. (ed.). The Merck Index - An Encyclopedia of Chemicals, Drugs, and Biologicals. Cambridge, UK: Royal Society of Chemistry, 2013., p. 1437
Soil Adsorption
Using a structure estimation method based on molecular connectivity indices(1), the Koc of pristane can be estimated to be 1.8X10+5(SRC). According to a classification scheme(2), this estimated Koc value suggests that pristane is expected to be immobile in soil(SRC).
Literature: (1) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.1. Nov, 2012. Available from, as of Nov 7, 2016: http://www2.epa.gov/tsca-screening-tools (2) Swann RL et al; Res Rev 85: 17-28 (1983)
Vapor Pressure
PressureReference
0.0044 mm Hg at 25 deg C (est)US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.1. Nov, 2012. Available from, as of Nov 7, 2016: http://www2.epa.gov/tsca-screening-tools
MS-Links

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
FungiTrichoderma Harzianum T-E5 CCTCC AF2012011n/aZhang et al., 2014
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
FungiTrichoderma Harzianum T-E5 CCTCC AF2012011Minimal mediaSPME/GC-MS


(1R,3E,7E,11R,12R)-4,8,12,15,15-pentamethylbicyclo[9.3.1]pentadeca-3,7-dien-12-ol

Compound Details

Synonymous names
(+)-Verticillol
LMPR0104380001
(1R,11R,14R)-4,8,14,15,15-Pentamethylbicyclo[9.3.1]pentadecane-4,8-diene-14-ol
IUPAC name(1R,3E,7E,11R,12R)-4,8,12,15,15-pentamethylbicyclo[9.3.1]pentadeca-3,7-dien-12-ol
SMILESCC1=CCCC(=CCC2CCC(C(C2(C)C)CC1)(C)O)C
InchiInChI=1S/C20H34O/c1-15-7-6-8-16(2)10-12-18-19(3,4)17(11-9-15)13-14-20(18,5)21/h8-9,17-18,21H,6-7,10-14H2,1-5H3/b15-9+,16-8+/t17-,18+,20+/m0/s1
FormulaC20H34O
PubChem ID15119671
Molweight290.491
LogP5.21
Atoms55
Bonds56
H-bond Acceptor1
H-bond Donor1
Chemical Classification

mVOC Specific Details


Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
FungiTrichoderma Harzianum T-E5 CCTCC AF2012011n/aZhang et al., 2014
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
FungiTrichoderma Harzianum T-E5 CCTCC AF2012011Minimal mediaSPME/GC-MS