Results for:
chemical Classification: alkenes

4-ethenyl-2-methoxyphenol

Compound Details

Synonymous names
2-Methoxy-4-vinylphenol
7786-61-0
4-vinylguaiacol
p-Vinylguaiacol
4-ETHENYL-2-METHOXYPHENOL
4-Hydroxy-3-methoxystyrene
Phenol, 4-ethenyl-2-methoxy-
o-methoxy-p-vinylphenol
para-vinylguaiacol
Guaiacol, 4-vinyl-
p-Vinyl guaiacol
4-vinyl-2-methoxyphenol
Phenol, 2-methoxy-4-vinyl-
4-Hydroxy-3-methoxyvinylbenzene
2-METHOXY-4-VINYL-PHENOL
FEMA No. 2675
3-Methoxy-4-hydroxystyrene
Varamol 106
CCRIS 548
CHEBI:42438
Vinylcatechol-O-methyl ether, P-
UNII-DA069CTH0O
EINECS 232-101-2
2M4VP
DA069CTH0O
Guaiacol, 4-vinyl
BRN 2044521
4-hydroxy-3-methoxyphenylethene
DTXSID7052529
2-(4-hydroxy-3-methoxyphenyl)ethene
2-Methoxy-4-ethenylphenol
Phenol, 2-methoxy-4-ethenyl
Phenol, 4-vinyl, 2-methoxy
CHEMBL1232595
DTXCID8031102
(4-Hydroxy-3-methoxyphenyl)ethene
3-06-00-04981 (Beilstein Handbook Reference)
4-vinyl guaiacol
EUG
Vinyl guaiacol
p-Vinyl guaicol
4-vinylguaiacole
4-Ethenylguaiacol
4-Vinyl-O-guaiacol
2-Methoxy-vinylphenol
31853-85-7
2-Metoxy-4-vinyl-phenol
bmse010071
4-ethenyl-2-methoxy-phenol
SCHEMBL54199
2-?Methoxy-?4-?vinylphenol
BCP27800
Tox21_304024
BDBM50548720
MFCD00015437
AKOS015890494
DB03514
FS-3782
HY-W019940
MCULE-4834642824
2-methoxy-4-vinylphenol (vinylguaiacol)
2-METHOXY-4-VINYLPHENOL [FHFI]
2-Methoxy-4-vinylphenol, >=98%, FG
NCGC00357234-01
Vinylguaiacol (4-vinyl-2-methoxyphenol)
BP-11167
PD006849
CAS-7786-61-0
2-Methoxy-4-vinylphenol (4-vinylguaiacol)
4-Vinyl-2-methoxyphenol (4-vinylguaiacol)
DB-003488
2-Methoxy-4-vinylphenol, analytical standard
4-Vinyl-2-methoxyphenol ( p-vinylguaiacol)
AM20041169
CS-0031749
NS00005168
C17883
EN300-1832370
A839253
Q4596898
W-104295
2-METHOXY-4-VINYLPHENOL (STABILIZED WITH TBC)
4M4
Microorganism:

Yes

IUPAC name4-ethenyl-2-methoxyphenol
SMILESCOC1=C(C=CC(=C1)C=C)O
InchiInChI=1S/C9H10O2/c1-3-7-4-5-8(10)9(6-7)11-2/h3-6,10H,1H2,2H3
FormulaC9H10O2
PubChem ID332
Molweight150.17
LogP2.4
Atoms11
Bonds2
H-bond Acceptor2
H-bond Donor1
Chemical Classificationbenzenoids alkenes alcohols aromatic compounds ethers phenols
CHEBI-ID42438
Supernatural-IDSN0456029

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaLentilactobacillus BuchneriNANASquara et al. 2022
ProkaryotaLacticaseibacillus ParacaseiNANASquara et al. 2022
EukaryotaSaccharomyces EubayanusNANAMardones et al. 2022
EukaryotaSaccharomyces EubayanusNANAUrbina et al. 2020
EukaryotaPhytophthora CinnamomiN/APhytophthora cinnamomiQiu R et al. 2014
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaLentilactobacillus Buchnerimaize silageHS-SPME coupled with GC-TOF MSno
ProkaryotaLacticaseibacillus Paracaseimaize silageHS-SPME coupled with GC-TOF MSno
EukaryotaSaccharomyces EubayanusYPD agar media (yeast extract 1%, peptone 2%, glucose 2% and agar 2%)HS‐SPME‐GC‐MSno
EukaryotaSaccharomyces Eubayanusbeer wortHS-SPME-GC-MSno
EukaryotaPhytophthora CinnamomiV8 juice agarSPME/GC-MS/MSno


Undec-10-enoic Acid

Compound Details

Synonymous names
undecylenic acid
10-UNDECENOIC ACID
Undec-10-enoic acid
112-38-9
Undecenoic acid
Desenex
10-Hendecenoic acid
Renselin
Sevinon
Declid
10-Undecylenic acid
9-Undecylenic acid
Undecyl-10-enic acid
FEMA No. 3247
undecylenate
Kyselina undecylenova
Caswell No. 901
UNDECEN-10-ACID-1
Undecenoic acid, omega-
Undecylenic acid [JAN]
Hendecenoic acid, omega-
omega-undecenoic acid
NSC 2013
omega-hendecenoic acid
10-Henedecenoic acid
CHEBI:35045
undecelinic acid
10-Hendecenoic
10-Undecensaeure
NSC-2013
EINECS 203-965-8
n-Undecylenic acid
UNII-K3D86KJ24N
Undecen-10-saeure
Cruex
EPA Pesticide Chemical Code 085501
BRN 1762631
K3D86KJ24N
Cruex (TN)
Kyselina 9-decen-1-karboxylova
acide 10-undecylique
acido 10-undecenoico
1333-28-4
DTXSID8035001
acide 10-undecanoique
AI3-02065
NSC2013
MFCD00004442
Undecylenic acid (JAN/USP)
Undecylenic acid [USP:JAN]
DTXCID6015001
EC 203-965-8
4-02-00-01612 (Beilstein Handbook Reference)
Undesine
C11:1n-1
NCGC00159425-02
NCGC00159425-04
Undecylenic acid (USP:JAN)
UNDECYLENIC ACID (II)
UNDECYLENIC ACID [II]
UNDECENOIC ACID (MART.)
UNDECENOIC ACID [MART.]
Undecenoicacid
UNDECYLENIC ACID (USP-RS)
UNDECYLENIC ACID [USP-RS]
UNDECYLENIC ACID (EP MONOGRAPH)
UNDECYLENIC ACID [EP MONOGRAPH]
UNDECYLENIC ACID (USP MONOGRAPH)
UNDECYLENIC ACID [USP MONOGRAPH]
96451-28-4
CAS-112-38-9
Kyselina undecylenova [Czech]
10-Undecenoic acid, 98%
Kyselina 9-decen-1-karboxylova [Czech]
Desinex
Micocilen
Tobcharm
HongocuraM
HongocuraS
Antifungal Pen
undecylenic-acid
Remedy Nails
Anti-Fungal Pen
Rite Aid Fungal
Undecylenenic acid
MicocilenAntifungal
Topcare Antifungal
Antifungal Solution
Diabetic Antifungal
Anti-Fungal Liquid
Fungicure LiquidGel
10-Undecenic acid
Antifungal Nail Pen
EINECS 215-583-9
EmoniNail Antifungal
Hongocura Pinceladas
n-UNDECYLENIC ACID (10-1)
Zinc Undecylenate (undecylenic acid)
Anti-Fungal PenCVS
10-undeceneoic acid
Flexitol Anti Fungal
TERPENICOL
Zeta Clear Antifungal
NU CALMAR
HC Max Hongo CuraMS
Undecylenic Acid Liquid
Undecylenic acid, USAN
FungicureMaximum Strength
Premier Value Antifungal
FUNGWAY Fungus Clearing
Anti-Fungal Nail Solution
Good Neighbor Anti-Fungal
Tineacide Physician Formula
Fiore Rx Antifungal ProPen
Sally HansenNo More Fungus
Hongo KillerNail and Fungus
NCIOpen2_002642
UNDECYLENATE [VANDF]
WLN: QV9U1
Direct Naturals Fungus Clear
SCHEMBL17827
UNDECYLENIC ACID [MI]
Pinceladas Para Hongos Navarro
Maximum Strength Antifungal Pen
Diabetic Antifungal Professional
UNDECYLENIC ACID [INCI]
CHEMBL1276010
Myco Nail A Antifungal Solution
UNDECYLENIC ACID [VANDF]
FEMA 3247
Undecylenic acid, >=95%, FG
Undecylenic acid, >=96%, FG
TopCare AntifungalMaximum Strength
UNDECYLENIC ACID [WHO-DD]
HMS2093L21
Pharmakon1600-01505468
Fungicure Anti-Fungal Liquid 25%
Human Science Antifungal Foot Care
10-UNDECENOIC ACID [FHFI]
HY-B0914
PURESKIN FUNGAL NAIL RENEWAL
Tox21_111657
Tox21_300383
BBL027462
BDBM50248304
Fungi Nail Toe and Foot Anti-Fungal
LMFA01030036
NSC759153
Pinceladas Goyescas OriginalFungicide
s9452
STK801548
Dermaced Maximum Strength Anti-Fungal
FUNGINIX ANTI-FUNGAL TREATMENT
maximum strengthantifungal nail liquid
AKOS009031595
Tox21_111657_1
CCG-213461
DB11117
ELON Dual Defense Anti Fungal Formula
MCULE-7928135942
NSC-759153
PB48616
Undecylenic acid; Undec-10-enoic acid
10-Undecenoic acid, analytical standard
Premier Value AntifungalMaximum Strength
Botanimedix OnychoRX Antifungal Nail Gel
ETERNAL SPIRIT BEAUTY FUNGI FRESH
NCGC00159425-03
NCGC00159425-05
NCGC00159425-09
NCGC00254296-01
Undecylenic acid, natural, >=97%, FG
FLUSH Maximum Strength Antifungal formula
NCI60_001670
SBI-0206806.P001
SBI-0206806.P002
CVS Maximum Strength Anti-Fungal Pen 25%
Maximum Strength Antifungal Liquid Solution
Nutra Nail FUNGI FREE Antifungal Treatment
CVS PharmacyAnti-fungal Pen Maximum Strength
NS00009009
U0007
EN300-20666
Fiore Rx Coral Sorbet Antifungal Nail Polish
Pinceladas Goyescas OriginalBrush on Fungicide
10-Undecenoic acid, purum, >=97.0% (GC)
D02159
P19683
AB00630892_02
CVS MAXIMUM STRENGTH ANTI FUNGAL PEN 25
Fiore Rx CranApple Crush Antifungal Nail Polish
Fiore Rx Pixie Dust Pink Antifungal Nail Polish
Fiore Rx Antifungal Nail Lacquer Red Velvet Cake
Fiore Rx Rock Candy Clear Antifungal Nail Lacquer
Q420346
SR-05000002050
10-Undecenoic acid, Vetec(TM) reagent grade, 98%
Fiore Rx Almond Milk Matte Antifungal Nail Lacquer
Fiore Rx Eggplant My Garden Antifungal Nail Polish
Fiore Rx Pink Peppermint Pie Antifungal Nail Polish
RIte AidMaximum Strength Foot Care Anti-fungal Pen
SR-05000002050-1
W-200840
F0001-0258
Z104479700
CVS PharmacyMaximum Strength Antifungal Liquid with Aloe and Vitamin E
Undecylenic acid, United States Pharmacopeia (USP) Reference Standard
10-Undecenoic acid, puriss., meets analytical specification of Ph. Eur., BP, USP, 98-100.5%
InChI=1/C11H20O2/c1-2-3-4-5-6-7-8-9-10-11(12)13/h2H,1,3-10H2,(H,12,13
Microorganism:

Yes

IUPAC nameundec-10-enoic acid
SMILESC=CCCCCCCCCC(=O)O
InchiInChI=1S/C11H20O2/c1-2-3-4-5-6-7-8-9-10-11(12)13/h2H,1,3-10H2,(H,12,13)
FormulaC11H20O2
PubChem ID5634
Molweight184.27
LogP3.9
Atoms13
Bonds9
H-bond Acceptor2
H-bond Donor1
Chemical Classificationalkenes organic acids carboxylic acids
CHEBI-ID39448
Supernatural-IDSN0093708

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaStreptococcus PneumoniaeNANAKaeslin et al. 2021
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaStreptococcus PneumoniaeBHISESI-MSno


Compound Details

Synonymous names
ETHYLENE
Ethene
Acetene
Elayl
Olefiant gas
74-85-1
Athylen
Etileno
9002-88-4
Bicarburretted hydrogen
Liquid ethylene
Ethylene, pure
Caswell No. 436
Aethylen
Aethen
HSDB 168
C2H4
EPA Pesticide Chemical Code 041901
Liquid ethyene
EINECS 200-815-3
CH2=CH2
H2C=CH2
Ethylene (8CI)
Ethylene, compressed
UNII-91GW059KN7
Ethene (9CI)
CHEBI:18153
91GW059KN7
CARBONEUM HYDROGENISATUM
DTXSID1026378
EC 200-815-3
MFCD00084423
UN 1038
UN 1962
Plastipore
ETHYLENE (IARC)
ETHYLENE [IARC]
ETHYLENE (II)
ETHYLENE [II]
R-1150
Athylen [German]
LDPE
Eteno
Ethylene [NF]
UN1038
UN1962
Ethene, 9CI
Ethylene-d3 (gas)
ETHYLENE-CMPD
ETHYLENE [HSDB]
ETHYLENE [MI]
Ethylene, 99.99%
ETHENE (ETHYLENE)
Heavy carburetted hydrogen
Ethylene, >=99.5%
Ethylene, >=99.9%
Ethylene, compressed [UN1962] [Flammable gas]
CHEMBL117822
DTXCID605931
Ethylene, purum, >=99.9%
DTXSID00949506
CMC_13849
AKOS015915514
CARBONEUM HYDROGENISATUM [HPUS]
MCULE-9947181734
Polyethylene, low density, 500 micron
USEPA/OPP Pesticide Code: 041901
Ethylene, Messer(R) CANGas, 99.98%
Ethylene, puriss., >=99.95% (GC)
NS00013981
NS00131932
C06547
C19503
Ethylene, refrigerated liquid (cryogenic liquid)
Ethylene, compressed [UN1962] [Flammable gas]
Q151313
Q27286698
Ethylene, refrigerated liquid (cryogenic liquid) [UN1038] [Flammable gas]
87701-65-3
Microorganism:

Yes

IUPAC nameethene
SMILESC=C
InchiInChI=1S/C2H4/c1-2/h1-2H2
FormulaC2H4
PubChem ID6325
Molweight28.05
LogP1.2
Atoms2
Bonds0
H-bond Acceptor0
H-bond Donor0
Chemical Classificationalkenes
CHEBI-ID18153
Supernatural-IDSN0389473

mVOC Specific Details

Boiling Point
DegreeReference
-103.8 °C peer reviewed
Volatilization
The Henry's Law constant for ethylene is 0.228 atm-cu m/mole(1). This Henry's Law constant indicates that ethylene 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 30 minutes(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 2 days(SRC). Ethylene's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). Ethylene is expected to volatilize from dry soil surfaces(SRC) based upon an estimated vapor pressure of 5.21X10+4 mm Hg(3).
Literature: (1) Wasik SP, Tsang W; J Phys Chem 74: 2970-6 (1970) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (3) Daubert TE, Danner RP; Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, DC: Taylor and Francis (1989)
Soil Adsorption
The Koc of ethylene is estimated as 98(SRC), using a log Kow of 1.13(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that ethylene is expected to have high mobility in soil.
Literature: (1) Hansch C et al; Exploring QSAR. Hydrophobic, Electronic, and Steric Constants. ACS Prof Ref Book. Heller SR, consult. ed., Washington, DC: Amer Chem Soc p. 4 (1995) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 4-9 (1990) (3) Swann RL et al; Res Rev 85: 17-28 (1983)
Vapor Pressure
PressureReference
5.21X10+4 mm Hg at 25 deg C /Extrapolated/Daubert, T.E., R.P. Danner. Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, D.C.: Taylor and Francis, 1989.
MS-Links

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaPseudomonas Solanacearumn/aNAStotzky and Schenck 1976
ProkaryotaStreptomyces Sp.n/aNAStotzky and Schenck 1976
ProkaryotaClostridium Sp.n/aNAStotzky and Schenck 1976
EukaryotaCeratocystis Fimbriatan/aNAStotzky and Schenck 1976
EukaryotaPenicillium Digitatumn/aNAStotzky and Schenck 1976
EukaryotaMucor Hiemalisn/aNAStotzky and Schenck 1976
EukaryotaAspergillus Clavatusn/aNAStotzky and Schenck 1976
EukaryotaBlastomyces Dermatitidisn/aNAStotzky and Schenck 1976
EukaryotaTuber BorchiiInduce alterations in root morphology of the host Cistus incanus and the nonhost Arabidopsis (Arabidopsis thaliana ; i.e. primary root shortening, lateral root formation, root hair stimulation)NASplivallo et al. 2009
EukaryotaTuber MelanosporumInduce alterations in root morphology of the host Cistus incanus and the nonhost Arabidopsis (Arabidopsis thaliana ; i.e. primary root shortening, lateral root formation, root hair stimulation)NASplivallo et al. 2009
Aspergillus NigerKate et al. 2023
Pectobacterium CarotovorumKate et al. 2023
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaPseudomonas Solanacearumn/an/ano
ProkaryotaStreptomyces Sp.n/an/ano
ProkaryotaClostridium Sp.n/an/ano
EukaryotaCeratocystis Fimbriatan/an/ano
EukaryotaPenicillium Digitatumn/an/ano
EukaryotaMucor Hiemalisn/an/ano
EukaryotaAspergillus Clavatusn/an/ano
EukaryotaBlastomyces Dermatitidisn/an/ano
EukaryotaTuber BorchiiMalt extract agar SPME-GC-MSno
EukaryotaTuber MelanosporumMalt extract agar SPME-GC-MSno
Aspergillus Nigerinoculated potato samplesGC-MSno
Pectobacterium Carotovoruminoculated potato samplesGC-MSno


3,5,5-trimethylcyclohex-2-en-1-one

Mass-Spectra

Compound Details

Synonymous names
ISOPHORONE
78-59-1
Isoacetophorone
3,5,5-Trimethylcyclohex-2-en-1-one
Isoforone
Isooctopherone
Isoforon
Izoforon
3,5,5-Trimethyl-2-cyclohexen-1-one
3,5,5-Trimethylcyclohex-2-enone
2-Cyclohexen-1-one, 3,5,5-trimethyl-
Isophoron
alpha-Isophorone
.alpha.-Isophoron
1,1,3-Trimethyl-3-cyclohexene-5-one
3,5,5-Trimethyl-2-cyclohexenone
.alpha.-Isophorone
NCI-C55618
3,5,5-Trimethyl-2-cyclohexen-1-on
FEMA No. 3553
3,5,5-Trimetil-2-cicloesen-1-one
Isophorone, 97%
NSC 403657
3,5,5-Trimethyl-2-cyclohexene-1-one
2BR99VR6WA
DTXSID8020759
CHEBI:34800
NSC4881
3,5,5-Trimethylcyclohexen-2-one-1
3,3,5-Trimethyl-2-cyclohexen-1-one
NSC-403657
Izoforon [Polish]
DTXCID40759
3,5-Trimethyl-2-cyclohexenone
Isoforone [Italian]
Caswell No. 506
3,5-Trimetil-2-cicloesen-1-one
3,5-Trimethyl-2-cyclohexen-1-one
1,3-Trimethyl-3-cyclohexene-5-one
3,5-Trimethyl-2-cyclohexene-1-one
WLN: L6V BUTJ C1 D1 D1
2-Cyclohexen-1-one,5,5-trimethyl-
CAS-78-59-1
CCRIS 1353
HSDB 619
ISOPHORONE, REAG
EINECS 201-126-0
3,5-Trimethyl-2-cyclohexen-1-on (GERMAN, DUTCH)
UNII-2BR99VR6WA
EPA Pesticide Chemical Code 047401
BRN 1280721
3,5,5-Trimethylcyclohexenone
a-Isophorone
AI3-00046
3,5,5-Trimethylcyclohexen one
alpha -isophoron
alpha -isophorone
3,5,5-Trimetil-2-cicloesen-1-one [Italian]
ISOACETOPHORON
nchem.180-comp3
3,5,5-Trimethyl-2-cyclohexen-1-on [German, Dutch]
1,5,5-Trimethyl-1-cyclohexen-3-one
ISOPHORONE [MI]
ISOPHORONE [FHFI]
ISOPHORONE [HSDB]
EC 201-126-0
SCHEMBL22522
Isophorone, >=97%, FG
4-07-00-00165 (Beilstein Handbook Reference)
BIDD:ER0627
Isophorone, analytical standard
CHEMBL1882894
FEMA 3553
3,5,5-trimethyl-cyclohex-2-enone
HY-Y0932
NSC-4881
Tox21_202312
Tox21_300050
BBL027346
MFCD00001584
NSC403657
s2998
STK801792
AKOS000120392
AKOS025243269
3,5,5-trimethylcyclohex-2-ene-1-one
3,5,5-trimethylcyclohexa-2-en-1-one
MCULE-5564101474
3,3,5-trimethyl-cyclohex-5-en-1-one
3,5,5-trimethyl-cyclohex-2-en-1-one
1,1, 3-Trimethyl-3-cyclohexene-5-one
1,3,3-TRIMETHYLCYLOHEXEN-5-ONE
3,5, 5-Trimethyl-2-cyclohexene-1-one
NCGC00164006-01
NCGC00164006-02
NCGC00164006-03
NCGC00254115-01
NCGC00259861-01
3,3,5-trimethyl-cyclohex-5 -en-1-one
AC-10580
VS-08530
1,5,5-TRIMETHYL-3-OXOCYCLOHEXENE
Isophorone, Vetec(TM) reagent grade, 97%
CS-0015924
I0151
NS00005755
EN300-20384
D72515
A839454
Q415519
W-104274
F0001-2053
Z104477948
InChI=1/C9H14O/c1-7-4-8(10)6-9(2,3)5-7/h4H,5-6H2,1-3H
Microorganism:

Yes

IUPAC name3,5,5-trimethylcyclohex-2-en-1-one
SMILESCC1=CC(=O)CC(C1)(C)C
InchiInChI=1S/C9H14O/c1-7-4-8(10)6-9(2,3)5-7/h4H,5-6H2,1-3H3
FormulaC9H14O
PubChem ID6544
Molweight138.21
LogP1.6
Atoms10
Bonds0
H-bond Acceptor1
H-bond Donor0
Chemical Classificationalkenes ketones
CHEBI-ID34800
Supernatural-IDSN0127424

mVOC Specific Details

Boiling Point
DegreeReference
215.32 °C peer reviewed
Volatilization
The Henry's Law constant for isophorone is estimated as 6.6X10-6 atm-cu m/mole(SRC) derived from its vapor pressure, 0.438 mm Hg(1), and water solubility, 12,000 mg/l(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 7 days(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 52 days(SRC). Isophorone's estimated Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). Isophorone is not expected to volatilize from dry soil surfaces(SRC) based upon its vapor pressure(1).
Literature: (1) Daubert TE, Danner RP; Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, DC: Taylor and Francis (1989) (2) Parrish CF; Kirk-Othmer Encycl Chem Tech 3rd; NY, NY: Wiley-Intrsci 21: 377-401 (1983) (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 isophorone is estimated as 200(SRC), using a log Kow of 1.7(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that isophorone is expected to have moderate mobility in soil.
Literature: (1) Veith GD et al; pp. 116-29 in Aquatic Toxicology. Easton JG et al, eds. Amer Soc Test Mat ASTM STP 707 (1980) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 4-9 (1990) (3) Swann RL et al; Res Rev 85: 17-28 (1983)
Vapor Pressure
PressureReference
0.438 mm Hg @ 25 deg CDaubert, T.E., R.P. Danner. Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, D.C.: Taylor and Francis, 1989.
MS-Links
Massbank-Links
Massbank Spectrum MSBNK-Athens_Univ-AU250701
Massbank Spectrum MSBNK-Athens_Univ-AU250706
Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP000946
Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP006059
Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP006123
Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP006953
Massbank Spectrum MSBNK-NaToxAq-NA000036
Massbank Spectrum MSBNK-NaToxAq-NA000037
Massbank Spectrum MSBNK-NaToxAq-NA000038
Massbank Spectrum MSBNK-NaToxAq-NA000039
Massbank Spectrum MSBNK-NaToxAq-NA000040
Massbank Spectrum MSBNK-NaToxAq-NA000041
Massbank Spectrum MSBNK-NaToxAq-NA000042
Massbank Spectrum MSBNK-NaToxAq-NA000043
Massbank Spectrum MSBNK-NaToxAq-NA000044
Massbank Spectrum MSBNK-NaToxAq-NA000045
Massbank Spectrum MSBNK-NaToxAq-NA000046
Massbank Spectrum MSBNK-NaToxAq-NA000047
Massbank Spectrum MSBNK-NaToxAq-NA000048
Massbank Spectrum MSBNK-NaToxAq-NA000049
Massbank Spectrum MSBNK-NaToxAq-NA000050
Massbank Spectrum MSBNK-NaToxAq-NA000051
Massbank Spectrum MSBNK-NaToxAq-NA000052
Massbank Spectrum MSBNK-NaToxAq-NA000053
Massbank Spectrum MSBNK-NaToxAq-NA000054
Massbank Spectrum MSBNK-NaToxAq-NA000055
Massbank Spectrum MSBNK-NaToxAq-NA000056
Massbank Spectrum MSBNK-NaToxAq-NA000057
Massbank Spectrum MSBNK-NaToxAq-NA000058
Massbank Spectrum MSBNK-NaToxAq-NA000059
Massbank Spectrum MSBNK-NaToxAq-NA000060
Massbank Spectrum MSBNK-NaToxAq-NA000061
Massbank Spectrum MSBNK-NaToxAq-NA000062
Massbank Spectrum MSBNK-NaToxAq-NA000063
Massbank Spectrum MSBNK-NaToxAq-NA000064
Massbank Spectrum MSBNK-NaToxAq-NA000065
Massbank Spectrum MSBNK-NaToxAq-NA002581
Massbank Spectrum MSBNK-NaToxAq-NA002582
Massbank Spectrum MSBNK-NaToxAq-NA002583
Massbank Spectrum MSBNK-NaToxAq-NA002584
Massbank Spectrum MSBNK-NaToxAq-NA002585
Massbank Spectrum MSBNK-NaToxAq-NA002969
Massbank Spectrum MSBNK-NaToxAq-NA002970
Massbank Spectrum MSBNK-NaToxAq-NA002971
Massbank Spectrum MSBNK-NaToxAq-NA002972
Massbank Spectrum MSBNK-NaToxAq-NA002973
Massbank Spectrum MSBNK-NaToxAq-NA003344
Massbank Spectrum MSBNK-NaToxAq-NA003345
Massbank Spectrum MSBNK-NaToxAq-NA003346
Massbank Spectrum MSBNK-NaToxAq-NA003347
Massbank Spectrum MSBNK-NaToxAq-NA003348
Massbank Spectrum MSBNK-NaToxAq-NA003714
Massbank Spectrum MSBNK-NaToxAq-NA003715
Massbank Spectrum MSBNK-NaToxAq-NA003716
Massbank Spectrum MSBNK-NaToxAq-NA003717
Massbank Spectrum MSBNK-NaToxAq-NA003718
Massbank Spectrum MSBNK-UFZ-WANA126801AD6CPH
Massbank Spectrum MSBNK-UFZ-WANA126803B085PH
Massbank Spectrum MSBNK-UFZ-WANA126805070APH
Massbank Spectrum MSBNK-UFZ-WANA126811C9CFPH
Massbank Spectrum MSBNK-UFZ-WANA126813D9F1PH
Massbank Spectrum MSBNK-UFZ-WANA1268155BE0PH
Massbank Spectrum MSBNK-UFZ-WANA1268213166PH
Massbank Spectrum MSBNK-UFZ-WANA1268237762PH
Massbank Spectrum MSBNK-UFZ-WANA126825AF82PH

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaOscillatoria Perornatan/aNASchulz and Dickschat 2007
Lactobacillus PlantarumZhang et al. 2023
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaOscillatoria Perornatan/an/ano
Lactobacillus PlantarumHabanero pepperGC–IMSno


2-methylbuta-1,3-diene

Mass-Spectra

Compound Details

Synonymous names
ISOPRENE
78-79-5
2-Methyl-1,3-butadiene
2-Methylbuta-1,3-diene
Isopentadiene
2-Methylbutadiene
2-Methyldivinyl
1,3-Butadiene, 2-methyl-
beta-Methylbivinyl
isopreno
isoterpene
Isopren
3-Methyl-1,3-butadiene
CH2=C(CH3)CH=CH2
.beta.-Methylbivinyl
NSC 9237
Naturalrubber
CCRIS 6253
HSDB 620
EINECS 201-143-3
UNII-0A62964IBU
9003-31-0
9006-04-6
DTXSID2020761
NATURAL RUBBER
CHEBI:35194
0A62964IBU
NSC-9237
DTXCID20761
NSC9237
EC 201-143-3
ISOPRENE (IARC)
ISOPRENE [IARC]
Rubber, natural
UN1218
Caoutchouc
Elastomers
Ebonite
Heveaplus
Impervia
Rubber
Latex particles
Nafka
Natural latex
India rubber
Nafka kristalgom
Dynatex LA
Dynatex GTZ
Thiokol NVT
LATZ latex
2-methyl-butadiene
Isoprene, inhibited
Harub 5LV
Heveacrumb SMR 5L
2-methyl-1
Lorival R 25
Hartex 102HR
Cartex 600
Fultite FB 010K
Fultite FB 520
Hartex 103
Fultite FB 3001
Iotex C 60
Isoprene, >=99%
Kagetex FA 2005
ISOPRENE [HSDB]
E 218 (rubber)
Mitsuwa RC paper Cement
ISOPRENE [MI]
Defo 700
Elastic materials, rubber
UNII-2LQ0UUW8IN
Lotol L 9241
2LQ0UUW8IN
Be Be Tex 1223
bmse000844
Defo 1000
ISNA 5
2-methyl-buta-1,3-diene
AMA 7
CSV 1
Isoprene, analytical standard
Mar DR 1135
68877-32-7
UN 1218 (Salt/Mix)
DRC 60
CHEMBL1566132
Isoprene (Stabilized with TBC)
WLN: 1UY1&1U1
HSDB 6772
DTXSID60185761
GLN 200
GNL 150
Isoprene (1 mg/mL in Methanol)
JLX 105
JLX 113
KDP 150
CV 50
CV 60
IR 25
IR 68
AMY37001
EINECS 232-689-0
Tox21_200067
5L-TP0203
CS 700
HC 106
MFCD00008600
AKOS000119971
CCG-266006
FB 3001
CAS-78-79-5
NCGC00091078-01
NCGC00091078-02
NCGC00257621-01
PD088096
I0160
NS00001388
EN300-19669
Q271943
Isoprene, inhibited [UN1218] [Flammable liquid]
J-509898
InChI=1/C5H8/c1-4-5(2)3/h4H,1-2H2,3H
Z104474660
Isoprene, 99%, contains <1000 ppm p-tert-butylcatechol as inhibitor
26796-44-1
9041-65-0
Microorganism:

Yes

IUPAC name2-methylbuta-1,3-diene
SMILESCC(=C)C=C
InchiInChI=1S/C5H8/c1-4-5(2)3/h4H,1-2H2,3H3
FormulaC5H8
PubChem ID6557
Molweight68.12
LogP2.5
Atoms5
Bonds1
H-bond Acceptor0
H-bond Donor0
Chemical Classificationalkadienes alkenes
CHEBI-ID35194
Supernatural-IDSN0333145

mVOC Specific Details

Boiling Point
DegreeReference
34.067 °C peer reviewed
Volatilization
The Henry's Law constant for isoprene is estimated as 0.077 atm-cu m/mole(SRC) derived from its vapor pressure, 550 mm Hg(1), and water solubility, 642 mg/L(2). This Henry's Law constant indicates that isoprene 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 2.4 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 3.3 days(SRC). Isoprene's estimated Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). The potential for volatilization of isoprene from dry soil surfaces may exist(SRC) based upon its vapor pressure(1).
Literature: (1) Zwolinski BJ, Wilhoit RC; Handbook of Vapor Pressures and Heats of Formation of Hydrocarbons and Related Compounds. API44-TRC101 College Station, TX: Thermodynamics Res Ctr p. 48 (1971) (2) McAuliffe C; J Phys Chem 70: 1267-75 (1966) (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 isoprene is estimated as 61(SRC), using a log Kow of 2.42(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that isoprene is expected to have high mobility in soil.
Literature: (1) Chemicals Inspection and Testing Institute. Japan Chemical Industry Ecology - Toxicology and Information Center. ISBN 4-89074-101-1 (1992) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 4-9 (1990) (3) Swann RL et al; Res Rev 85: 17-28 (1983)
Vapor Pressure
PressureReference
550 mm Hg at 25 deg CZwolinski BJ, Wilhoit RC; Handbook of Vapor Pressures and Heats of Vaporization of Hydrocarbons and Related Compounds. API44-TRC101 College Station, TX: Thermodynamics Res Ctr p. 48 (1971)
Massbank-Links

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaBurkholderia CepaciaNANADryahina et al. 2016
ProkaryotaEnterococcus FaecalisNANAThorn et al. 2011
ProkaryotaEscherichia ColiNANAThorn et al. 2011
ProkaryotaProteus MirabilisNANAThorn et al. 2011
ProkaryotaPseudomonas AeruginosaNANAThorn et al. 2011
ProkaryotaPseudomonas AeruginosaNANADryahina et al. 2016
ProkaryotaStaphylococcus AureusNANADryahina et al. 2016
ProkaryotaStenotrophomonas MaltophiliaNANADryahina et al. 2016
EukaryotaAspergillus FumigatusNANAHeddergott et al. 2014
ProkaryotaEscherichia ColiNANAKuzma et al. 1995
ProkaryotaEscherichia ColiNANABoots et al. 2014
ProkaryotaHaemophilus InfluenzaeNANAFilipiak et al. 2012
ProkaryotaKlebsiella PneumoniaeNANABoots et al. 2014
ProkaryotaPseudomonas AeruginosaNANAKuzma et al. 1995
ProkaryotaPseudomonas AeruginosaNANABoots et al. 2014
ProkaryotaPseudomonas AeruginosaNANAFilipiak et al. 2012
ProkaryotaBacillus Subtilisgrowth stimulation effects on Solanum tuberosum tubers (potato) and Zea mays seeds (maize)NAMülner et al. 2020
ProkaryotaBacillus AtrophaeusLeibnitz Institute DSMZ-German Collection of Microorganisms and Cell Cultures GmbHMülner et al. 2020
ProkaryotaBacillus VelezensisNAMülner et al. 2020
ProkaryotaBacillus PumilusLeibnitz Institute DSMZ-German Collection of Microorganisms and Cell Cultures GmbHMülner et al. 2020
ProkaryotaBacillus PumilusNAMülner et al. 2020
EukaryotaChaetomium IndicumNAMoisan et al. 2021
ProkaryotaPedobacter Sp.narhizosphere of Marram grass in sandy dune soils, NetherlandsGarbeva et al. 2014
EukaryotaTuber Mesentericumn/aFortywoodland of the Basilicata regionMauriello et al. 2004
EukaryotaTuber Borchiin/aFortywoodland of the Basilicata regionMauriello et al. 2004
ProkaryotaBurkholderia Sp.bacterial interationsrhizosphere and bulk soil of Carex arenariaTyc et al. 2017
ProkaryotaPaenibacillus Sp.bacterial interationsrhizosphere and bulk soil of Carex arenariaTyc et al. 2017
ProkaryotaStreptomyces Albidoflavusn/aNASchöller et al. 2002
ProkaryotaStreptomyces Sp.n/aNASchöller et al. 2002
ProkaryotaStreptomyces Rishiriensisn/aNASchöller et al. 2002
ProkaryotaStreptomyces Antibioticusn/aNASchöller et al. 2002
ProkaryotaStreptomyces Aureofaciensn/aNASchöller et al. 2002
ProkaryotaStreptomyces Coelicolorn/aNASchöller et al. 2002
ProkaryotaStreptomyces Diastatochromogenesn/aNASchöller et al. 2002
ProkaryotaStreptomyces Griseusn/aNASchöller et al. 2002
ProkaryotaStreptomyces Hirsutusn/aNASchöller et al. 2002
ProkaryotaStreptomyces Hygroscopicusn/aNASchöller et al. 2002
ProkaryotaStreptomyces Murinusn/aNASchöller et al. 2002
ProkaryotaStreptomyces Thermoviolaceusn/aNASchöller et al. 2002
ProkaryotaStreptomyces Sp.n/aNASchulz and Dickschat 2007
ProkaryotaBacillus Sp.n/aNASchulz and Dickschat 2007
ProkaryotaPseudonocardia Sp.n/aNASchulz and Dickschat 2007
ProkaryotaSaccharomonospora Sp.n/aNASchulz and Dickschat 2007
ProkaryotaThermoactinomyces Sp.n/aNASchulz and Dickschat 2007
ProkaryotaThermomonospora Sp.n/aNASchulz and Dickschat 2007
ProkaryotaBacillus Amyloliquefaciensn/aNALee et al. 2012
ProkaryotaBacillus Subtilisn/aNALee et al. 2012
ProkaryotaPaenibacillus Polymyxan/aNALee et al. 2012
ProkaryotaPseudomonas Putidaprotection against heat stress, stabilizes cell membranes in response to heat stressnaSchöller et al. 1997
ProkaryotaPseudomonas Fluorescensprotection against heat stress, stabilizes cell membranes in response to heat stresssoil, water, plantsSchöller et al. 1997
ProkaryotaPseudomonas Aeruginosaprotection against heat stress, stabilizes cell membranes in response to heat stresssoil, water, skin floraSchöller et al. 1997
ProkaryotaSerratia Liquefaciensprotection against heat stress, stabilizes cell membranes in response to heat stresssoil, water, plants; digestive tracts of rodents, insects, fish, humansSchöller et al. 1997
ProkaryotaEnterobacter Cloacaeprotection against heat stress, stabilizes cell membranes in response to heat stressubiquitary,intestinalSchöller et al. 1997
ProkaryotaPseudonocardia Thermophilaprotection against heat stress, stabilizes cell membranes in response to heat stresssoilWilkins 1996
ProkaryotaSaccharomonospora Rectivirgulaprotection against heat stress, stabilizes cell membranes in response to heat stresssoilWilkins 1996
ProkaryotaSaccharomonospora Viridisprotection against heat stress, stabilizes cell membranes in response to heat stresssoilWilkins 1996
ProkaryotaThermoactinomyces Vulgarisprotection against heat stress, stabilizes cell membranes in response to heat stresssoilWilkins 1996
ProkaryotaThermomonospora Fuscaprotection against heat stress, stabilizes cell membranes in response to heat stresssoilWilkins 1996
ProkaryotaStreptomyces Griseusprotection against heat stress, stabilizes cell membranes in response to heat stresssoilWilkins 1996
ProkaryotaStreptomyces Sp.protection against heat stress, stabilizes cell membranes in response to heat stressbreathing zone of a waste collection workerWilkins 1996
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaBurkholderia CepaciaNBSIFT-MSno
ProkaryotaBurkholderia CepaciaMHBSIFT-MSno
ProkaryotaBurkholderia CepaciaBHISIFT-MSno
ProkaryotaEnterococcus FaecalisTYESIFT-MSno
ProkaryotaEscherichia ColiTYESIFT-MSno
ProkaryotaProteus MirabilisTYESIFT-MSno
ProkaryotaPseudomonas AeruginosaTYESIFT-MSno
ProkaryotaPseudomonas AeruginosaBHISIFT-MSno
ProkaryotaPseudomonas AeruginosaNBSIFT-MSno
ProkaryotaPseudomonas AeruginosaMHBSIFT-MSno
ProkaryotaStaphylococcus AureusBHISIFT-MSno
ProkaryotaStaphylococcus AureusNBSIFT-MSno
ProkaryotaStaphylococcus AureusMHBSIFT-MSno
ProkaryotaStenotrophomonas MaltophiliaBHISIFT-MSno
ProkaryotaStenotrophomonas MaltophiliaNBSIFT-MSno
ProkaryotaStenotrophomonas MaltophiliaMHBSIFT-MSno
EukaryotaAspergillus FumigatusBrianSPME/GC-MSno
ProkaryotaEscherichia ColiM9 minimal glucose + 1% tryptoneTD/GC-MSno
ProkaryotaEscherichia Colimodified Schaeffer's sporulationTD/GC-MSno
ProkaryotaEscherichia ColiLuria-BertaniTD/GC-MSno
ProkaryotaEscherichia ColiM9 minimal glucoseTD/GC-MSno
ProkaryotaEscherichia ColiMueller–HintonTD/GC-MSno
ProkaryotaHaemophilus InfluenzaeTryptic soya supp. factors X&VTD/GC-MSno
ProkaryotaKlebsiella PneumoniaeMueller–HintonTD/GC-MSno
ProkaryotaPseudomonas Aeruginosamodified Schaeffer's sporulationTD/GC-MSno
ProkaryotaPseudomonas AeruginosaM9 minimal glucoseTD/GC-MSno
ProkaryotaPseudomonas AeruginosaM9 minimal glucose + 1% tryptoneTD/GC-MSno
ProkaryotaPseudomonas AeruginosaLuria-BertaniTD/GC-MSno
ProkaryotaPseudomonas AeruginosaMueller–HintonTD/GC-MSno
ProkaryotaPseudomonas Aeruginosatryptic soy brothTD/GC-MSno
ProkaryotaBacillus Subtilisnutrient agarHS-SPME/GC-MSno
ProkaryotaBacillus Atrophaeusnutrient agarHS-SPME/GC-MSno
ProkaryotaBacillus Velezensisnutrient agarHS-SPME/GC-MSno
ProkaryotaBacillus Pumilusnutrient agarHS-SPME/GC-MSno
EukaryotaChaetomium Indicum1/5th PDA mediumGC-MSno
ProkaryotaPedobacter Sp.sand containing artificial root exudatesGC/MSno
EukaryotaTuber Mesentericumn/amicroextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)no
EukaryotaTuber Borchiin/amicroextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)no
ProkaryotaBurkholderia Sp.TSBAGC-Q-TOFno
ProkaryotaPaenibacillus Sp.TSBAGC-Q-TOFno
ProkaryotaStreptomyces AlbidoflavusEmmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MSno
ProkaryotaStreptomyces Sp.Emmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MSno
ProkaryotaStreptomyces RishiriensisEmmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MSno
ProkaryotaStreptomyces AntibioticusEmmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MSno
ProkaryotaStreptomyces AureofaciensEmmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MSno
ProkaryotaStreptomyces CoelicolorEmmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MSno
ProkaryotaStreptomyces DiastatochromogenesEmmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MSno
ProkaryotaStreptomyces GriseusEmmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MSno
ProkaryotaStreptomyces HirsutusEmmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MSno
ProkaryotaStreptomyces HygroscopicusEmmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MSno
ProkaryotaStreptomyces MurinusEmmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MSno
ProkaryotaStreptomyces ThermoviolaceusEmmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MSno
ProkaryotaStreptomyces Sp.n/an/ano
ProkaryotaBacillus Sp.n/an/ano
ProkaryotaPseudonocardia Sp.n/an/ano
ProkaryotaSaccharomonospora Sp.n/an/ano
ProkaryotaThermoactinomyces Sp.n/an/ano
ProkaryotaThermomonospora Sp.n/an/ano
ProkaryotaBacillus AmyloliquefaciensTryptic soy agarSPME coupled with GC-MSno
ProkaryotaBacillus SubtilisTryptic soy agarSPME coupled with GC-MSno
ProkaryotaPaenibacillus PolymyxaTryptic soy agarSPME coupled with GC-MSno
ProkaryotaPseudomonas PutidaAB medium + 1% citrate or 0,02% citrate or 1% glucose +1% casaminoacid GC-FID,GC/MSno
ProkaryotaPseudomonas FluorescensAB medium + 1% citrateGC-FID,GC/MSno
ProkaryotaPseudomonas AeruginosaAB medium + 1% citrateGC-FID,GC/MSno
ProkaryotaSerratia LiquefaciensAB medium + 1% citrateGC-FID,GC/MSno
ProkaryotaEnterobacter CloacaeAB medium + 1% citrateGC-FID,GC/MSno
ProkaryotaPseudonocardia ThermophilaNutrient agar CM3GC/MSno
ProkaryotaSaccharomonospora RectivirgulaNutrient agar CM3GC/MSno
ProkaryotaSaccharomonospora ViridisNutrient agar CM3GC/MSno
ProkaryotaThermoactinomyces VulgarisNutrient agar CM3GC/MSno
ProkaryotaThermomonospora FuscaNutrient agar CM3GC/MSno
ProkaryotaStreptomyces GriseusNutrient agar CM3GC/MSno
ProkaryotaStreptomyces Sp.Nutrient agar CM3 + 50mg/l actidioneGC/MSno


2-methylprop-2-enal

Compound Details

Synonymous names
METHACROLEIN
78-85-3
Methacrylaldehyde
2-Methyl-2-propenal
2-Methylacrolein
2-Propenal, 2-methyl-
Isobutenal
2-Methylprop-2-enal
2-Methylpropenal
Acrolein, 2-methyl-
Methylacrylaldehyde
2-Methylenepropanal
Methacrylic aldehyde
Methakrylaldehyd
Methacrolein (stabilized with HQ)
.alpha.-Methacrolein
.alpha.-Methylacrolein
NSC 8260
2-methyl-propenal
9HRB24892H
NSC-8260
alpha-Methylacrolein
HSDB 182
Methakrylaldehyd [Czech]
MFCD00006974
2-Methylpropenal [Czech]
CCRIS 1153
EINECS 201-150-1
UN2396
BRN 1209258
methacroleine
Methacraldehyde
UNII-9HRB24892H
AI3-37779
2-Methylacrylaldehyde
Methacrolein, 95%
METHACRYALDEHYDE
2-Methylacrylaldehyde #
2-METHYL PROPENAL
METHACROLEIN [HSDB]
Methacrylaldehyde, inhibited
CH2=C(CH3)CHO
2-FORMYL-1-PROPENE
WLN: VHY1&U1
4-01-00-03455 (Beilstein Handbook Reference)
UN 2396 (Salt/Mix)
CHEMBL4063095
DTXSID0052540
CHEBI:88384
NSC8260
.ALPHA.-METHYLACRYLALDEHYDE
AMY28760
AKOS000119839
M0078
NS00022801
EN300-19749
H10713
Methacrolein (Stabilized with 1% Hydroquinone)
A839511
Q420234
InChI=1/C4H6O/c1-4(2)3-5/h3H,1H2,2H
Methacrolein (Stabilized with 1per cent Hydroquinone)
F2191-0163
Methacrylaldehyde, inhibited [UN2396] [Flammable liquid]
Microorganism:

Yes

IUPAC name2-methylprop-2-enal
SMILESCC(=C)C=O
InchiInChI=1S/C4H6O/c1-4(2)3-5/h3H,1H2,2H3
FormulaC4H6O
PubChem ID6562
Molweight70.09
LogP0.7
Atoms5
Bonds1
H-bond Acceptor1
H-bond Donor0
Chemical Classificationaldehydes alkenes
CHEBI-ID88384
Supernatural-IDSN0354913

mVOC Specific Details

Boiling Point
DegreeReference
68.4 °C peer reviewed
Volatilization
The Henry's Law constant for methacrolein is estimated as 1.9X10-4 atm-cu m/mole(SRC) from its experimental values for vapor pressure, 155 mm Hg(1), and water solubility, 50,000 mg/l(2). This value indicates that methacrolein will volatilize from water surfaces(3,SRC). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec) is estimated as approximately 5 hours(3,SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec) is estimated as approximately 4 days(3,SRC). Methacrolein's high vapor pressure(1) and Henry's Law constant(1,2,SRC) indicate that volatilization from dry and moist soil may occur(SRC).
Soil Adsorption
The Koc of methacrolein is estimated as approximately 11.3(SRC), using an experimental water solubility of 50,000 mg/L(1) and a regression-derived equation(2,SRC). According to a recommended classification scheme(3), this estimated Koc value suggests that methacrolein has very high mobility in soil(SRC).

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaStreptococcus PneumoniaeNANAFilipiak et al. 2012
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaStreptococcus PneumoniaeTryptic soyaTD/GC-MSno


But-3-en-2-one

Compound Details

Synonymous names
METHYL VINYL KETONE
3-Buten-2-one
78-94-4
but-3-en-2-one
Butenone
Vinyl methyl ketone
Methylene acetone
2-Butenone
Methylvinylketon
Acetyl ethylene
1-Buten-3-one
3-Butene-2-one
Methyl ethenyl ketone
Methylvinyl ketone
Methylvinylketone
3-Butenone-2
Acetone, methylene-
Ketone, methyl vinyl
gamma-Oxo-alpha-butylene
Methyl-vinyl-cetone
3-oxo-1-butene
but-1-en-3-one
methylvinylcetone
3-Oxobutene
NSC 4853
UN1251
CHEBI:48058
Delta(3)-2-butenone
CH2=CHCOCH3
25038-87-3
AR7642I1MP
CHEMBL1600824
DTXSID3025671
NSC-4853
MFCD00008777
Methgl vinyl ketone
Methylvinylketon [German]
delta(sup 3)-2-Butenone
Methyl-vinyl-cetone [French]
CCRIS 3423
HSDB 716
EINECS 201-160-6
UNII-AR7642I1MP
AI3-16048
3-butenone
methyl vinylketone
methyl-vinylketone
methylvinyl-ketone
but-3-enone
buten-2-one
g-oxo-a-Butylene
metyl vinyl ketone
3-oxo-l-butene
methly vinyl ketone
methyl-vinyl-ketone
1-butene-3-one
3-Butenen-2-one
1-Propen-3-one
3-oxo-but-1-ene
EC 201-160-6
.DELTA.3-2-BUTENONE
.gamma.-Oxo-.alpha.-butylene
DTXCID205671
Methyl vinyl ketone, stabilised
Methyl vinyl ketone, stabilized
WLN: 1V1U1
METHYL VINYL KETONE [MI]
NSC4853
BCP24759
Tox21_200363
BDBM50245462
LMFA12000018
STL299803
.DELTA.-OXO-.ALPHA.-BUTYLENE
AKOS000120352
UN 1251
UN-1251
CAS-78-94-4
NCGC00091118-01
NCGC00091118-02
NCGC00257917-01
M0460
NS00004153
3-Buten-2-one, purum, >=95.0% (GC)
EN300-19794
C20701
F71092
M-6580
Q417525
InChI=1/C4H6O/c1-3-4(2)5/h3H,1H2,2H
Methyl vinyl ketone, stabilized [UN1251] [Poison]
3-Buten-2-one (90%) (Stabilized with <1% Hydroquinone)
3-Buten-2-one, contains 0.3-1.0% hydroquinone as stabilizer, technical grade, 90%
3-Buten-2-one, contains 0.5% hydroquinone and 0.1% acetic acid as stabilizer, 99%
Microorganism:

Yes

IUPAC namebut-3-en-2-one
SMILESCC(=O)C=C
InchiInChI=1S/C4H6O/c1-3-4(2)5/h3H,1H2,2H3
FormulaC4H6O
PubChem ID6570
Molweight70.09
LogP0.5
Atoms5
Bonds1
H-bond Acceptor1
H-bond Donor0
Chemical Classificationketones alkenes
CHEBI-ID48058
Supernatural-IDSN0096052

mVOC Specific Details

Boiling Point
DegreeReference
81.4 °C peer reviewed
Volatilization
The Henry's Law constant for methyl vinyl ketone is 4.65X10-5 atm-cu m/mole(1). This Henry's Law constant indicates that methyl vinyl ketone 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 18 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 8.1 days(SRC). Methyl vinyl ketone's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). Methyl vinyl ketone is expected to volatilize from dry soil surfaces(SRC) based upon an estimated vapor pressure of 152 mm Hg(SRC), determined from a fragment constant method(3).
Soil Adsorption
Using a structure estimation method based on molecular connectivity indices(1), the Koc of methyl vinyl ketone can be estimated to be 3.8(SRC). According to a classification scheme(2), this estimated Koc value suggests that methyl vinyl ketone is expected to have very high mobility in soil.
Massbank-Links

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaPseudomonas AeruginosaNANABean et al. 2016
ProkaryotaStaphylococcus EpidermidisAmerican Type Culture CollectionJenkins and Bean 2020
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaPseudomonas AeruginosaLB-LennoxSPME/GC-MSno
ProkaryotaStaphylococcus EpidermidisBHI media, LB mediaHS-SPME/GC×GC-TOFMSno


Prop-2-enoic Acid

Mass-Spectra

Compound Details

Synonymous names
ACRYLIC ACID
2-Propenoic acid
79-10-7
prop-2-enoic acid
Vinylformic acid
Propenoic acid
Acroleic acid
Ethylenecarboxylic acid
Propene acid
ACRYLATE
Propenoate
Glacial acrylic acid
9003-01-4
Kyselina akrylova
Acrylic acid, glacial
RCRA waste number U008
Acide acrylique
Acido acrilio
Caswell No. 009A
Carbopol 934p
Viscalex HV 30
NSC 4765
CCRIS 737
Acrylic resin
HSDB 1421
UNII-J94PBK7X8S
EINECS 201-177-9
J94PBK7X8S
Carbopol 940
BRN 0635743
ACRLYLIC ACID
DTXSID0039229
CHEBI:18308
AI3-15717
NSC-4765
DTXCID8028
Aron
Antiprex A
Versicol E9
NSC4765
EC 201-177-9
Acrylic acid resin
ACRYLIC ACID (13C3)
Acrysol ase-75
C3:1n-1
Versicol E 7
Versicol E15
4-02-00-01455 (Beilstein Handbook Reference)
Acrysol A 1
Acrysol A 3
Acrysol A 5
Acrysol A-1
Acrysol AC 5
Carbopol 960
Carboset 515
Primal Ase 60
Revacryl A191
Versicol K 11
Versicol S 25
Dispex C40
Acrysol WS-24
Cyguard 266
Joncryl 678
Jurimer AC 10H
Jurimer AC 10P
Nalfloc 636
Good-rite K 37
Revacryl A 191
Junlon 110
Viscon 103
Good-rite K 702
Good-rite K 732
Good-rite WS 801
NCGC00166246-01
Poly(acrylic acid), 25% soln in water
Synthemul 90-588
Aron A 10H
Carboset Resin No. 515
ACRYLIC ACID (IARC)
ACRYLIC ACID [IARC]
OLD 01
PA 11M
PAA-25
Carbopol
P 11H
P-11H
WS 24
Acido acrilio [Spanish]
Acide acrylique [French]
WS 801
Kyselina akrylova [Czech]
R968
UN2218
RCRA waste no. U008
allenediol
Acrysol lmw-20X
XPA
Aqueous acrylic acid
25987-55-7
Dow Latex 354
Ethene carboxylic acid
Acrylic acid, inhibited
CH2=CHCOOH
(stabilized with MEHQ)
Carbomer 934 (NF)
Carbomer 940 (NF)
Carbomer 941 (NF)
Carbopol 910 (TN)
Carbopol 934 (TN)
Carbopol 940 (TN)
Carbopol 941 (TN)
Carbomer 934P (NF)
Carbopol 934P (TN)
Carbomer 910 (USAN)
ACRYLIC ACID [MI]
Carbomer 1342 (NF)
Carbopol 1342 (TN)
ACRYLIC ACID [HSDB]
ACRYLIC ACID [INCI]
WLN: QV1U1
average Mv ~450,000
UN 2218 (Salt/Mix)
Acrylic acid, p.a., 99%
CHEMBL1213529
STR00040
Tox21_112372
LMFA01030193
MFCD00004367
NSC106034
NSC106035
NSC106036
NSC106037
NSC112122
NSC112123
NSC114472
NSC165257
NSC226569
STL281870
AKOS000118799
DB02579
MCULE-9352227082
NSC-106034
NSC-106035
NSC-106036
NSC-106037
NSC-112122
NSC-112123
NSC-114472
NSC-165257
NSC-226569
CAS-79-10-7
BP-30259
DB-220116
DB-251641
A0141
NS00001146
EN300-17959
C00511
C19501
D03392
D03393
D03394
D03395
D03396
D03397
Acrylic Acid contains 200ppm MEHQ as inhibitor
Acrylic acid, inhibited [UN2218] [Corrosive]
A830860
Q324628
Z57127944
F0001-2070
InChI=1/C3H4O2/c1-2-3(4)5/h2H,1H2,(H,4,5
Acrylic acid, anhydrous, contains 200 ppm MEHQ as inhibitor, 99%
Acrylic acid, SAJ first grade, >=97.0%, contains 190-210 ppm MEHQ as stabilizer
1204391-75-2
55927-87-2
9063-87-0
Microorganism:

Yes

IUPAC nameprop-2-enoic acid
SMILESC=CC(=O)O
InchiInChI=1S/C3H4O2/c1-2-3(4)5/h2H,1H2,(H,4,5)
FormulaC3H4O2
PubChem ID6581
Molweight72.06
LogP0.3
Atoms5
Bonds1
H-bond Acceptor2
H-bond Donor1
Chemical Classificationalkenes acids carboxylic acids organic acids
CHEBI-ID18308
Supernatural-IDSN0246839

mVOC Specific Details

Boiling Point
DegreeReference
142 °C peer reviewed
Volatilization
A pKa of 4.26(1) indicates acrylic acid will exist almost entirely in the anion form at pH values of 5 to 9 and therefore volatilization from water surfaces and moist soil is not expected to be an important fate process(2). The potential for volatilization of acrylic acid from dry soil surfaces may exist(SRC) based upon a vapor pressure of 3.97 mm Hg(3).
Literature: (1) Riddick JA et al; Organic Solvents: Physical Properties and Methods of Purification. Techniques of Chemistry. 4th ed. New York, NY: Wiley-Interscience (1986) (2) Doucette WJ; pp. 141-188 in Handbook of Property Estimation Methods for Chemicals. Boethling RS, Mackay D, eds, Boca Raton, FL: Lewis Publ (2000) (3) Daubert TE, Danner RP; Physical and Thermodynamic Properties of Pure Chemicals: Data Compilation. Design Inst Phys Prop Data, Amer Inst Chem Eng New York, NY: Hemisphere Pub Corp 5 Vol (1987)
Soil Adsorption
Koc values for acrylic acid have been reported as 6 in Washington clay/loam (29% sand, 42% silt, 29% clay, 3.39% organic carbon, pH 6.0), 9 in Canfield loam (45% sand, 42% silt, 13% clay, 4.58% organic carbon, pH 6.1), 29 in Ellsworth loam (35% sand, 40% silt, 25% clay, 1.42% organic carbon, pH 7.2), 137 in Tyner loamy sand (79% sand, 14% silt, 7% clay, 0.46% organic carbon, pH 5.2), and 33 in sandy loam sediment (53% sand, 28% silt, 19% clay, 1.23% organic carbon, pH 7.5)(1) According to a classification scheme(2), these Koc values suggest that acrylic acid is expected to have very high to high mobility in soil. The pKa of acrylic acid is 4.26(3), indicating that this compound will exist almost entirely in anion form in the environment and anions generally do not adsorb more strongly to soils containing organic carbon and clay than their neutral counterparts(4).
Literature: (1) Staples CA et al; Chemosphere 40: 29-38 (2000) (2) Swann RL et al; Res Rev 85: 17-28 (1983) (3) Riddick JA et al; Organic Solvents: Physical Properties and Methods of Purification. Techniques of Chemistry. 4th ed. New York, NY: Wiley-Interscience (1986) (4) Doucette WJ; pp. 141-188 in Handbook of Property Estimation Methods for Chemicals. Boethling RS, Mackay D, eds. Boca Raton, FL: Lewis Publ (2000)
Vapor Pressure
PressureReference
3.97 mm Hg at 25 deg CDaubert, T.E., R.P. Danner. Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, D.C.: Taylor and Francis, 1989.
MS-Links
Massbank-Links

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaTuber Aestivumn/aAgricultural Centre of Castilla and León Community (Monasterio de la Santa Espina, Valladolid, Spain) and Navaleno (Soria, Spain).Diaz et al. 2003
ProkaryotaClostridium Sp.n/aNAStotzky and Schenck 1976
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaTuber Aestivumn/an/ano
ProkaryotaClostridium Sp.n/an/ano


1,3,5-trichloro-2-methoxybenzene

Mass-Spectra

Compound Details

Synonymous names
2,4,6-TRICHLOROANISOLE
87-40-1
1,3,5-Trichloro-2-methoxybenzene
Tyrene
2,4,6-Trichloro-1-methoxybenzene
TRICHLOROANISOLE
Benzene, 1,3,5-trichloro-2-methoxy-
Methyl 2,4,6-trichlorophenyl ether
Anisole, 2,4,6-trichloro-
2,4.6-Trichloroanisole
1,3,5-trichloro-2-methoxy-benzene
MFCD00000588
NSC-35142
31O3X41254
UNII-31O3X41254
EINECS 201-743-5
NSC 35142
2,6-Trichloroanisole
AI3-09173
Anisole,4,6-trichloro-
2,4,6-Trichloro-Anisole
SCHEMBL54507
1,5-Trichloro-2-methoxybenzene
DTXSID9073886
CHEBI:19333
2,4,6-Trichloroanisole, 99%
Methyl 2,6-trichlorophenyl ether
Benzene,3,5-trichloro-2-methoxy-
NSC35142
AKOS015849927
Anisole, 2,4,6-trichloro- (8CI)
2,4,6-TRICHLOROANISOLE [MI]
1,3,5-Trichloro-2-methoxybenzene, 9CI
AS-60959
SY051443
1-METHOXY-2,4,6-TRICHLOROBENZENE
DB-057000
CS-0150571
NS00008077
T0867
Benzene, 1,3,5-trichloro-2-methoxy- (9CI)
F20912
Q209191
2,4,6-Trichloroanisole 10 microg/mL in Isooctane
2,4,6-Trichloroanisole 100 microg/mL in Methanol
2,4,6-Trichloroanisole 1000 microg/mL in Methanol
2,4,6-Trichloroanisole, PESTANAL(R), analytical standard
InChI=1/C7H5Cl3O/c1-11-7-5(9)2-4(8)3-6(7)10/h2-3H,1H
Microorganism:

Yes

IUPAC name1,3,5-trichloro-2-methoxybenzene
SMILESCOC1=C(C=C(C=C1Cl)Cl)Cl
InchiInChI=1S/C7H5Cl3O/c1-11-7-5(9)2-4(8)3-6(7)10/h2-3H,1H3
FormulaC7H5Cl3O
PubChem ID6884
Molweight211.5
LogP4
Atoms11
Bonds1
H-bond Acceptor1
H-bond Donor0
Chemical Classificationalkenes benzenoids ethers halogenated compounds
CHEBI-ID19333
Supernatural-IDSN0406867

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaStreptomyces Ciscaucasicuspotentially involved in antifungal activityNACordovez et al. 2015
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaStreptomyces CiscaucasicusGA-mediumSPME/GC-MS no


2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ol

Mass-Spectra

Compound Details

Synonymous names
CARVEOL
99-48-9
p-Mentha-6,8-dien-2-ol
p-Mentha-1,8-dien-6-ol
2-Methyl-5-(1-methylethenyl)-2-cyclohexen-1-ol
L-Carveol
(-)-Carveol
1-Methyl-4-isopropenyl-6-cyclohexen-2-ol
2-methyl-5-(prop-1-en-2-yl)cyclohex-2-en-1-ol
p-Mentha-1(6),8-dien-2-ol
2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ol
5-Isopropenyl-2-methyl-2-cyclohexen-1-ol
2-Cyclohexen-1-ol, 2-methyl-5-(1-methylethenyl)-
5-isopropenyl-2-methylcyclohex-2-en-1-ol
2-Methyl-5-isopropenyl-2-cyclohexen-1-ol
NSC 68313
2-Methyl-5-(prop-1-en-2-yl)cyclohex-2-enol
6,8-p-Menthadien-2-ol
DTXSID3024736
CHEBI:23046
(Z)-Carveol
FEMA No. 2247
MFCD00062993
EINECS 202-757-4
2-Methyl-5(1-methylethenyl)cyclohex-2-ene-1-ol
2-Methyl-5-[1-methylethenyl]-2-cyclohexen-1-ol
(1S-trans)-2-Methyl-5-(1-methylvinyl)cyclohex-2-en-1-ol
laevo-carveol
CCRIS 6219
p-Mentha-6,8-dien-2-ol (VAN)
BRN 1861032
a carveol
AI3-27596
MFCD00869995
laevo-(Z)-carveol
p-Mentha-6, l-
UPCMLD-DP073
Allyl 4-aminobutylcarbamate
SCHEMBL56868
2-06-00-00102 (Beilstein Handbook Reference)
L-p-mentha-6-8-dien-2-ol
DTXCID104736
GTPL6417
CHEMBL1385229
UPCMLD-DP073:001
FEMA 2247
NSC68313
Tox21_200175
NSC-68313
AKOS015915605
CS-W018086
HY-W017370
CAS-99-48-9
NCGC00091404-01
NCGC00091404-03
NCGC00091404-04
NCGC00257729-01
WLN: L6UTJ AQ B1 EY1 & U1
AS-66951
SY319013
1H-Imidazol-1-amine, 2-methyl-4-nitro-
DB-045454
DB-080605
NS00012077
2-Methyl-5-(1-propen-2-yl)-2-cyclohexenol
D77822
2-Cyclohexen-1-ol,2-methyl-5-(1-methylethenyl)-
Q2920205
20307-86-2
Microorganism:

No

IUPAC name2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ol
SMILESCC1=CCC(CC1O)C(=C)C
InchiInChI=1S/C10H16O/c1-7(2)9-5-4-8(3)10(11)6-9/h4,9-11H,1,5-6H2,2-3H3
FormulaC10H16O
PubChem ID7438
Molweight152.23
LogP2.1
Atoms11
Bonds1
H-bond Acceptor1
H-bond Donor1
Chemical Classificationalkenes alcohols terpenoids
CHEBI-ID23046
Supernatural-IDSN0020577

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaTuber Magnatumn/aItalian geographical areas ( Piedmont, Emilia Romagna, Border region area between Emilia Romagna and Marche, Tuscany, Molise)Gioacchini et al. 2008
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaTuber Magnatumn/amicroextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)no


4-ethenylcyclohexene

Compound Details

Synonymous names
4-Vinylcyclohexene
100-40-3
4-VINYL-1-CYCLOHEXENE
Cyclohexene, 4-ethenyl-
4-Ethenylcyclohexene
4-vinylcyclohex-1-ene
Butadiene dimer
Cyclohexenylethylene
Cyclohexene, 4-vinyl-
4-Ethenyl-1-cyclohexene
4-Vinylcyclohexene-1
1-Vinylcyclohexene-3
4-Vinyl cyclohexene
1-Cyclohexene, 4-vinyl-
Ethenyl-1-cyclohexene
NCI-C54999
1,2,3,4-Tetrahydrostyrene
Vinylcyclohexene, 4-
NSC 15760
1-Vinyl-3-cyclohexene
1-Vinylcyclohex-3-ene
212JQJ15PS
DTXSID3021437
CHEBI:82377
NSC-15760
CCRIS 1422
HSDB 2872
4-ethenylcyclohex-1-ene
EINECS 202-848-9
BRN 1901553
UNII-212JQJ15PS
AI3-08499
4-vinylcylohexene
4 vinyl cyclohexene
4-vinyl-cyclohexene
5-Ethenylcyclohexene
4-VINYLCYCLOHENE
1,3,4-Tetrahydrostyrene
EC 202-848-9
4-VCH
WLN: L6UTJ D1U1
4-05-00-00406 (Beilstein Handbook Reference)
DTXCID601437
4-Vinyl-1-cyclohexene, 99%
CHEMBL1330194
4-VINYLCYCLOHEXENE [IARC]
NSC15760
Tox21_200388
MFCD00001576
AKOS015903842
MCULE-1027409234
NCGC00091539-01
NCGC00091539-02
NCGC00091539-03
NCGC00257942-01
CAS-100-40-3
LS-13442
4-Vinyl-1-cyclohexene, analytical standard
DS-015484
NS00008744
V0023
4-Vinyl-1-cyclohexene (stabilized with BHT)
C19310
D92779
EN300-123688
4-Vinyl-1-cyclohexene 2000 microg/mL in Methanol
J-000127
Q4637205
Microorganism:

Yes

IUPAC name4-ethenylcyclohexene
SMILESC=CC1CCC=CC1
InchiInChI=1S/C8H12/c1-2-8-6-4-3-5-7-8/h2-4,8H,1,5-7H2
FormulaC8H12
PubChem ID7499
Molweight108.18
LogP2.8
Atoms8
Bonds1
H-bond Acceptor0
H-bond Donor0
Chemical Classificationalkenes cycloalkenes
CHEBI-ID82377

mVOC Specific Details

Boiling Point
DegreeReference
128 °C peer reviewed
Volatilization
The Henry's Law constant for 4-vinylcyclohexene is estimated as 4.5X10-2 atm-cu m/mole(SRC), derived from its vapor pressure, 15.7 mm Hg(1), and water solubility, 50 mg/l(2). This Henry's Law constant indicates that 4-vinylcyclohexene 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 1.1 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 4.1 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 19 days if adsorption is considered(4). 4-Vinylcyclohexene's estimated Henry's Law constant(1,2) indicates that volatilization from moist soil surfaces may occur(SRC). The potential for volatilization of 4- vinylcyclohexene from dry soil surfaces may exist(SRC) based upon a vapor pressure of 15.7 mm Hg(1).
Soil Adsorption
The Koc of 4-vinylcyclohexene is estimated as 3300(SRC), using a measured log Kow of 3.93(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that 4-vinylcyclohexene is expected to have slight mobility in soil(SRC).

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaStaphylococcus AureusNAKarami et al. 2017
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaStaphylococcus AureusMueller Hinton broth (MB), tryptic soy broth (TSB)SPME, DVB/CAR/PDMS, GC-MSno


But-1-ene

Mass-Spectra

Compound Details

Synonymous names
1-BUTENE
But-1-ene
Ethylethylene
106-98-9
BUTENE
1-Butylene
Butene-1
alpha-Butylene
alpha-Butene
9003-28-5
1-C4H8
CCRIS 8970
HSDB 179
.alpha.-Butene
.alpha.-Butylene
25167-67-3
EINECS 203-449-2
UNII-LY001N554L
CHEBI:48362
LY001N554L
DTXSID1026746
EC 203-449-2
1-Butene (ca. 10% in Hexane)
Butene, 1-
MFCD00009383
1-n-Butene
Actipol E6
61788-35-0
but-1-en-3-yl
BUTENE [INCI]
1-BUTENE [HSDB]
1-BUTENE [MI]
1-Butene, >=99%
CHEMBL117210
DTXCID606746
1-Butene, >=99.6%
But-1-ene (10% in Hexanes)
DTXSID10175879
DTXSID80983963
1-Butene (ca. 10% in Toluene)
1-Butene, >=99.0% (GC)
AKOS009156841
MCULE-8167907130
DB-040719
B0689
B4410
B4411
NS00009034
InChI=1/C4H8/c1-3-4-2/h3H,1,4H2,2H
Q2468763
6993-22-2
Microorganism:

Yes

IUPAC namebut-1-ene
SMILESCCC=C
InchiInChI=1S/C4H8/c1-3-4-2/h3H,1,4H2,2H3
FormulaC4H8
PubChem ID7844
Molweight56.11
LogP2.4
Atoms4
Bonds1
H-bond Acceptor0
H-bond Donor0
Chemical Classificationalkenes
CHEBI-ID48362
Supernatural-IDSN0402777

mVOC Specific Details

Boiling Point
DegreeReference
-6.47 °C peer reviewed
Volatilization
The Henry's Law constant for 1- butene is 0.245 atm-cu m/mole(1). This Henry's Law constant indicates that 1- butene 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 45 minutes (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 3 days(SRC). 1-Butene's Henry's Law constant(1) indicates that volatilization from moist soil surfaces may occur(SRC). 1-Butene is expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 2250 mm Hg(3).
Literature: (1) Yaws CL; Thermodynamics and Physical Property Data, Houston, TX: Gulf Publ Co pp. 217 (1992) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (3) 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 5 Vol (1989)
Soil Adsorption
Using a structure estimation method based on molecular connectivity indices(1), the Koc for 1-butene can be estimated to be 44(SRC). According to a classification scheme(2), this estimated Koc value suggests that 1-butene is expected to have very high mobility 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
2.253X10+3 mm Hg at 25 deg CDaubert, T.E., R.P. Danner. Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, D.C.: Taylor and Francis, 1989.
Massbank-Links

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaPseudomonas Fragin/aNAErcolini et al. 2009
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaPseudomonas Fragin/an/ano


Buta-1,3-diene

Compound Details

Synonymous names
1,3-BUTADIENE
Buta-1,3-diene
106-99-0
Divinyl
BUTADIENE
Biethylene
Vinylethylene
Erythrene
Bivinyl
Pyrrolylene
Butadieen
Butadien
Buta-1,3-dien
Buta-1,3-dieen
alpha,gamma-Butadiene
Butadiene monomer
9003-17-2
NCI-C50602
1,3-butadien
Butadiene-1,3-uninhibited
Buta-1,3-dien [German]
CCRIS 99
Butadiene, 1,3-
HSDB 181
JSD5FGP5VD
.alpha.,.gamma.-Butadiene
EINECS 203-450-8
CHEBI:39478
UNII-JSD5FGP5VD
1,3-BUTADIENE-2,3-D2
CH2=CHCH=CH2
CH2=CH-CH=CH2
UN 1010
1,3-Butadiene, homopolymer
1,3-Butadiene (ca. 15% in Toluene)
DTXSID3020203
130983-70-9
1983-06-8
25339-57-5
1,3-Butadiene (ca. 15% in Hexane)
EC 203-450-8
1,3-BUTADIENE (IARC)
1,3-BUTADIENE [IARC]
vinyl ethylene
MFCD00008659
1,3 butadiene
Butadieen [Dutch]
Butadien [Polish]
26952-74-9
alpha-gamma-butadiene
1,3-Butadiene, puriss., >=99.5% (GC)
Buta-1,3-dieen [Dutch]
butadiene-1,3
alpha, gamma-butadiene
BUTADIENE [INCI]
1,3-Butadiene 95%
alpha,<>-Butadiene
CH22CH1CH2CH2
BUTADIENES, STABILIZED
DTXCID10203
1,3-Butadiene, >=99%
1,3-BUTADIENE [MI]
CHEMBL537970
1,3-BUTADIENE [HSDB]
CHEBI:39479
1,3-Butadiene, >=99.6%
BUTADIENE-1, 3, STABILIZED
1,3-BUTADIENE, (STABILIZED)
1,3-Butadiene, purum, >=98.0%
AKOS007930655
68514-37-4
1,3-Butadiene 100 microg/mL in Methanol
1,3-Butadiene 200 microg/mL in Methanol
1,3-Butadiene 1000 microg/mL in Methanol
B0675
B4358
B4359
B4835
NS00007558
1,3-Butadiene 10000 microg/mL in Methanol
InChI=1/C4H6/c1-3-4-2/h3-4H,1-2H
Q161503
1,3-Butadiene (~15per cent by weight in Toluene)
1,3-Butadiene 10 microg/mL in N,N-Dimethylacetamide
1,3-Butadiene 50 microg/mL in N,N-Dimethylacetamide
1,3-Butadiene 150 microg/mL in N,N-Dimethylacetamide
1,3-Butadiene 250 microg/mL in N,N-Dimethylacetamide
1,3-Butadiene 400 microg/mL in N,N-Dimethylacetamide
1,3-Butadiene (ca. 13% in Tetrahydrofuran, ca. 2mol/L)
Microorganism:

Yes

IUPAC namebuta-1,3-diene
SMILESC=CC=C
InchiInChI=1S/C4H6/c1-3-4-2/h3-4H,1-2H2
FormulaC4H6
PubChem ID7845
Molweight54.09
LogP2
Atoms4
Bonds1
H-bond Acceptor0
H-bond Donor0
Chemical Classificationalkenes alkadienes
CHEBI-ID39478
Supernatural-IDSN0180310

mVOC Specific Details

Boiling Point
DegreeReference
-4.5 °C peer reviewed
Volatilization
The Henry's Law constant for 1,3-butadiene is estimated as 0.0736 atm-cu m/mole(SRC) derived from its vapor pressure, 2052 mm Hg(1), and water solubility, 735 mg/L(2). This Henry's Law constant indicates that 1,3-butadiene 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 2.2 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 2.9 days(SRC). 1,3-Butadiene's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). 1,3-Butadiene is expected to volatilize from dry soil surfaces(SRC) based upon its vapor pressure(1).
Soil Adsorption
Using a structure estimation method based on molecular connectivity indices(1), the Koc of 1,3-butadiene can be estimated to be 40(SRC). According to a classification scheme(2), this estimated Koc value suggests that 1,3-butadiene is expected to have very high mobility in soil.
Massbank-Links

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaStreptococcus PneumoniaeNANAFilipiak et al. 2012
EukaryotaCandida AlbicansNAKarami et al. 2017
ProkaryotaBacillus Velezensistoxic effects on fungal mycelial growthmaize seedMassawe et al. 2018
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaStreptococcus PneumoniaeTryptic soyaTD/GC-MSno
EukaryotaCandida AlbicansMueller Hinton broth (MB), tryptic soy broth (TSB)SPME, DVB/CAR/PDMS, GC-MSno
ProkaryotaBacillus VelezensisMinimal salt mediumSPME, GC-MSno


Prop-2-enal

Compound Details

Synonymous names
ACROLEIN
Acrylaldehyde
2-Propenal
107-02-8
Propenal
Acrylic aldehyde
prop-2-enal
Allyl aldehyde
Ethylene aldehyde
Aqualin
Magnacide H
Acraldehyde
Slimicide
2-Propen-1-one
Aqualine
Crolean
Prop-2-en-1-al
Magnacide
Acquinite
Biocide
Acrylaldehyd
Acroleina
Acroleine
Akrolein
Akroleina
Papite
Aldeide acrilica
Aldehyde acrylique
Acraldehydeacroleina
NSC 8819
Rcra waste number P003
Propenaldehyde
trans-Acrolein
Caswell No. 009
Magnacide B
Aldehyde, Allyl
Aldehyde, Acrylic
Aldehyde, Ethylene
Magnacide H and B
CCRIS 3278
HSDB 177
Acrolein (stabilized with hydroquinone)
UN 1092
CHEBI:15368
2-Propenaldehyde
EINECS 203-453-4
UNII-7864XYD3JJ
EPA Pesticide Chemical Code 000701
7864XYD3JJ
25068-14-8
DTXSID5020023
AI3-24160
CH2=CHCHO
NSC-8819
CHEMBL721
DTXCID8023
EC 203-453-4
ACROLEIN (IARC)
ACROLEIN [IARC]
ACROLEIN (MART.)
ACROLEIN [MART.]
Akrolein [Czech]
Propenal [Czech]
Acrolein, analytical standard
Akroleina [Polish]
Acroleina [Italian]
Acrylaldehyd [German]
2 Propenal
Acroleine [Dutch, French]
Aldeide acrilica [Italian]
Propadien-1-ol
Aldehyde acrylique [French]
Acrolein, inhibited
Propenal, inhibited
Acraldehydeacroleina [Italian]
UN1092
RCRA waste no. P003
Acrylic aldehyde, inhibited
allol
Acrylehyde
Allylaldehyde
Acrehyde
Acrylehyd
Aerolein
Acrolein Monomer
2-propen-1-al
prop-2-en-1-one
81788-96-7
ACROLEIN [HSDB]
ACROLEIN [INCI]
ACROLEIN [MI]
Epitope ID:143621
WLN: VH1U1
Acroleine(DUTCH, FRENCH)
trans-Acrolein Formylethylene
GTPL2418
DTXSID50526220
NSC8819
Acrolein 5000 microg/mL in Water
BCP07056
STR00291
Acrolein 100 microg/mL in Acetone
Tox21_200984
BDBM50010912
Acrolein 1000 microg/mL in Methanol
Acrolein 5000 microg/mL in Methanol
AKOS000120766
Acrolein, 96%, stab with hydroquinone
NCGC00091484-01
NCGC00091484-02
NCGC00258537-01
BP-14004
CAS-107-02-8
Acrolein, inhibited [UN1092] [Poison]
DB-026460
A0137
NS00009782
C01471
InChI=1/C3H4O/c1-2-3-4/h2-3H,1H
A801558
Q342790
Acrolein, contains hydroquinone as stabilizer, 90%
Acrolein Solution, 5000 microg/mL in Methanol, Second Source
Acrolein, stabilized with 3 wt% water, 1000ppm hydroquinone, stored over Copper
Microorganism:

Yes

IUPAC nameprop-2-enal
SMILESC=CC=O
InchiInChI=1S/C3H4O/c1-2-3-4/h2-3H,1H2
FormulaC3H4O
PubChem ID7847
Molweight56.06
LogP0
Atoms4
Bonds1
H-bond Acceptor1
H-bond Donor0
Chemical Classificationaldehydes alkenes
CHEBI-ID15368
Supernatural-IDSN0124858

mVOC Specific Details

Boiling Point
DegreeReference
52.3 °C peer reviewed
Volatilization
The Henry's Law constant for acrolein is 1.22X10-4 atm-cu m/mole(1). This Henry's Law constant indicates that acrolein 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 7.6 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)(2) is estimated as 4.6 days(SRC). Volatilization is likely to be the major route of acrolein's dissipation from water(3). Acrolein's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). Acrolein is expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 274 mm Hg(4).
Soil Adsorption
Using a structure estimation method based on molecular connectivity indices(1), the Koc of acrolein can be estimated to be 1.0(SRC). According to a classification scheme(2), this estimated Koc value suggests that acrolein is expected to have very high mobility in soil.
Massbank-Links

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
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
ProkaryotaLacticaseibacillus ParacaseiNANASquara et al. 2022
Lactobacillus PlantarumZhang et al. 2023
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaCandida AlbicansYGC mediaHS-SPME/GC-GC-ToFMSno
EukaryotaCandida GlabrataYGC mediaHS-SPME/GC-GC-ToFMSno
EukaryotaCandida TropicalisYGC mediaHS-SPME/GC-GC-ToFMSno
ProkaryotaLacticaseibacillus Paracaseimaize silageHS-SPME coupled with GC-TOF MSno
Lactobacillus PlantarumHabanero pepperGC–IMSno


2,4,4-trimethylpent-1-ene

Mass-Spectra

Compound Details

Synonymous names
2,4,4-TRIMETHYL-1-PENTENE
Diisobutylene
107-39-1
2,4,4-Trimethylpent-1-ene
25167-70-8
Pentene, 2,4,4-trimethyl-
1-Pentene, 2,4,4-trimethyl-
2,4,4-TRIMETHYLPENTENE
Diisobutene
2,2,4-Trimethyl-4-pentene
1-Methyl-1-neopentylethylene
NSC-8701
2,4,4-trimethylpentene-1
N69L73ADVF
DTXSID4026765
NSC-73942
2,4-Trimethyl-1-pentene
2,4-Trimethyl-4-pentene
1-Pentene,4,4-trimethyl-
MFCD00008855
HSDB 1442
EINECS 203-486-4
NSC 73942
UNII-N69L73ADVF
BRN 1098309
a-Diisobutylene
AI3-30049
Diisobutylene (DIB)
DSSTox_CID_6765
Isooctene(7ci,8ci,9ci)
DSSTox_RID_78589
TMP-1
DSSTox_GSID_27851
4-01-00-00892 (Beilstein Handbook Reference)
2,4,4 trimethyl-1-pentene
2,4,4-trimethyl-pentene-1
DTXCID806765
CHEMBL3186786
NSC8701
NSC73942
(tert-C4H9)CH2C(CH3)=CH2
Tox21_200435
Tox21_202554
2,4,4-Trimethyl-1-pentene, 96%
2,4,4-Trimethyl-1-pentene, 99%
AKOS015903731
NCGC00166004-01
NCGC00166004-02
NCGC00257989-01
NCGC00260103-01
CAS-107-39-1
LS-13500
CAS-25167-70-8
2,4,4-TRIMETHYL-1-PENTENE [HSDB]
NS00005687
T0665
D92377
J-001894
Q3030100
W-109188
InChI=1/C8H16/c1-7(2)6-8(3,4)5/h1,6H2,2-5H
1-Pentene, 2,4,4-trimethyl-; 2,4,4-Trimethyl-1-pentene; 1-Methyl-1-neopentylethylene; 2,2,4-Trimethyl-4-pentene; NSC 73942; NSC 8701
Diisobutylene, technical, >=90% (3 parts 2,4,4-trimethyl-1-pentene + 1 part 2,4,4-trimethyl-2-pentene, GC)
Microorganism:

Yes

IUPAC name2,4,4-trimethylpent-1-ene
SMILESCC(=C)CC(C)(C)C
InchiInChI=1S/C8H16/c1-7(2)6-8(3,4)5/h1,6H2,2-5H3
FormulaC8H16
PubChem ID7868
Molweight112.21
LogP3.7
Atoms8
Bonds2
H-bond Acceptor0
H-bond Donor0
Chemical Classificationalkenes
Supernatural-IDSN0098177

mVOC Specific Details

Boiling Point
DegreeReference
101.4 °C peer reviewed
Volatilization
The Henry's Law constant for 2,4,4-trimethyl-1-pentene is estimated as 0.746 atm-cu m/mole(SRC) using a fragment constant estimation method(1). This Henry's Law constant indicates that 2,4,4-trimethyl-1-pentene 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 1.082 hr 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 4.2 days(SRC). 2,4,4-Trimethyl-1-pentene's Henry's Law constant(1) indicates that volatilization from moist soil surfaces may occur(SRC). The potential for volatilization of 2,4,4-trimethyl-1-pentene from dry soil surfaces may exist(SRC) based upon a vapor pressure of 44.7 mm Hg(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) Daubert TE, Danner RP; Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, DC: Taylor and Francis (1989)
Soil Adsorption
Using a structure estimation method based on molecular connectivity indices(1), the Koc for 2,4,4-trimethyl-1-pentene can be estimated to be about 275(SRC). According to a classification scheme(2), this estimated Koc value suggests that 2,4,4-trimethyl-1-pentene is expected to have moderate mobility in soil.
Literature: (1) Meylan WM et al; Environ Sci Technol 26: 1560-67 (1992) (2) Swann RL et al; Res Rev 85: 23 (1983)
Vapor Pressure
PressureReference
44.7 mm Hg @ 25 deg CDaubert, T.E., R.P. Danner. Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, D.C.: Taylor and Francis, 1989.
Massbank-Links

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaPseudomonas Fragin/aNAErcolini et al. 2009
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaPseudomonas Fragin/an/ano


Ethenyl Acetate

Mass-Spectra

Compound Details

Synonymous names
VINYL ACETATE
Ethenyl acetate
108-05-4
Acetic acid ethenyl ester
Acetic acid vinyl ester
Ethenyl ethanoate
Acetoxyethene
Acetoxyethylene
1-Acetoxyethylene
Vinyl acetate monomer
Vinyl ethanoate
Vinyl A monomer
Vinylacetat
Vinylacetate
9003-20-7
Zeset T
Vinylacetaat
Acetic acid, ethenyl ester
Octan winylu
Acetate de vinyle
Vinyl acetate H.Q.
Ethanoic acid, ethenyl ester
Vinile (acetato di)
Vinyle (acetate de)
VyAc
Acetic acid, vinyl ester
Vinylester kyseliny octove
Acetic acid, ethylene ether
NSC 8404
Vinylazetat
CCRIS 1306
HSDB 190
EINECS 203-545-4
Everflex 81L
Essigsaeurevinylester
UNII-L9MK238N77
Vinnapas A 50
DTXSID3021431
CHEBI:46916
AI3-18437
L9MK238N77
NSC-8404
CH3CO2CH=CH2
Unocal 76 Res S-55
Vinyl ester of acetic acid
Unocal 76 Res 6206
DTXCID201431
VAC
EC 203-545-4
VINYL ACETATE (IARC)
VINYL ACETATE [IARC]
Vinylacetaat [Dutch]
Vinylacetat [German]
Octan winylu [Polish]
Vinyl acetate, analytical standard
VyAr
Acetate de vinyle [French]
Vinyle (acetate de) [French]
Vinile (acetato di) [Italian]
Acetic Acid Vinyl Ester Monomer
Vinylester kyseliny octove [Czech]
UN1301
Vinile
Vinyle
Vinile(acetato di)
Vinylacetat(german)
Vinyle(acetate de)
Vinyl acetate, CP
PONAL
Ethenyl acetate, 9CI
VINYL ACETATE HQ
Vinyl acetate, inhibited
Plyamul 40305-00
VINYL ACETATE [MI]
VINYL ACETATE [HSDB]
VINYL ACETATE [INCI]
UN 1301 (Salt/Mix)
WLN: 1VO1U1
RP 251 (ESTER)
CHEMBL1470323
VINYL ACETATE, STABILIZED
NSC8404
Tox21_200817
BBL036266
MFCD00008713
RP 251
STL264216
AKOS009120081
MCULE-7626795765
NCGC00091098-01
NCGC00091098-02
NCGC00258371-01
CAS-108-05-4
COPOVIDONE IMPURITY C [EP IMPURITY]
Vinyl Acetate 2000 microg/mL in Methanol
Vinyl Acetate Monomer (stabilized with HQ)
A0045
NS00008176
EN300-27348
C19309
A801803
Q377339
J-002050
Vinyl Acetate(Stabilized with 8-12 ppm Hydroquinone)
F8880-1173
InChI=1/C4H6O2/c1-3-6-4(2)5/h3H,1H2,2H
Vinyl acetate, inhibited [UN1301] [Flammable liquid]
Vinyl Acetate contains 3-20 ppm hydroquinone as inhibitor
Vinyl acetate, European Pharmacopoeia (EP) Reference Standard
Vinyl acetate, contains 3-20 ppm hydroquinone as inhibitor, >=99%
93196-02-2
VAM
Microorganism:

Yes

IUPAC nameethenyl acetate
SMILESCC(=O)OC=C
InchiInChI=1S/C4H6O2/c1-3-6-4(2)5/h3H,1H2,2H3
FormulaC4H6O2
PubChem ID7904
Molweight86.09
LogP0.7
Atoms6
Bonds2
H-bond Acceptor2
H-bond Donor0
Chemical Classificationalkenes esters
CHEBI-ID46916
Supernatural-IDSN0440031

mVOC Specific Details

Boiling Point
DegreeReference
72.8 °C peer reviewed
Volatilization
The Henry's Law constant for vinyl acetate is estimated as 5.1X10-4 atm-cu m/mole(SRC) derived from its vapor pressure, 90.2 mm Hg at 20 deg C(1), and water solubility, 20,000 mg/L(2). This Henry's Law constant indicates that vinyl acetate 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 4.2 days(SRC). The Henry's Law constant of vinyl acetate indicates that volatilization from moist soil surfaces may occur(SRC). The potential for volatilization of vinyl acetate from dry soil surfaces may exist based upon its vapor pressure(1).
Literature: (1) Daubert TE, Danner RP; Physical and Thermodynamic Properties of Pure Chemicals: Data Compilation. Design Institute Phys Prop Data, Amer Inst Chem Eng. New York, NY: Hemisphere Pub Corp (1989) (2) Riddick JA et al; Techniques of Chemistry: Organic Solvents, Physical Properties and Methods of Purification. 4th edition. New York, NY: John Wiley & Sons (1986) (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 vinyl acetate is estimated as approximately 60(SRC), using a log Kow of 0.73(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that vinyl acetate is expected to have high mobility in soil(SRC).
Literature: (1) Hansch C et al; Exploring QSAR, Hydrophobic, Electronic, and Steric Constants. ACS Prof Ref Book. Washington,DC: Amer Chem Soc (1995) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington DC: Amer Chem Soc pp. 4-9 (1990) (3) Swann RL et al; Res Rev 85: 23 (1983)
Vapor Pressure
PressureReference
90.2 mm Hg at 20 deg C /extrapolated/Daubert, T.E., R.P. Danner. Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, D.C.: Taylor and Francis, 1989.
MS-Links
1D-NMR-Links
Massbank-Links

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaBacillus Subtilispromote biomass production of Arabidopsis thalianarhizosphere of Haloxylon ammodendronHe et al. 2023
ProkaryotaSerratia Sp.n/aNABruce et al. 2004
EukaryotaSaccharomyces Cerevisiaen/aNABruce et al. 2004
ProkaryotaCollimonas Pratensisn/aNAGarbeva et al. 2014
EukaryotaSaccharomyces CerevisiaeNANAGe et al. 2021
Cyberlindnera FabianiiMa et al. 2023
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaBacillus Subtilis1/2 MS mediaSPME/GC-MSno
ProkaryotaSerratia Sp.n/an/ano
EukaryotaSaccharomyces Cerevisiaen/an/ano
ProkaryotaCollimonas PratensisHeadspace trapping/GC-MSno
EukaryotaSaccharomyces Cerevisiaegrape juiceLC-15C HPLCno
Cyberlindnera Fabianiituna cooking liquidHS-SPME-GC/MSno


Pent-1-ene

Mass-Spectra

Compound Details

Synonymous names
1-PENTENE
Pent-1-ene
109-67-1
PENTENE
Propylethylene
1-n-Pentene
.alpha.-n-Amylene
Pentene-1
ALP8M0LU81
DTXSID7025849
MFCD00003567
alpha-Amylene
alpha-n-Amylene
1-Pentylene
1-Amylene
68814-91-5
HSDB 1086
Alkenes, C5-9 alpha-
EINECS 203-694-5
UNII-ALP8M0LU81
pentaene
Alkenes, C5-9 .alpha.-
?1-Pentene
EINECS 272-344-1
pent-4-ene-1
1-Pentene 95
1-Pentene, 98%
1-PENTENE [HSDB]
1-PENTENE [MI]
EC 203-694-5
PENTENE, 1-N-
1-Pentene, analytical standard
CHEMBL295337
DTXCID905849
DTXSID60170455
EINECS 271-255-5
Tox21_200280
1-Pentene, >=98.5% (GC)
AKOS009157547
1-C5H10
FD10489
NCGC00090824-01
NCGC00090824-02
NCGC00257834-01
CAS-109-67-1
NS00006222
P0316
EN300-119395
J-002314
Q6018906
InChI=1/C5H10/c1-3-5-4-2/h3H,1,4-5H2,2H
25587-78-4
Microorganism:

No

IUPAC namepent-1-ene
SMILESCCCC=C
InchiInChI=1S/C5H10/c1-3-5-4-2/h3H,1,4-5H2,2H3
FormulaC5H10
PubChem ID8004
Molweight70.13
LogP2.4
Atoms5
Bonds2
H-bond Acceptor0
H-bond Donor0
Chemical Classificationalkenes
CHEBI-ID230334
Supernatural-IDSN0461824

mVOC Specific Details

Boiling Point
DegreeReference
29.9 °C peer reviewed
Volatilization
The Henry's Law constant for 1-pentene calculated from its vapor pressure, 635 mm Hg(1), and water solubility, 148 mg/l(2), is 0.40 atm-cu m/mole (SRC). This Henry's Law constant indicates that 1-pentene should 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 2.4 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 3.3 days(SRC). 1-Pentene's Henry's Law constant(1,2) indicates that volatilization from moist soil surfaces may occur(SRC). The potential for volatilization of 1-pentene from dry soil surfaces exists based upon its vapor pressure of 635 mm Hg(1).
Literature: (1) Perry RH et al; Perry's Chemical Engineers' Handbook NY, NY: McGraw Hill (1984) (2) Yalkowsky SH, Dannenfelser RM; Aquasol Data Base of Water Solubility Ver 5, Tuscon,. AZ: Univ Arizona, College of Pharmacy (1992) (3) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990)
Solubility
Sol in all proportions in alcohol, ether, and benzene
Literature: Budavari, S. (ed.). The Merck Index - An Encyclopedia of Chemicals, Drugs, and Biologicals. Whitehouse Station, NJ: Merck and Co., Inc., 1996., p. 1225
Literature: #Miscible in ethanol and ethyl ether, soluble in benzene.
Literature: Lide, D.R. (ed.). CRC Handbook of Chemistry and Physics. 79th ed. Boca Raton, FL: CRC Press Inc., 1998-1999., p. 3-247
Literature: #In water, 148 mg/l @ 25 deg C
Literature: Yalkowsky SH, Dannenfelser RM; The AQUASOL dATAbASE of Aqueous Solubility. Fifth ed, Tucson, AZ: Univ AZ, College of Pharmacy (1992)
Soil Adsorption
Using a structure estimation method based on molecular connectivity indices(1), the Koc for 1-pentene can be estimated to be 81(SRC). According to a classification scheme(2), this estimated Koc value suggests that 1-pentene is expected to have high mobility 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
635 mm Hg @ 25 deg CPerry RH, Green D; Perry's Chemical Handbook. Physical and Chemical data. NY, NY: McGraw-Hill 6th ed (1984)
Massbank-Links

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaTrichoderma AtrovirideNALarsen 1998
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaTrichoderma Atrovirideno


Cyclohexene

Mass-Spectra

Compound Details

Synonymous names
CYCLOHEXENE
110-83-8
Tetrahydrobenzene
Cyclohex-1-ene
Benzene tetrahydride
1,2,3,4-Tetrahydrobenzene
Benzenetetrahydride
Hexanaphthylene
Cykloheksen
Benzene, tetrahydro-
1-Cyclohexene
3,4,5,6-Tetrahydrobenzene
Zyklohexen
NSC 24835
12L0P8F7GN
CHEBI:36404
NSC-24835
Cykloheksen [Polish]
25012-94-6
HSDB 1624
EINECS 203-807-8
UN2256
BRN 0906737
cylcohexene
UNII-12L0P8F7GN
cyclo hexene
cyclo-hexene
cyclohexane N
AI3-03146
CCRIS 8739
2-cyclohexen
MFCD00001539
UN 2256
CYCLOHEXENE [MI]
1,3,4-Tetrahydrobenzene
WLN: L6UTJ
CYCLOHEXENE [HSDB]
EC 203-807-8
4-05-00-00218 (Beilstein Handbook Reference)
CHEMBL16396
Cyclohexene, analytical standard
DTXSID9038717
AMY17792
NSC24835
STL445673
AKOS000119959
AKOS025243963
MCULE-3564016252
BP-31020
Cyclohexene [UN2256] [Flammable liquid]
NS00008978
EN300-19682
A802251
Cyclohexene, inhibitor-free, ReagentPlus(R), 99%
Q413328
J-002481
F0001-0225
Z104474726
Cyclohexene, contains 100 ppm BHT as inhibitor, >=99.0%
InChI=1/C6H10/c1-2-4-6-5-3-1/h1-2H,3-6H
Microorganism:

Yes

IUPAC namecyclohexene
SMILESC1CCC=CC1
InchiInChI=1S/C6H10/c1-2-4-6-5-3-1/h1-2H,3-6H2
FormulaC6H10
PubChem ID8079
Molweight82.14
LogP2.9
Atoms6
Bonds0
H-bond Acceptor0
H-bond Donor0
Chemical Classificationcycloalkenes alkenes
CHEBI-ID36404
Supernatural-IDSN0124671

mVOC Specific Details

Boiling Point
DegreeReference
83 °C peer reviewed
Volatilization
The Henry's Law constant for cyclohexene is 4.55X10-2 atm-cu m/mole at 25 deg C(1). This Henry's Law constant indicates that cyclohexene 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 1 hour(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 4 days(SRC). Cyclohexene's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). Cyclohexene is expected to volatilize from dry soil surfaces(SRC) based upon a an extrapolated vapor pressure of 89 mm Hg(3).
Literature: (1) Hine J, Mookerjee PK; J Org Chem 40: 292-8 (1975) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (3) Daubert TE, Danner RP; Physical & Thermodynamic Properties of Pure Chemicals NY: Hemisphere Pub Corp (1989)
Soil Adsorption
The Koc of cyclohexene is estimated as 850 (SRC), using a log Kow of 2.86(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that cyclohexene is expected to have low mobility in soil(SRC).
Literature: (1) Hansch C et al; Exploring QSAR. Hydrophobic, Electronic, and Steric Constants. ACS Prof Ref Book. Heller SR, consult. ed., Washington, DC: Amer Chem Soc p. 23 (1995) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 4-9 (1990) (3) Swann RL et al; Res Rev 85: 17-28 (1983)
Vapor Pressure
PressureReference
89.0 mm Hg at 25 deg C (est)Daubert, T.E., R.P. Danner. Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, D.C.: Taylor and Francis, 1989.
Massbank-Links

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaBacillus SimplexReduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.NAGu et al. 2007
ProkaryotaBacillus SubtilisReduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.NAGu et al. 2007
ProkaryotaBacillus WeihenstephanensisReduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.NAGu et al. 2007
ProkaryotaMicrobacterium OxydansReduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.NAGu et al. 2007
ProkaryotaStenotrophomonas MaltophiliaReduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.NAGu et al. 2007
ProkaryotaStreptomyces LateritiusReduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.NAGu et al. 2007
ProkaryotaSerratia MarcescensReduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.NAGu et al. 2007
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaBacillus Simplexn/an/ano
ProkaryotaBacillus Subtilisn/an/ano
ProkaryotaBacillus Weihenstephanensisn/an/ano
ProkaryotaMicrobacterium Oxydansn/an/ano
ProkaryotaStenotrophomonas Maltophilian/an/ano
ProkaryotaStreptomyces Lateritiusn/an/ano
ProkaryotaSerratia Marcescensn/an/ano


Oct-1-ene

Mass-Spectra

Compound Details

Synonymous names
1-OCTENE
Oct-1-ene
111-66-0
Caprylene
Octene
n-1-Octene
1-Octylene
Octylene
alpha-Octene
OCTENE-1
1-Caprylene
alpha-Octylene
.alpha.-Octene
.alpha.-Octylene
NSC 8457
Neodene 8
MFCD00009548
E5VK21B9RC
DTXSID6025804
CHEBI:46708
NSC-8457
1-C8H16
1-Octene, 98%
68527-00-4
1-Octene, analytical standard
1-n-octene
26746-84-9
Octene, 1-
HSDB 1084
EINECS 203-893-7
UNII-E5VK21B9RC
Alkenes, C8-9 .alpha.-
AI3-28403
1-?Octene
C8-9 alpha-Alkenes
CAPRYLENE [MI]
OCTENE [INCI]
1-Octene, 97%
SHOP C8
1-OCTENE [FHFI]
1-OCTENE [HSDB]
EC 203-893-7
DTXCID705804
CHEMBL1376677
NSC8457
Tox21_200652
BBL027759
STL372709
AKOS009031490
MCULE-6867393536
1-Octene, purum, >=97.0% (GC)
NCGC00091537-01
NCGC00091537-02
NCGC00258206-01
CAS-111-66-0
VS-08589
DB-040996
NS00007609
O0041
O0251
EN300-19738
D91846
Q161664
J-002614
InChI=1/C8H16/c1-3-5-7-8-6-4-2/h3H,1,4-8H2,2H
Microorganism:

No

IUPAC nameoct-1-ene
SMILESCCCCCCC=C
InchiInChI=1S/C8H16/c1-3-5-7-8-6-4-2/h3H,1,4-8H2,2H3
FormulaC8H16
PubChem ID8125
Molweight112.21
LogP4.6
Atoms8
Bonds5
H-bond Acceptor0
H-bond Donor0
Chemical Classificationalkenes
CHEBI-ID46708
Supernatural-IDSN0197254

mVOC Specific Details

Boiling Point
DegreeReference
121.2 °C peer reviewed
Volatilization
The Henry's Law constant for 1-octene is estimated as 0.627 atm-cu m/mole(SRC) from its vapor pressure, 17.4 mm Hg(1), and water solubility, 4.1 mg/l(2). This Henry's Law constant indicates that 1-octene is expected to volatilize rapidly from water surfaces(3). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec)(3) is estimated as 3.1 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 4.2 days(SRC). The volatilization half-life from a model pond 2 m deep is estimated to be 37 hrs ignoring adsorption; when considering maximum adsorption, the volatilization half-life increases to 95 hrs(4). 1-Octene's estimated Henry's Law constant(1,2) indicates that volatilization from moist soil surfaces may occur(SRC). The potential for volatilization of 1-octene from dry soil surfaces may exist(SRC) based upon a vapor pressure of 17.4 mm Hg(1).
Literature: (1) Yaws CL; Handbook of Vapor Pressures, Vol 3, C8 to C28 Compound. Houston, TX: Gulf Publ Co. pp. 382-7 (1994) (2) Yalkowsky SH, Dannenfelser RM; Aquasol Data Base of Water Solubility Ver 5, Tuscon, AZ: Univ Arizona, College of Pharmacy (1992) (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)
Soil Adsorption
Using a structure estimation method based on molecular connectivity indices(1), the Koc for 1-octene can be estimated to be 510(SRC). According to a classification scheme(2), this estimated Koc value suggests that 1-octene is expected to have a low to moderate mobility 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
17.4 mm Hg @ 25 deg CYaws CL; Handbook of Vapor Pressure. Vol 3: C8-C28 Compounds. Houston,TX: Gulf Pub Co (1994)
MS-Links
Massbank-Links

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaTrichoderma VirideNAHung et al. 2013
EukaryotaAspergillus Nigern/aNAMeruva et al. 2004
EukaryotaRhizopus Stolonifern/aNAMeruva et al. 2004
EukaryotaAspergillus Ornatusn/aNAMeruva et al. 2004
EukaryotaPenicillium Chrysogenumn/aNAMeruva et al. 2004
EukaryotaTrichoderma VirensNACrutcher et al. 2013
EukaryotaTrichoderma AtrovirideNACrutcher et al. 2013
EukaryotaTrichoderma ReeseiNACrutcher et al. 2013
EukaryotaAspergillus Versicolornadamp indoor environments, food productsSunesson et al. 1995
EukaryotaCladosporium Cladosporioidesnaindoor, outdoor, on a wide range of materialsSunesson et al. 1995
EukaryotaPenicillium ChrysogenumNoneNoneMeruva et al. 2004
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaTrichoderma VirideMalt extract agar Headspace volatiles collected with colomn/TD-GC-MSyes
EukaryotaAspergillus NigerTobacco products.Closedloop stripping analysis and GC/TOF-MS.no
EukaryotaRhizopus StoloniferTobacco products.Closedloop stripping analysis and GC/TOF-MS.no
EukaryotaAspergillus OrnatusTobacco products.Closedloop stripping analysis and GC/TOF-MS.no
EukaryotaPenicillium ChrysogenumTobacco 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 VersicolorDG18GC/MSno
EukaryotaCladosporium CladosporioidesDG18GC/MSno
EukaryotaPenicillium ChrysogenumTobacco products.Closedloop stripping analysis and GC/TOF-MS.yes


Oct-2-ene

Compound Details

Synonymous names
oct-2-ene
2-OCTENE
111-67-1
OCTENE-2
trans-Oct-2-ene
2-OCTENE (CIS)
2-Octene, cis + trans
2-Octylene
octa-2-ene
oct-6-ene
DTXSID0059407
2-Octene (cis- and trans- mixture)
DB-056059
DB-240403
NS00020052
O0042
D91810
Microorganism:

No

IUPAC nameoct-2-ene
SMILESCCCCCC=CC
InchiInChI=1S/C8H16/c1-3-5-7-8-6-4-2/h3,5H,4,6-8H2,1-2H3
FormulaC8H16
PubChem ID8126
Molweight112.21
LogP3.7
Atoms8
Bonds4
H-bond Acceptor0
H-bond Donor0
Chemical Classificationalkenes
CHEBI-ID167529
Supernatural-IDSN0148851

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaMortierella Isabellinamor horizon of a spruce forest soil southeastern SwedenBengtsson et al. 1991
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaMortierella Isabellinamalt extact agardiethyl extraction, GC-MSno