Results for:
PubChem ID: 7499

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