Results for:
PubChem ID: 8079

Cyclohexene

Mass-Spectra

Compound Details

Synonymous names
Benzenetetrahydride
Tetrahydrobenzene
Hexanaphthylene
Benzene tetrahydride
cyclohexen
CYCLOHEXENE
Cykloheksen
Zyklohexen
HGCIXCUEYOPUTN-UHFFFAOYSA-N
cyclohexane N
Cyclohexene, analytical standard
cyclo hexene
cyclo-hexene
1-Cyclohexene
2-cyclohexen
3-Cyclohexenyl radical
4-Cyclohexenyl radical
AC1Q1HIF
AC1L1Q7T
Benzene, tetrahydro-
Cyclohexane-1beta,2alpha-diyl
Cykloheksen [Polish]
ACMC-1BMJ1
Cyclohex-1-ene
(e)-cyclohexene
(Z)-Cyclohexene
KSC177C0F
7450AF
CHEMBL16396
UN2256
WLN: L6UTJ
12L0P8F7GN
CTK0H7102
NSC24835
1,3,4-Tetrahydrobenzene
CCRIS 8739
HSDB 1624
LTBB001107
UNII-12L0P8F7GN
DTXSID9038717
OR034362
OR109656
OR109667
OR279428
OR336968
STL445673
UN 2256
A802251
CHEBI:36404
AN-22626
ANW-16200
BP-31020
CJ-14477
LS-57377
NSC 24835
NSC-24835
TRA0075448
MFCD00001539
ZINC13950911
AI3-03146
RTR-002196
TR-002196
1,2,3,4-Tetrahydrobenzene
3,4,5,6-Tetrahydrobenzene
AKOS000119959
AKOS025243963
J-002481
S14-1475
BRN 0906737
FT-0624200
Cyclohexene, 99% 100ml
110-83-8
F0001-0225
Z1262252892
7493-04-1
Cyclohexene [UN2256] [Flammable liquid]
Cyclohexene, inhibitor-free, ReagentPlus(R), 99%
MCULE-3564016252
CYCLOHEXENE-D10, 98 ATOM % D
EINECS 203-807-8
15650-80-3
33004-06-7
Cyclohexene [UN2256] [Flammable liquid]
MolPort-001-779-794
12198-EP2269990A1
12198-EP2270010A1
12198-EP2272832A1
12198-EP2272972A1
12198-EP2272973A1
12198-EP2275403A1
12198-EP2277872A1
12198-EP2280009A1
12198-EP2281817A1
12198-EP2281818A1
12198-EP2284148A1
12198-EP2284149A1
12198-EP2284165A1
12198-EP2287155A1
12198-EP2292611A1
12198-EP2295429A1
12198-EP2295503A1
12198-EP2298731A1
12198-EP2298732A1
12198-EP2298767A1
12198-EP2301913A1
12198-EP2301914A1
12198-EP2301983A1
12198-EP2302015A1
12198-EP2305627A1
12198-EP2305641A1
12198-EP2305672A1
12198-EP2305683A1
12198-EP2305808A1
12198-EP2305825A1
12198-EP2308510A1
12198-EP2308562A2
12198-EP2308812A2
12198-EP2308839A1
12198-EP2308840A1
12198-EP2308865A1
12198-EP2308877A1
12198-EP2311796A1
12198-EP2311797A1
12198-EP2311798A1
12198-EP2311799A1
12198-EP2311839A1
12198-EP2314583A1
12198-EP2314587A1
12198-EP2314589A1
12198-EP2315303A1
12198-EP2316837A1
12198-EP2316974A1
12198-EP2371811A2
12198-EP2380568A1
77950-EP2272846A1
77950-EP2275408A1
77950-EP2287158A1
77950-EP2308866A1
Cyclohexene, contains 100 ppm BHT as inhibitor, >=99.0%
4-05-00-00218 (Beilstein Handbook Reference)
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
Molweight82.146
LogP2.31
Atoms16
Bonds16
H-bond Acceptor0
H-bond Donor0
Chemical ClassificationAlkenes alkanes

mVOC Specific Details

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.

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaBacillus Subtilis GB03n/aLee et al., 2012
BacteriaBacillus SimplexReduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.Gu et al., 2007
BacteriaBacillus SubtilisReduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.Gu et al., 2007
BacteriaBacillus WeihenstephanensisReduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.Gu et al., 2007
BacteriaMicrobacterium OxydansReduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.Gu et al., 2007
BacteriaSerratia MarcescensReduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.Gu et al., 2007
BacteriaStenotrophomonas MaltophiliaReduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.Gu et al., 2007
BacteriaStreptomyces LateritiusReduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.Gu et al., 2007
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaBacillus Subtilis GB03Tryptic soy agarSPME coupled with GC-MS
BacteriaBacillus Simplexn/an/a
BacteriaBacillus Subtilisn/an/a
BacteriaBacillus Weihenstephanensisn/an/a
BacteriaMicrobacterium Oxydansn/an/a
BacteriaSerratia Marcescensn/an/a
BacteriaStenotrophomonas Maltophilian/an/a
BacteriaStreptomyces Lateritiusn/an/a