Results for:
PubChem ID: 8078

Cyclohexane

Mass-Spectra

Compound Details

Synonymous names
CYCLOHEXANE
110-82-7
Hexamethylene
Hexahydrobenzene
Hexanaphthene
Cyclohexan
Cykloheksan
Benzene, hexahydro-
Cicloesano
Cyclohexaan
Benzenehexahydride
Ciclohexano
RCRA waste number U056
Acid red 300
Caswell No. 269
hexahydro-Benzene
HSDB 60
CCRIS 3928
cyclo-hexane
NSC 406835
EINECS 203-806-2
UNII-48K5MKG32S
EPA Pesticide Chemical Code 025901
NSC-406835
48K5MKG32S
DTXSID4021923
CHEBI:29005
AI3-08222
MFCD00003814
12217-02-6
DTXCID701923
EC 203-806-2
68512-15-2
Cyclohexane, HPLC Grade
CYCLOHEXANE (MART.)
CYCLOHEXANE [MART.]
Cyclohexaan [Dutch]
Cyclohexan [German]
Cicloesano [Italian]
Cykloheksan [Polish]
Cyclohexane, ACS reagent, >=99%
Cyclohexane, for HPLC, >=99.7%
Benzene hexahydride
UN1145
RCRA waste no. U056
cylcohexane
cylohexane
Cyclohexane, puriss. p.a., ACS reagent, >=99.5% (GC)
Zyklohexan
68411-76-7
Cyclohexane HPLC grade
Cyclohexane, for HPLC
Cyclohexane, ACS Grade
CYCLOHEXANE [MI]
CYCLOHEXANE [FCC]
CYCLOHEXANE [HSDB]
CYCLOHEXANE [INCI]
bmse000545
WLN: L6TJ
CYCLOHEXANE [USP-RS]
ghl.PD_Mitscher_leg0.242
Cyclohexane, LR, >=99%
CHEMBL15980
Cyclohexane, JIS special grade
Cyclohexane, analytical standard
Cyclohexane, p.a., 99.0%
Cyclohexane, anhydrous, 99.5%
Cyclohexane, AR, >=99.5%
DTXSID70185595
AMY11047
BCP08072
Tox21_201087
NSC406835
STL283116
Cyclohexane, >=99.5%, PRA grade
Cyclohexane, for HPLC, >=99.9%
AKOS000119975
Cyclohexane, HPLC grade, >=99.9%
MCULE-3136361765
UN 1145
Cyclohexane 2000 microg/mL in Methanol
NCGC00248918-01
NCGC00258639-01
CAS-110-82-7
Cyclohexane, puriss., >=99.5% (GC)
Cyclohexane, SAJ first grade, >=99.0%
Cyclohexane, Laboratory Reagent, >=99.8%
Cyclohexane, p.a., ACS reagent, 99.0%
Cyclohexane [UN1145] [Flammable liquid]
Cyclohexane, UV HPLC spectroscopic, 99.5%
for HPLC, inverted exclamation markY99.9%
NS00003725
Cyclohexane, ACS spectrophotometric grade, >=99%
Q211433
InChI=1/C6H12/c1-2-4-6-5-3-1/h1-6H
Cyclohexane, HPLC UV/IR isocratic grade, min. 99.9%
ASTM Method D5191 Vapor Pressure - 22.5 kPa (3.26 psi)
Cyclohexane, Pharmaceutical Secondary Standard; Certified Reference Material
Microorganism:

Yes

IUPAC namecyclohexane
SMILESC1CCCCC1
InchiInChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2
FormulaC6H12
PubChem ID8078
Molweight84.16
LogP3.4
Atoms6
Bonds0
H-bond Acceptor0
H-bond Donor0
Chemical Classificationalkanes cycloalkanes
CHEBI-ID29005
Supernatural-IDSN0427404

mVOC Specific Details

Boiling Point
DegreeReference
80.7 °C peer reviewed
Volatilization
The Henry's Law constant for cyclohexane has been measured as 0.15 atm-cu m/mole at 25 deg C(1). This Henry's Law constant indicates that cyclohexane 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 2.7 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 3.6 days(SRC). Cyclohexane's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). Cyclohexane is expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 96.9 mm Hg(3).
Literature: (1) Bocek K; Experientia, Suppl 23: 231-40 (1976) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (3) Chao J et al; J Phys Chem Ref Data 12: 1033-63 (1983)
Soil Adsorption
Based on measured sorption isotherms in a high-organic soil(1), the Koc of cyclohexane can be estimated to be about 350(SRC). Using a structure estimation method based on molecular connectivity indices(2), the Koc for cyclohexane can be estimated to be about 150(SRC). According to a classification scheme(3), these estimated Koc values suggest that cyclohexane is expected to have moderate mobility in soil(SRC).
Literature: (1) Xia G, Pignatello JJ; Environ Sci Technol 35: 84-94 (2001) (2) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.11. Nov, 2012. Available from, as of June 11, 2014: http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm (3) Swann RL et al; Res Rev 85: 23 (1983)
Vapor Pressure
PressureReference
96.9 mm Hg at 25 deg CChao J et al; J Phys Chem Ref Data 12: 1033-63 (1983)
MS-Links
1D-NMR-Links
Massbank-Links

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaBacillus Amyloliquefaciensn/aNALee et al. 2012
ProkaryotaBacillus Subtilisn/aNALee et al. 2012
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaBacillus AmyloliquefaciensTryptic soy agarSPME coupled with GC-MSno
ProkaryotaBacillus SubtilisTryptic soy agarSPME coupled with GC-MSno