Results for:
PubChem ID: 8078

Cyclohexane

Mass-Spectra

Compound Details

Synonymous names
Benzenehexahydride
Hexahydrobenzene
Polycyclohexane
Hexamethylene
Hexanaphthene
Cicloesano
Ciclohexano
Cyclohexaan
Cyclohexan
CYCLOHEXANE
Cyclohexane,oxidized
Cykloheksan
Zyklohexan
hexahydro-Benzene
XDTMQSROBMDMFD-UHFFFAOYSA-N
Cyclohexane, homopolymer
Cyclohexane HPLC grade
Cyclohexane, analytical standard
Cyclohexane, Environmental Grade
cyclo-hexane
Cyclohexane,oxidized,non-acidicby-products,distn.lights
Poly(cyclohexane)
Cyclohexane, HPLC Grade
Cyclohexane, for HPLC
CYCLOHEXANE, HPLC/SPECTRO GRADE
Cyclohexane, JIS special grade
AC1L1Q7Q
Benzene, hexahydro-
Cicloesano [Italian]
Cyclohexaan [Dutch]
Cyclohexan [German]
Cyclohexane, pharmaceutical secondary standard; traceable to USP
Cykloheksan [Polish]
ACMC-1BUC3
Cyclohexane GC, for residue analysis
Cyclohexane, reaction product with oxygen, nonvolatile residue
CYCLOHEXANE- D12
Cyclohexane, oxidized, non-volatile residue
HSDB 60
KSC176E2J
CHEMBL15980
UN1145
WLN: L6TJ
48K5MKG32S
CTK0H6224
Cyclohexane, ACS spectrophotometric grade, >=99%
LS-516
bmse000545
C11249
CCRIS 3928
LTBB002303
RCRA waste number U056
UNII-48K5MKG32S
DTXSID4021923
NSC406835
OR034049
OR247837
OR257144
STL283116
UN 1145
300044X
CHEBI:29005
Cyclohexane, ACS reagent, >=99%
Cyclohexane, LR, >=99%
DSSTox_CID_1923
ZINC1532203
AN-22625
ANW-56408
CJ-24168
DSSTox_GSID_21923
KB-76252
Caswell No. 269
DSSTox_RID_76404
MFCD00003814
AI3-08222
Cyclohexane, Laboratory Reagent, >=99.8%
NSC 406835
NSC-406835
TR-002195
TX-017501
AKOS000119975
Cyclohexane, 99% 1L
Cyclohexane, anhydrous, 99.5%
EPA Pesticide Chemical Code 025901
ghl.PD_Mitscher_leg0.242
RCRA waste no. U056
ZINC100503963
FT-0624180
FT-0624182
FT-0632535
Cyclohexane, AR, >=99.5%
I14-17856
Cyclohexane, >=99.5%, PRA grade
Cyclohexane, HPLC grade, >=99.9%
Cyclohexane, UV HPLC spectroscopic, 99.5%
Tox21_201087
110-82-7
Cyclohexane, for HPLC, >=99.7%
Cyclohexane, for HPLC, >=99.9%
Cyclohexane, SAJ first grade, >=99.0%
Cyclohexane [UN1145] [Flammable liquid]
MCULE-3136361765
NCGC00248918-01
NCGC00258639-01
CAS-110-82-7
EINECS 203-806-2
EINECS 270-147-5
25012-93-5
68411-76-7
68512-15-2
68609-05-2
Cyclohexane [UN1145] [Flammable liquid]
5374-EP2269975A2
5374-EP2269977A2
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5374-EP2269989A1
5374-EP2269990A1
5374-EP2269993A1
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5374-EP2270001A1
5374-EP2270003A1
5374-EP2270006A1
5374-EP2270008A1
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5374-EP2275419A2
5374-EP2275469A1
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5374-EP2280000A1
5374-EP2280005A1
5374-EP2280006A1
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5374-EP2281822A1
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5374-EP2289884A1
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5374-EP2289891A2
5374-EP2289893A1
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5374-EP2295408A1
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5374-EP2295431A2
5374-EP2298729A1
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5374-EP2298745A1
5374-EP2298746A1
5374-EP2298754A1
5374-EP2298761A1
5374-EP2298763A1
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5374-EP2298828A1
5374-EP2301544A1
5374-EP2301627A1
5374-EP2301909A1
5374-EP2301918A1
5374-EP2301919A1
5374-EP2301934A1
5374-EP2301939A1
5374-EP2301983A1
5374-EP2302003A1
5374-EP2305250A1
5374-EP2305254A1
5374-EP2305625A1
5374-EP2305627A1
5374-EP2305642A2
5374-EP2305649A1
5374-EP2305650A1
5374-EP2305667A2
5374-EP2305675A1
5374-EP2305679A1
5374-EP2305682A1
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5374-EP2305686A1
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5374-EP2308510A1
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5374-EP2308812A2
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5374-EP2308839A1
5374-EP2308848A1
5374-EP2308849A1
5374-EP2308850A1
5374-EP2308851A1
5374-EP2308857A1
5374-EP2308858A1
5374-EP2308861A1
5374-EP2308865A1
5374-EP2308876A1
5374-EP2308879A1
5374-EP2308926A1
5374-EP2309564A1
5374-EP2309584A1
5374-EP2311796A1
5374-EP2311797A1
5374-EP2311798A1
5374-EP2311799A1
5374-EP2311801A1
5374-EP2311802A1
5374-EP2311803A1
5374-EP2311808A1
5374-EP2311813A1
5374-EP2311816A1
5374-EP2311817A1
5374-EP2311821A1
5374-EP2311822A1
5374-EP2311824A1
5374-EP2311829A1
5374-EP2311830A1
5374-EP2311837A1
5374-EP2311839A1
5374-EP2311841A1
5374-EP2311842A2
5374-EP2311846A1
5374-EP2314295A1
5374-EP2314558A1
5374-EP2314579A1
5374-EP2314583A1
5374-EP2314585A1
5374-EP2314587A1
5374-EP2314589A1
5374-EP2316452A1
5374-EP2316824A1
5374-EP2316837A1
5374-EP2371797A1
5374-EP2371798A1
5374-EP2371800A1
5374-EP2371804A1
5374-EP2371811A2
5374-EP2371814A1
5374-EP2371831A1
5374-EP2374454A1
5374-EP2375479A1
5374-EP2376421A1
5374-EP2376422A1
5374-EP2377844A2
5374-EP2377845A1
5374-EP2377847A1
5374-EP2380568A1
5374-EP2380871A1
5374-EP2380874A2
5611-EP2270101A1
5611-EP2272822A1
5611-EP2272832A1
5611-EP2272843A1
5611-EP2275469A1
5611-EP2281817A1
5611-EP2281818A1
5611-EP2284169A1
5611-EP2287161A1
5611-EP2287162A1
5611-EP2287940A1
5611-EP2289518A1
5611-EP2292231A1
5611-EP2292589A1
5611-EP2292597A1
5611-EP2292611A1
5611-EP2295414A1
5611-EP2298747A1
5611-EP2298828A1
5611-EP2301922A1
5611-EP2305248A1
5611-EP2305641A1
5611-EP2311850A1
5611-EP2371811A2
5611-EP2372804A1
5611-EP2374783A1
5611-EP2377841A1
5611-EP2378585A1
Cyclohexane, p.a., 99.0%
MolPort-001-785-799
56779-EP2272846A1
56779-EP2275408A1
56779-EP2275422A1
56779-EP2277868A1
56779-EP2277869A1
56779-EP2277870A1
56779-EP2287147A2
56779-EP2287158A1
56779-EP2292608A1
56779-EP2292616A1
56779-EP2292625A1
56779-EP2295422A2
56779-EP2295436A1
56779-EP2298076A1
56779-EP2298077A1
56779-EP2298305A1
56779-EP2298769A1
56779-EP2301353A1
56779-EP2305031A1
56779-EP2305034A1
56779-EP2305035A1
56779-EP2308866A1
56779-EP2308878A2
56779-EP2374791A1
56779-EP2377844A2
Cyclohexane, puriss., >=99.5% (GC)
Cyclohexane, HPLC UV/IR isocratic grade, min. 99.9%
Cyclohexane, p.a., ACS reagent, 99.0%
Cyclohexane, puriss. p.a., ACS reagent, >=99.5% (GC)
InChI=1/C6H12/c1-2-4-6-5-3-1/h1-6H
Microorganism:

Yes

IUPAC namecyclohexane
SMILESC1CCCCC1
InchiInChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2
FormulaC6H12
PubChem ID8078
Molweight84.162
LogP2.67
Atoms18
Bonds18
H-bond Acceptor0
H-bond Donor0
Chemical Classificationalkanes

mVOC Specific Details

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

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaBacillus Amyloliquefaciens IN937an/aLee et al., 2012
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaBacillus Amyloliquefaciens IN937aTryptic soy agarSPME coupled with GC-MS