Results for:
PubChem ID: 7967

Cyclohexanone

Mass-Spectra

Compound Details

Synonymous names
Cyclohexanone homopolymer
cyclohexanone,homopolymer
Ketohexamethylene
POLYCYCLOHEXANONE
ketocyclohexane
oxocyclohexane
Cicloesanone
Cyclohexanon
CYCLOHEXANONE
cyclohexyloxy
Cykloheksanon
Cyclohexanone, homopolymer
Cyclohexyl ketone
JHIVVAPYMSGYDF-UHFFFAOYSA-N
Cyclohexanone, analytical standard
hexanoe
Hexanon
Hytrolo
Nadone
Sextone
Anon
Anone
Cyclic ketone
Pimelic ketone
Pimelin ketone
CYH
resins, cyclohexanone
2-cyclohexanone
BDBM6
Cyclohexanon(dutch)
CYCLOHEXANONE, ACS
AC1L1PYR
AC1Q6ENS
Hydrol-e
Hytrol O
Cyclohexanone (Industrial Grade)
Cicloesanone [Italian]
Cykloheksanon [Polish]
cyclohexan-1-one
Cyclohexanon [Dutch]
ACMC-1BP9A
Cyclohexanone - Reagent Grade ACS
KSC491S9H
CHEMBL18850
Cyclohexanone-1-13C
NSC5711
UN1915
WLN: L6VTJ
5QOR3YM052
CTK3J1993
HMDB03315
HSDB 186
Y1320
BIDD:ER0292
DB02060
LS-475
RL00382
bmse000405
C00414
CCRIS 5897
DSSTox_CID_359
HMS3039C04
RCRA waste number U057
UNII-5QOR3YM052
BC214118
Cyclohexanone, 99.8%
Cyclohexanone, LR, >=99%
DTXSID6020359
HE341618
NSC 5711
NSC-5711
OR034252
OR201448
OR369125
SBB060074
UN 1915
CHEBI:17854
CYCLOHEXYL, 2-OXO-
NCI-C55005
ZINC4528575
AN-19440
AN-42917
ANW-15994
CJ-12122
DSSTox_GSID_20359
TRA0078638
Caswell No. 270
DSSTox_RID_75537
MFCD00001625
ZINC04528575
AI3-00041
DB-059799
RTR-002012
ST50214418
TR-002012
AKOS000119815
EPA Pesticide Chemical Code 025902
I01-1194
J-520160
RCRA waste no. U057
Cyclohexanone, ACS reagent, >=99.0%
Cyclohexanone, AR, >=99.5%
FT-0624193
MLS002152896
SMR001224507
Cyclohexanone, 99% 100ml
I14-20861
I14-53082
Z955123528
Cyclohexanone, JIS special grade, >=99.0%
Cyclohexanone, Selectophore(TM), >=99.5%
Tox21_202121
Tox21_302750
108-94-1
Cyclohexanone, SAJ first grade, >=98.0%
Cyclohexanone, Vetec(TM) reagent grade, 98%
F0001-0185
Cyclohexanone [UN1915] [Flammable liquid]
Cyclohexanone, ReagentPlus(R), 99.8%
9003-41-2
9075-99-4
MCULE-5664385838
NCGC00091786-01
NCGC00091786-02
NCGC00256489-01
NCGC00259670-01
CAS-108-94-1
EINECS 203-631-1
11119-77-0
Cyclohexanone [UN1915] [Flammable liquid]
Cyclohexanone, p.a., 99.0%
2628-EP2269986A1
2628-EP2269990A1
2628-EP2269995A1
2628-EP2270113A1
2628-EP2272817A1
2628-EP2272825A2
2628-EP2272832A1
2628-EP2272849A1
2628-EP2272935A1
2628-EP2274983A1
2628-EP2275403A1
2628-EP2275407A1
2628-EP2275411A2
2628-EP2275469A1
2628-EP2277878A1
2628-EP2280005A1
2628-EP2280009A1
2628-EP2281810A1
2628-EP2281812A1
2628-EP2284148A1
2628-EP2284165A1
2628-EP2286915A2
2628-EP2287153A1
2628-EP2287159A1
2628-EP2287940A1
2628-EP2289868A1
2628-EP2289884A1
2628-EP2289893A1
2628-EP2289897A1
2628-EP2289965A1
2628-EP2292592A1
2628-EP2292593A2
2628-EP2292599A1
2628-EP2292606A1
2628-EP2295407A1
2628-EP2295438A1
2628-EP2298736A1
2628-EP2298763A1
2628-EP2298767A1
2628-EP2298828A1
2628-EP2299326A1
2628-EP2301918A1
2628-EP2301919A1
2628-EP2301924A1
2628-EP2301983A1
2628-EP2302003A1
2628-EP2305655A2
2628-EP2305658A1
2628-EP2305668A1
2628-EP2308838A1
2628-EP2308848A1
2628-EP2308851A1
2628-EP2308857A1
2628-EP2308858A1
2628-EP2308883A1
2628-EP2308926A1
2628-EP2309564A1
2628-EP2311807A1
2628-EP2311815A1
2628-EP2311816A1
2628-EP2311817A1
2628-EP2314558A1
2628-EP2314583A1
2628-EP2316824A1
2628-EP2316832A1
2628-EP2316833A1
2628-EP2316836A1
2628-EP2371805A1
2628-EP2377845A1
MolPort-000-871-993
22788-EP2270011A1
22788-EP2272517A1
22788-EP2272817A1
22788-EP2272822A1
22788-EP2272832A1
22788-EP2272935A1
22788-EP2275398A1
22788-EP2275401A1
22788-EP2275409A1
22788-EP2275469A1
22788-EP2277867A2
22788-EP2280003A2
22788-EP2280009A1
22788-EP2280010A2
22788-EP2281817A1
22788-EP2287940A1
22788-EP2289887A2
22788-EP2289888A2
22788-EP2289895A1
22788-EP2289965A1
22788-EP2292592A1
22788-EP2292597A1
22788-EP2292606A1
22788-EP2292611A1
22788-EP2295414A1
22788-EP2295421A1
22788-EP2295422A2
22788-EP2295436A1
22788-EP2298731A1
22788-EP2298746A1
22788-EP2298750A1
22788-EP2298767A1
22788-EP2298772A1
22788-EP2298774A1
22788-EP2298828A1
22788-EP2301921A1
22788-EP2301926A1
22788-EP2301983A1
22788-EP2305250A1
22788-EP2305633A1
22788-EP2305651A1
22788-EP2308510A1
22788-EP2308562A2
22788-EP2308839A1
22788-EP2308854A1
22788-EP2311810A1
22788-EP2313397A1
22788-EP2313398A1
22788-EP2314575A1
22788-EP2314583A1
22788-EP2314587A1
22788-EP2315502A1
22788-EP2371810A1
78030-EP2272846A1
78030-EP2275422A1
78030-EP2277868A1
78030-EP2277869A1
78030-EP2277870A1
78030-EP2287158A1
78030-EP2292608A1
78030-EP2298076A1
78030-EP2298077A1
78030-EP2298762A2
78030-EP2301353A1
78030-EP2305031A1
78030-EP2305033A1
78030-EP2305034A1
78030-EP2305035A1
78030-EP2308866A1
78030-EP2371823A1
78030-EP2374791A1
Cyclohexanone, puriss., >=99.5% (GC)
cyclohexanon, homopolymer (mittlere molmasse 415-750 g/mol)
Cyclohexanone, puriss. p.a., >=99.5% (GC)
InChI=1/C6H10O/c7-6-4-2-1-3-5-6/h1-5H
Microorganism:

Yes

IUPAC namecyclohexanone
SMILESC1CCC(=O)CC1
InchiInChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h1-5H2
FormulaC6H10O
PubChem ID7967
Molweight98.145
LogP1.49
Atoms17
Bonds17
H-bond Acceptor1
H-bond Donor0
Chemical ClassificationKetones

mVOC Specific Details

Volatilization
The Henry's Law constant for cyclohexanone, 9.00X10-6 atm-cu m/mol at 25 degC(1), may be used to estimated the volatilization half-lives of cyclohexanone from a model river and lake. Its half-life in a 1 m deep model river with a 1 m/s current and 3 m/s wind is 4.1 days(2). Its half-life in a model lake 1 m deep with a 0.05 m/s current and a 0.5 m/s wind is 33 days. In view of cyclohexanone's moderate vapor pressure, 4.33 mm Hg at 25 degC(3), and low soil adsorptivity, it would be expected to volatilize from surface layers of soil(2).
Literature: (1) Hawthorne SB et al; Environ Sci Technol 19: 992-7 (1985) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. NY,NY: McGraw Hill Book Co pp. 15-15 to 15-29 (1982) (3) Daubert TE, Danner RP; Physical and Thermodynamic Properties of Pure Chemicals. NY,NY: Hemisphere Publ. Corp. 4 Vol (1989)
Soil Adsorption
The Koc for cyclohexanone estimated using structure activity relationships (SAR) is 15(1). A Koc of 17 can be estimated from the water solubility, 23,000 mg/L(2), using a recommended regression equation(3). According to a suggested classification scheme(4), these Koc values indicate that cyclohexanone will be highly mobile in soil.
Literature: (1) Meylan WM, Howard PH; Environ Sci Technol 26: 1560-7 (1992) (2) Riddick JA et al; Organic Solvents, 4th ed pp. 344-5. NY,NY: Wiley (1986) (3) Lyman WJet al; Handbook of Chemical Property Estimation Methods. NY,NY: McGraw Hill Book Co (1982) (4) Swann RL et al; Res Rev 85: 17-28 (1983)
Vapor Pressure
PressureReference
5 mm Hg at 26.4 deg CThe Merck Index. 10th ed. Rahway, New Jersey: Merck Co., Inc., 1983., p. 391
MS-Links
1D-NMR-Links

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaCalothrix Spp.n/aHoeckelmann and Juettner, 2004
BacteriaPedobacter Sp. V48narhizosphere of Marram grass in sandy dune soils, NetherlandsGarbeva et al., 2014
BacteriaPlectonema Sp.n/aHoeckelmann and Juettner, 2004
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaCalothrix Spp.n/an/a
BacteriaPedobacter Sp. V48sand containing artificial root exudatesGC/MSNo
BacteriaPlectonema Sp.n/an/a