Compound: CYCLOHEXANONE
SMILES: O=C1CCCCC1
InChIKey: JHIVVAPYMSGYDF-UHFFFAOYSA-N
Synonyms: CYCLOHEXANONE, 108-94-1, Ketohexamethylene, Pimelic ketone, Sextone, Nadone, Anone, Anon, Hytrol O, Cyclohexanon, Hexanon, ketocyclohexane, Pimelin ketone, oxocyclohexane, Cicloesanone, Cykloheksanon, NCI-C55005, RCRA waste number U057, DTXSID6020359, EPA Pesticide Chemical Code 025902, 5QOR3YM052, NSC-5711, DTXCID00359, CHEBI:17854, RefChem:129639, 203-631-1, Hytrolo, Cyclic ketone, MFCD00001625, NSC 5711, cyclohexan-1-one, CHEMBL18850, Cyclohexanon [Dutch], Caswell No. 270, Cicloesanone [Italian], Cykloheksanon [Polish], CYH, CCRIS 5897, UNII-5QOR3YM052, CAS-108-94-1, HSDB 186, EINECS 203-631-1, UN1915, RCRA waste no. U057, cylcohexanone, cylohexanone, cyclo-hexanone, 2-cyclohexanone, 4-cyclohexanone, AI3-00041, Cyclohexanon(dutch), Cyclohexanone ACS grade, BDBM6, Cyclohexanone, 99.8%, WLN: L6VTJ, CYCLOHEXANONE [MI], bmse000405, EC 203-631-1, SCHEMBL3299, CYCLOHEXANONE [FHFI], CYCLOHEXANONE [HSDB], CYCLOHEXANONE [IARC], SCHEMBL65251, SCHEMBL72417, MLS002152896, orb342189, BIDD:ER0292, SCHEMBL250800, SCHEMBL378665, SCHEMBL713141, SCHEMBL770814, SCHEMBL975462, Cyclohexanone, LR, >=99%, FEMA No. 3909, SCHEMBL2640110, SCHEMBL3941209, SCHEMBL5676445, SCHEMBL7072753, SCHEMBL8040162, SCHEMBL8492266, SCHEMBL11819707, SCHEMBL19875838, Cyclohexanone, p.a., 99.0%, Cyclohexanone, AR, >=99.5%, NSC5711, Cyclohexanone, analytical standard, HMS3039C04, Tox21_202121, Tox21_302750, EBC-48143, MSK000094, s6236, SBB060074, STL183287, AKOS000119815, DB02060, FC02353, MSK000094-100A, RP10051, UN 1915, Cyclohexanone, ACS reagent, >=99.0%, Cyclohexanone, ReagentPlus(R), 99.8%, NCGC00091786-01, NCGC00091786-02, NCGC00256489-01, NCGC00259670-01, 9075-99-4, SMR001224507, Cyclohexanone 5000 microg/mL in Methanol, Cyclohexanone, puriss., >=99.5% (GC), Cyclohexanone, SAJ first grade, >=98.0%, DB-059799, Cyclohexanone, Selectophore(TM), >=99.5%, NS00001732, ST50214418, Cyclohexanone [UN1915]  [Flammable liquid], Cyclohexanone, JIS special grade, >=99.0%, Cyclohexanone, Vetec(TM) reagent grade, 98%, EN300-19567, C00414, Cyclohexanone, puriss. p.a., >=99.5% (GC), Cyclohexanone Solution in Acetonitrile, 100_g/mL, F046757, Q409178, F0001-0185, InChI=1/C6H10O/c7-6-4-2-1-3-5-6/h1-5H, Z104474256
Theoretical properties:
molecular_formula: C6H10O
molecular_weight: 98.14 g/mol
exact_mass: 98.073164938 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 0
hydrogen_bond_acceptor_count: 1
rotatable_bond_count: 0
heavy_atom_count: 7
topological_polar_surface_area: 17.1 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
physical_state: OILY LIQUID
color: OILY LIQUID
odor: ODOR REMINISCENT OF PEPPERMINT & ACETONE
boiling_point: 312.1 °F at 760 mmHg (NTP, 1992)
melting_point: 3 °F (NTP, 1992)
density: 0.945 at 68 °F (USCG, 1999) - Less dense than water; will float
solubility: 50 to 100 mg/mL at 64 °F (NTP, 1992)
flash_point: 111 °F (NTP, 1992)
vapor_pressure: 5.2 mmHg at 77 °F ; 10 mmHg at 101.7 °F (NTP, 1992)
Descriptions:
pubchem: Cyclohexanone is a cyclic ketone that consists of cyclohexane bearing a single oxo substituent. It has a role as a human xenobiotic metabolite.
chebi: A cyclic ketone that consists of cyclohexane bearing a single oxo substituent.
chembl: CYCLOHEXANONE is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: Cyclohexanone is the organic compound with the formula (CH2)5CO. The molecule consists of six-carbon cyclic molecule with a ketone functional group. This colorless oily liquid has a sweet odor reminiscent of benzaldehyde. Over time, samples of cyclohexanone assume a pale yellow color.
Cyclohexanone is slightly soluble in water and miscible with common organic solvents. Millions of tonnes are produced annually, mainly as a precursor to nylon.