Identification

Namecycloheptanone
IUPACcycloheptanone
CAS Number502-42-1
EINECS207-937-6
FDA UNIIQH80295937
Molecular FormulaC7 H12 O
Molecular Weight112.17184000
MDL NumberMFCD00004159
Nikkaji NumberJ6.199I
Beilstein969823

Regulatory

Physical Properties

Assay 95.00 to 100.00
Food Chemicals Codex Listed No
Specific Gravity 0.95200 to 0.95500 @ 20.00 °C.
Pounds per Gallon - (est). 7.931 to 7.956
Refractive Index 1.46000 to 1.46300 @ 20.00 °C.
Boiling Point 178.50 °C. @ 760.00 mm Hg
Flash Point 132.00 °F. TCC ( 55.56 °C. )
Soluble in water, 4450 mg/L @ 25 °C (est)

No sensory data available

Safety Information

Preferred SDSView
Oral/Parenteral Toxicityintraperitoneal-mouse LDLo 750 mg/kg
Dermal Toxicitysubcutaneous-mouse LDLo 930 mg/kg
Inhalation ToxicityNot determined

GHS Classification

['GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)', 'GHS Label elements, including precautionary statements']

Safety in Use

Categoryinformation only not used for fragrances or flavors
Recommendation for cycloheptanone usage levels up tonot for fragrance use.
Recommendation for cycloheptanone flavor usage levels up tonot for flavor use.

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Potential Uses

None Found

Natural Occurrence

not found in nature

Synonyms

1-oxo cycloheptane keto heptamethylene suberone PubMed: Tris(1,2-diphenylethylenediamine)cobalt(III) Complexes: Chiral Hydrogen Bond Donor Catalysts for Enantioselective α-Aminations of 1,3-Dicarbonyl Compounds. PubMed: Molecular Structure and Photoinduced Intramolecular Hydrogen Bonding in 2-Pyrrolylmethylidene Cycloalkanones. PubMed: Synergistic Catalysis: Metal/Proton-Catalyzed Cyclization of Alkynones Toward Bicyclo[3.n.1]alkanones. PubMed: Synthesis by ring-closing alkyne metathesis with selective hydrogenation, and olfactory comparison of (7E)- and (7Z)-cyclohexadec-7-enone (Aurelione(®) ). PubMed: Method transfer from high-pressure liquid chromatography to ultra-high-pressure liquid chromatography. I. A thermodynamic perspective. PubMed: Effect of hydration on the kinetics of proton-bound dimer formation: experimental and theoretical study. PubMed: (2E,7E)-2,7-Bis[(thio-phen-2-yl)methyl-idene]cyclo-hepta-none. 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PubMed: Beyond the corey reaction: one-step diolefination of cyclic ketones. PubMed: Organocatalytic regioselective Michael additions of cyclic enones via asymmetric phase transfer catalysis. PubMed: 2-Phenylthio-3-bromopropene, a valuable synthon, easily prepared by a simple rearrangement. PubMed: Studies of the condensation of sulfones with ketones and aldehydes. PubMed: Factor Xa inhibitors (Berlex). PubMed: Synthesis and fungicidal activity of novel 2-oxocycloalkylsulfonylureas. PubMed: Regioselective samarium diiodide induced couplings of carbonyl compounds with 1,3-diphenylallene and alkoxyallenes: a new route to 4-hydroxy-1-enol ethers. PubMed: Synthesis of curcumin analogues as potential antioxidant, cancer chemopreventive agents. PubMed: The development of a facile tandem Wolff/Cope rearrangement for the synthesis of fused carbocyclic skeletons. PubMed: 4-oxa-1-azabicyclo[3.2.0]heptan-7-one derivatives as anti-tumor agents. PubMed: Microspheres based on inulin for the controlled release of serine protease inhibitors: preparation, characterization and in vitro release. PubMed: The formation of bicyclo[n.2.0]alkan-1-ols from the reaction of the lithium enolates of simple ketones and phenyl vinyl sulfoxide. PubMed: Homolytic 1,5-transfer of chiral organosilicon groups from an enoxy oxygen to an alkoxy oxygen--implications for mechanism. PubMed: Enantioselective deprotonation of meso-cycloheptanone derivative: application to the synthesis of a potential intermediate for pseudomonic acid B. PubMed: Synthesis and acetylcholinesterase/butyrylcholinesterase inhibition activity of 4-amino-2, 3-diaryl-5, 6, 7, 8-tetrahydrofuro(and thieno)[2, 3-b]-quinolines, and 4-amino-5, 6, 7, 8, 9-pentahydro-2, 3-diphenylcyclohepta[e]furo(and thieno)-[2, 3-b]pyridines. PubMed: In vitro co-metabolism of ethanol and cyclic ketones. PubMed: Stereoselective synthesis of cycloheptanone derivatives via an intermolecular [5 + 2] cycloaddition reaction. PubMed: Highly efficient antibody-catalyzed deuteration of carbonyl compounds. PubMed: A straightforward route to stereodefined functionalized cycloheptanols and cyclooctanols. PubMed: Development of an high-performance liquid chromatographic simulated moving bed separation from an industrial perspective. PubMed: Synthesis, characterization, and structure-activity relationships of amidine-substituted (bis)benzylidene-cycloketone olefin isomers as potent and selective factor Xa inhibitors. PubMed: Conformational and quantitative structure-activity relationship study of cytotoxic 2-arylidenebenzocycloalkanones. PubMed: Complexation of the tissue plasminogen activator protease with benzamidine-type inhibitors: interference by the kringle 2 module. PubMed: Convulsant and anticonvulsant cyclopentanones and cyclohexanones. PubMed: Synthetic inhibitors of bovine factor Xa and thrombin comparison of their anticoagulant efficiency. PubMed: Gel ointment of verapamil for percutaneous absorption. PubMed: Metabolic studies with the nonnutritive sweetener cycloheptylsulfamate.