cyclooctanone

cyclooctan-1-one

CAS: 502-49-8 C8 H14 O MW: 126.19878000

Identification

Namecyclooctanone
CAS Number502-49-8
EINECS207-940-2
FDA UNIIZ4GO9P8SUZ
Molecular FormulaC8 H14 O
Molecular Weight126.19878000
MDL NumberMFCD00001754
Nikkaji NumberJ6.200F
Beilstein1280738
XlogP31.90 (est)

Regulatory

Physical Properties

Assay 95.00 to 100.00
Food Chemicals Codex Listed No
Melting Point 29.00 °C. @ 760.00 mm Hg
Boiling Point 196.00 °C. @ 760.00 mm Hg
Vapor Pressure 0.500000 mmHg @ 25.00 °C. (est)
Flash Point 163.00 °F. TCC ( 72.80 °C. ) (est)
logP (o/w) 1.890 (est)
Soluble in water, 1507 mg/L @ 25 °C (est)

No sensory data available

Safety Information

Preferred SDSView
Oral/Parenteral Toxicityintraperitoneal-mouse LDLo 740 mg/kg
Dermal ToxicityNot determined
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 cyclooctanone usage levels up tonot for fragrance use.
Recommendation for cyclooctanone flavor usage levels up tonot for flavor use.

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Potential Uses

None Found

Natural Occurrence

not found in nature

Synonyms

cyclooctan-1-one PubMed: The conformational analysis of 2-halocyclooctanones. PubMed: Molecular modeling, quantum polarized ligand docking and structure-based 3D-QSAR analysis of the imidazole series as dual AT(1) and ET(A) receptor antagonists. PubMed: Phase transition from liquid to disordered solid phase of cyclooctanone studied with dielectric methods. PubMed: Reactions of OH radicals with C6-C10 cycloalkanes in the presence of NO: isomerization of C7-C10 cycloalkoxy radicals. PubMed: Synthesis and antimicrobial evaluation of some new cyclooctanones and cyclooctane-based heterocycles. PubMed: Rh(I)-catalyzed intramolecular [3 + 2] cycloaddition of trans-vinylcyclopropane-enes. PubMed: Effect of cation absorption on ionization/dissociation of cycloketone molecules in a femtosecond laser field. PubMed: Synthesis of 2H-1,2-benzothiazine 1,1-dioxides via heteroannulation reactions of 2-iodobenzenesulfonamide with ketone enolates under S(RN)1 conditions. PubMed: A novel and efficient synthesis of bicyclo[2.2.2]octenones and sigmatropic shifts in ground and excited states: stereoselective route to cis-decalins and diquinane frameworks. PubMed: Intramolecular aldol cyclization of C-4-ulopyranosyl-2'-oxoalkanes controlled by steric effects. Asymmetric synthesis of substituted 8-oxabicyclo[3.2.1]octanones and -octenones and cyclopentenones. PubMed: Synthesis of stereoisomeric medium-ring alpha,alpha'-dihydroxy cycloalkanones. 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: In vitro co-metabolism of ethanol and cyclic ketones. PubMed: Selective oxidation of cyclooctane to cyclootanone with molecular oxygen in the presence of compressed carbon dioxide. PubMed: Total synthesis of (+/-)-asteriscanolide. PubMed: Efficient One-Pot Synthesis of Dithieno(dibenzothieno)-Fused Cycloheptanones, Tropones, and Cyclooctanones. PubMed: A straightforward route to stereodefined functionalized cycloheptanols and cyclooctanols. PubMed: Preparation of useful synthetic intermediates of Taxol analogs, cyclooctenone derivatives. PubMed: Construction of AB-ring system of taxane framework by A-ring annulation strategy: synthesis of 1-hydroxy-8,11,11-trimethylbicyclo-[5.3.1]undec-7-en-9-one by way of intramolecular aldol cyclization to form the C1-C10 bond. PubMed: Cascade Rearrangement of 5-Cyclopentylidenecyclooctanones. PubMed: Complexation of the tissue plasminogen activator protease with benzamidine-type inhibitors: interference by the kringle 2 module. PubMed: Effects of external chemical environment on the developing olfactory bulbs of the mouse (Mus musculus). PubMed: Metabolic studies with nonnutritive sweeteners cyclooctylsulfamate and 4-methylcyclohexylsulfamate. PubMed: Hypolipidemic activity of 2,8-dibenzyl-cyclooctanone in rats. PubMed: Cycloalkanones. 6. Separation of hypocholesterolemic and antifertility activities in derivatives of 2,8-dibenzylcyclooctanone. PubMed: Cycloalkanones. 3. Structure-activity relationships of hypocholesterolemic cyclooctanone derivatives. PubMed: [Acetolysis of piperidinomethyl-cyclooctanone].