cyclooctanone
cyclooctan-1-one
Identification
| Name | cyclooctanone |
| CAS Number | 502-49-8 |
| EINECS | 207-940-2 |
| FDA UNII | Z4GO9P8SUZ |
| Molecular Formula | C8 H14 O |
| Molecular Weight | 126.19878000 |
| MDL Number | MFCD00001754 |
| Nikkaji Number | J6.200F |
| Beilstein | 1280738 |
| XlogP3 | 1.90 (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 SDS | View |
| Oral/Parenteral Toxicity | intraperitoneal-mouse LDLo 740 mg/kg |
| Dermal Toxicity | Not determined |
| Inhalation Toxicity | Not determined |
GHS Classification
['GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)', 'GHS Label elements, including precautionary statements']
Safety in Use
| Category | information only not used for fragrances or flavors |
| Recommendation for cyclooctanone usage levels up to | not for fragrance use. |
| Recommendation for cyclooctanone flavor usage levels up to | not for flavor use. |
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Potential Uses
Natural Occurrence
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].