cycloheptanone
suberone
Identification
| Name | cycloheptanone |
| IUPAC | cycloheptanone |
| CAS Number | 502-42-1 |
| EINECS | 207-937-6 |
| FDA UNII | QH80295937 |
| Molecular Formula | C7 H12 O |
| Molecular Weight | 112.17184000 |
| MDL Number | MFCD00004159 |
| Nikkaji Number | J6.199I |
| Beilstein | 969823 |
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 SDS | View |
| Oral/Parenteral Toxicity | intraperitoneal-mouse LDLo 750 mg/kg |
| Dermal Toxicity | subcutaneous-mouse LDLo 930 mg/kg |
| 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 cycloheptanone usage levels up to | not for fragrance use. |
| Recommendation for cycloheptanone flavor usage levels up to | not for flavor use. |
Penta International Corporation
Chemistry innovation
At Penta, our products and services help businesses do business better.
Potential Uses
Natural Occurrence
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.
PubMed:
Synthesis of dibenzocyclohepten-5-ones by electrophilic iodocyclization of 1-([1,1'-biphenyl]-2-yl)alkynones.
PubMed:
Fast estimation of adsorption isotherm parameters in gradient elution preparative liquid chromatography II: the competitive case.
PubMed:
Chiral picolylamines for Michael and aldol reactions: probing substrate boundaries.
PubMed:
1,2,4,5-Tetrakis(phenylsulfonyl)benzene: a novel quadruped host with D2 symmetry having ordered sulfolane and cycloheptanone guests.
PubMed:
Effect of alicyclic ring size on the photophysical and photochemical properties of bis(arylidene)cycloalkanone compounds.
PubMed:
Total synthesis of ent-calystegine B4 via nitro-Michael/aldol reaction.
PubMed:
An automated microscale platform for evaluation and optimization of oxidative bioconversion processes.
PubMed:
Reactions of OH radicals with C6-C10 cycloalkanes in the presence of NO: isomerization of C7-C10 cycloalkoxy radicals.
PubMed:
Structure elucidation of two new unusual monoterpene glycosides from Euphorbia decipiens, by 1D and 2D NMR experiments.
PubMed:
Optimization of startup and shutdown operation of simulated moving bed chromatographic processes.
PubMed:
An approach toward homocalystegines and silyl-homocalystegines. acid-mediated migrations of acetates in seven-membered ring systems.
PubMed:
Synthetic studies on schisandra nortriterpenoids. Stereocontrolled synthesis of enantiopure C-5-epi ABC ring systems of micrandilactone A and lancifodilactone G using RCM.
PubMed:
Thermally induced dissolution/precipitation--a simple approach for the preparation of macroporous monoliths from linear aliphatic polyamides.
PubMed:
Stereoselective construction of seven-membered rings with an all-carbon quaternary center by direct Tiffeneau-Demjanov-type ring expansion.
PubMed:
Effect of cation absorption on ionization/dissociation of cycloketone molecules in a femtosecond laser field.
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.