EU/US Properties Organoleptics Cosmetics Suppliers Safety Safety in use Safety references References Other Blenders Uses Occurrence Synonyms Articles Notes
 

cyclooctanone
cyclooctan-1-one

Supplier Sponsors

CAS Number: 502-49-8Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:207-940-2
FDA UNII: Z4GO9P8SUZ
Nikkaji Web:J6.200F
Beilstein Number:1280738
MDL:MFCD00001754
XlogP3:1.90 (est)
Molecular Weight:126.19878000
Formula:C8 H14 O
BioActivity Summary:listing
NMR Predictor:Predict (works with chrome, Edge or firefox)
Category:information only not used for fragrances or flavors
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar:Search
Google Books:Search
Google Scholar: with word "volatile"Search
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Google Scholar: with word "odor"Search
Google Patents:Search
US Patents:Search
EU Patents:Search
Pubchem Patents:Search
PubMed:Search
NCBI:Search
 
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)
 
Organoleptic Properties:
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
BOC Sciences
For experimental / research use only.
Cyclooctanone 95%
EMD Millipore
For experimental / research use only.
Cyclooctanone
sds
Santa Cruz Biotechnology
For experimental / research use only.
Cyclooctanone ≥98%
Sigma-Aldrich: Aldrich
For experimental / research use only.
Cyclooctanone 98%
sds
TCI AMERICA
For experimental / research use only.
Cyclooctanone >97.0%(GC)
sds
 
Safety Information:
Preferred SDS: View
 
Hazards identification
 
Classification of the substance or mixture
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)
None found.
GHS Label elements, including precautionary statements
 
Pictogram
 
Hazard statement(s)
None found.
Precautionary statement(s)
None found.
Oral/Parenteral Toxicity:
intraperitoneal-mouse LDLo 740 mg/kg
BEHAVIORAL: EXCITEMENT CARDIAC: ARRHYTHMIAS (INCLUDING CHANGES IN CONDUCTION) BEHAVIORAL: COMA
Comptes Rendus Hebdomadaires des Seances, Academie des Sciences. Vol. 254, Pg. 2245, 1962.

Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
 
Safety in Use Information:
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.
 
Safety References:
EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):502-49-8
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :10403
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:3
cyclooctanone
Chemidplus:0000502498
RTECS:GX9800000 for cas# 502-49-8
 
References:
 cyclooctanone
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):10403
Pubchem (sid):134978592
 
Other Information:
(IUPAC):Atomic Weights of the Elements 2011 (pdf)
Videos:The Periodic Table of Videos
tgsc:Atomic Weights use for this web site
(IUPAC):Periodic Table of the Elements
CHEMBL:View
HMDB (The Human Metabolome Database):Search
Export Tariff Code:2914.29.5000
ChemSpider:View
 
Potential Blenders and core components note
None Found
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 not found in nature
 
Synonyms:
 cyclooctan-1-one
 

Articles:

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].
 
Notes:
None found
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