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4-cyclohexyl cyclohexanone

Chemical Structure

General Material Information

Preferred name 4-cyclohexyl cyclohexanone
Trivial Name [1,1′-Bicyclohexyl]-4-one
Short Description 4-cyclohexylcyclohexanone
Formula C12 H20 O
CAS Number 92-68-2
ECHA Number 202-178-7
FDA UNII 6SLH0OPI94
Nikkaji Number J99.554A
MDL MFCD00019468
Bio Activity Summary External link
NMR Predictor External link
Synonyms
  • (1,1'- bicyclohexyl)-4-one
  • p- cyclohexyl cyclohexanone
  • para- cyclohexyl cyclohexanone
  • 4-cyclohexylcyclohexan-1-one
  • 4-cyclohexylcyclohexanone
  • p- cyclohexylcyclohexanone
  • para- cyclohexylcyclohexanone
  • [1,1′-Bicyclohexyl]-4-one
  • Cyclohexanone, 4-cyclohexyl-
  • C 66
  • 4-Cyclohexylcyclohexanone
  • NSC 22250
  • NSC 33962
  • [1,1′-Bi(cyclohexan)]-4-one

US / EU / FDA / JECFA / FEMA / Scholar / Patents

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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
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 180.2906036377
Boiling Point 281 to 283°C @ 760 mm Hg
Vapor Pressure 0.003 mmHg @ 25 °C
Flash Point TCC Value 111.11 °C TCC
logP (o/w) 3.328 est
Shelf life 25 months (or longer if stored properly.)
Storage notes Store in cool, dry place in tightly sealed containers, protected from heat and light.
Solubility
alcohol Yes
water, 30.41 mg/L @ 25 °C (est) Yes
water No
Stability
alkali stable Unspecified

Organoleptic Properties

Odor Type: Floral
floral, orris, cyclamen, woody, ozone, fresh
General comment At 100.00 %. floral orris cyclamen woody ozone fresh

Potential Uses

Applications
Odor purposes Cyclamen , Floral , Fresh and clean , Herbal , Orris , Tobacco , Woody
Other purposes Ozone

Safety Information

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:
Not determined
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined

Safety in use information

Category:
cosmetic and fragrance agents
RIFM Fragrance Material Safety Assessment: Search
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice
Recommendation for 4-cyclohexyl cyclohexanone usage levels up to:
3.0000 % in the fragrance concentrate.
Recommendation for 4-cyclohexyl cyclohexanone 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):92-68-2
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :41690
National Institute of Allergy and Infectious Diseases:Data
4-cyclohexylcyclohexan-1-one
Chemidplus:0000092682