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2-cyclohexyl cyclohexanone

Chemical Structure

General Material Information

Preferred name 2-cyclohexyl cyclohexanone
Trivial Name 2-Cyclohexylcyclohexanone
Short Description bicyclohexanone P (IFF)
Formula C12 H20 O
CAS Number 90-42-6
Deleted CAS Number 112684-84-1
ECHA Number 201-991-4
FDA UNII B3QU3533W8
Nikkaji Number J41.835H
Beilstein Number 1865785
MDL MFCD00013795
NMR Predictor External link
Synonyms
  • 1,1'- bi(cyclohexyl)-2-one
  • bicyclohexanone P (IFF)
  • (1,1'- bicyclohexyl)-2-one
  • [1,1'- bicyclohexyl]-2-one
  • [1,1'- biphenyl]-2-ol
  • cyclohexanone, 2-cyclohexyl-
  • 2-cyclohexyl cyclohexan-1-one
  • 2-cyclohexylcyclohexan-1-one
  • cyclohexylcyclohexanone
  • 2-cyclohexylcyclohexanone
  • o- diphenylol
  • dorvicide A
  • 2-hydroxybifenyl
  • lavamenthe
  • 2-phenylcyclohexanone
  • tumescal 0PE
  • o- xenol
  • o- xonal
  • 2-cyclohexylcyclohexan-1-one
  • [1,1′-Bicyclohexyl]-2-one
  • 2-Cyclohexylcyclohexanone
  • NSC 22249

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
Export Tariff Code:2914.29.5000
ChemSpider:View

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 180.2906036377
Specific gravity @ 25 °C
Pounds per Gallon 8.08 to 8.13
Refractive Index 1.485 to 1.49 @ 20 °C
Boiling Point 264 to 265°C @ 760 mm Hg
Acid Value 5 max KOH/g
Vapor Pressure 0.01 mmHg @ 25 °C
Flash Point TCC Value 93.33 °C TCC
logP (o/w) 3.81
Solubility
alcohol Yes
water, 30.41 mg/L @ 25 °C (est) Yes
water No

Organoleptic Properties

Odor Type: Herbal
cyclamen, sweet, herbal, cumin, minty, woody, orris, ozone
Odor strength medium
Substantivity 44 hour(s) at 100.00 %
Luebke, William tgsc, (1988) At 100.00 %. cyclamen sweet herbal cumin mint woody orris ozone

Potential Uses

Applications
Odor purposes Floral, Herbal, Lily, Orris, Woody
Other purposes Clean, Ozone
Cosmetic purposes Perfuming agents

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:
oral-rat LD50 5000 mg/kg
Raw Material Data Handbook, Vol.1: Organic Solvents, 1974. Vol. 1, Pg. 20, 1974.

Dermal Toxicity:
skin-rabbit LD50 > 7800 mg/kg
Raw Material Data Handbook, Vol.1: Organic Solvents, 1974. Vol. 1, Pg. 20, 1974.

Inhalation Toxicity:
Not determined

Safety in use information

Category:
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 2-cyclohexyl cyclohexanone usage levels up to:
8.0000 % in the fragrance concentrate.
Recommendation for 2-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):90-42-6
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :7016
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:2
2-cyclohexylcyclohexan-1-one
Chemidplus:0000090426
RTECS:DT7400000 for cas# 90-42-6