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calarene epoxide

Chemical Structure

General Material Information

Preferred name calarene epoxide
Trivial Name Calarene epoxide
Short Description cyclopropa(5,6)naphth(1,8a-b)oxirene, decahydro-1,7,7,7b-tetramethyl-, (1R,3aS,4aR,6aR,7aS,7bR)-
Formula C15 H24 O
CAS Number 68926-75-0
ECHA Number 272-995-1
FDA UNII Search
xLogP3-AA 3.70 (est)
NMR Predictor External link
Synonyms
  • cyclopropa(5,6)naphth(1,8a-b)oxirene, decahydro-1,7,7,7b-tetramethyl-, (1R,3aS,4aR,6aR,7aS,7bR)-
  • (1R-(1alpha,3abeta,4aR*,6aalpha,7aalpha,7balpha))- decahydro-1,7,7,7b-tetramethyl cyclopropa(5,6)naphth(1,8a-b)oxirene
  • (1R,3aS,4aR,6aR,7aS,7bR)- decahydro-1,7,7,7b-tetramethyl cyclopropa(5,6)naphth(1,8a-b)oxirene
  • decahydro-1,7,7,7b-tetramethyl cycloprope(5,6)naphth(1,8a-b)oxirene
  • Cyclopropa[5,6]naphth[1,8a-b]oxirene, decahydro-1,7,7,7b-tetramethyl-, (1R,3aS,4aR,6aR,7aS,7bR)-
  • Cyclopropa[5,6]naphth[1,8a-b]oxirene, decahydro-1,7,7,7b-tetramethyl-, [1R-(1α,3aβ,4aR*,6aα,7aα,7bα)]-
  • (1R,3aS,4aR,6aR,7aS,7bR)-Decahydro-1,7,7,7b-tetramethylcyclopropa[5,6]naphth[1,8a-b]oxirene

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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
HMDB (The Human Metabolome Database):Search
ChemSpider:View
Wikipedia:View

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 220.35548400879
Boiling Point 264 to 265°C @ 760 mm Hg
Vapor Pressure 0.016 mmHg @ 25 °C
Flash Point TCC Value 96.6 °C TCC
logP (o/w) 4.326 est
Solubility
alcohol Yes
water, 3.384 mg/L @ 25 °C (est) Yes
water No

Organoleptic Properties

Odor Type: Woody
woody, patchouli, ambergris
General comment At 100.00 %. radiant woody patchouli ambergris

Potential Uses

Applications
Odor purposes Ambergris, Patchouli, Woody

Safety Information

Safety information

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:
natural substances and extractives
Recommendation for calarene epoxide usage levels up to:
not for fragrance use.
Recommendation for calarene epoxide 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):68926-75-0
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :111446
National Institute of Allergy and Infectious Diseases:Data
Chemidplus:0068926750