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3-cyclohexene-1-carboxylic acid, 2,6,6-trimethyl-, methyl ester

Chemical Structure

General Material Information

Preferred name 3-cyclohexene-1-carboxylic acid, 2,6,6-trimethyl-, methyl ester
Trivial Name Methyl 2,6,6-trimethyl-3-cyclohexene-1-carboxylate
Short Description firascone (Firmenich)
Formula C11 H18 O2
CAS Number 815580-59-7
FDA UNII Search
xLogP3-AA 2.80 (est)
NMR Predictor External link
Synonyms
  • firascone (Firmenich)
  • 2,6,6-trimethyl-3-cyclohexene-1-carboxylic acid methyl ester
  • 2,6,6-trimethyl-3-cyclohexene-1-carboxylic acid, methyl ester
  • methyl 2,6,6-trimethylcyclohex-3-ene-1-carboxylate
  • Methyl 2,6,6-trimethyl-3-cyclohexene-1-carboxylate
  • 2,6,6-Trimethyl-3-cyclohexene-1-carboxylic acid methyl ester

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

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 182.26286315918
Solubility
alcohol Yes
water, 35.98 mg/L @ 25 °C (est) Yes
Stability
APC: traces - 1% Unspecified
candle: traces - 1% Unspecified
detergent: traces - 2% Unspecified
fine fragrances: traces - 1% Unspecified
shampoo: traces - 0.5% Unspecified
shower gel: traces - 0.5% Unspecified
soap: traces - 2% Unspecified
softener: traces - 2% Unspecified

Organoleptic Properties

Odor Type: Floral
rose, fruity, floral, saffron
Odor strength high , recommend smelling in a 1.00 % solution or less
Substantivity 3 hour(s) at 100.00 %
General comment At 1.00 % in dipropylene glycol. rose fruity damascone saffron
Due to its clean regulatory profile, Firascone can be used like traditional Damascones, without the dosage limitations. Rosy-fruity, Damascone, saffron note

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:
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 3-cyclohexene-1-carboxylic acid, 2,6,6-trimethyl-, methyl ester 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):815580-59-7
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :12082921
National Institute of Allergy and Infectious Diseases:Data
methyl 2,6,6-trimethylcyclohex-3-ene-1-carboxylate
Chemidplus:0815580597