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3-cyclohexene-1-carboxylic acid, 2,6,6-trimethyl-, methyl ester
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 |
|
US / EU / FDA / JECFA / FEMA / Scholar / Patents
| Google Scholar | Start search |
| Google Books | Start search |
| Google Patents | Start search |
| Perfumer & Flavorists | Start search |
| EU Patents | Start search |
| PubMeb | Start search |
| NCBI | Start search |
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 |