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fir carboxylate
General Material Information
| Preferred name | fir carboxylate |
| Trivial Name | Methyl 3,3-dimethylbicyclo[2.2.1]heptane-2-carboxylate |
| Short Description | cistulate (Givaudan) |
| Formula | C11 H18 O2 |
| CAS Number | 52557-97-8 |
| ECHA Number | 258-005-0 |
| 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 |
| Specific gravity | @ 25 °C |
| Pounds per Gallon | 8.338 to 8.379 |
| Refractive Index | 1.466 to 1.47 @ 20 °C |
| Vapor Pressure | 0.148 mmHg @ 25 °C |
| Flash Point TCC Value | 93.89 °C TCC |
| logP (o/w) | 3.235 est |
| Solubility | |
| alcohol | Yes |
| water, 66.57 mg/L @ 25 °C (est) | Yes |
| water | No |
Organoleptic Properties
| Odor Type: Balsamic | |
| natural, pine, fir needle, green, fruity, woody | |
| Odor strength | medium |
| Substantivity | 28 hour(s) at 100.00 % |
| Luebke, William tgsc, (1991) | At 100.00 %. natural pine fir green fruity woody |
| Cistulate is a Mediterranean pine ingredient with a cistus character. At levels of up to 2% Cistulate modifies and freshens the top notes particularly in herbal and pine fragrances adding diffusivity, warmth and interest. | Pine, Citrus, Fresh |
Potential Uses
| Applications | |
| Odor purposes | Amber , Balsam , Fresh and clean , Herbal , Pine , Sage , Woody |
| Other purposes | Fir , Natural |
| Cosmetic purposes | Perfuming agents |
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: | |
| oral-mammal (species unspecified) LD50 5000 mg/kg Pesticide & Toxic Chemical News. Vol. 9(45), Pg. 4, 1981. | |
| 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 fir carboxylate usage levels up to: | |||
| 2.0000 % in the fragrance concentrate. | |||
| Recommendation for fir carboxylate 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):52557-97-8 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :103659 |
| National Institute of Allergy and Infectious Diseases:Data |
| methyl 6,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate |
| Chemidplus:0052557978 |