Articles:
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bicyclo[2.2.1]hept-5-ene-2-carboxylic acid, 1,6-dimethyl-5-(1-methylethenyl)-, methyl ester
Notes:
None found
| Fragrance Demo Formulas | ||
| CAS Number: | 68698-57-7 |  3D/inchi
|
| ECHA EINECS - REACH Pre-Reg: | 272-085-4 | |
| FDA UNII: | Search | |
| Nikkaji Web: | J332.588A | |
| XlogP3-AA: | 2.90 (est) | |
| Molecular Weight: | 220.31180000 | |
| Formula: | C14 H20 O2 | |
| NMR Predictor: | Predict (works with chrome, Edge or firefox) | |
Category: fragrance agents
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
| Google Scholar: | Search |
| Google Books: | Search |
| Google Scholar: with word "volatile" | Search |
| Google Scholar: with word "flavor" | Search |
| Google Scholar: with word "odor" | Search |
| Perfumer and Flavorist: | Search |
| Google Patents: | Search |
| US Patents: | Search |
| EU Patents: | Search |
| Pubchem Patents: | Search |
| PubMed: | Search |
| NCBI: | Search |
Physical Properties:
| Appearance: | yellow clear liquid (est) |
| Assay: | 94.00 to 100.00 % |
| Food Chemicals Codex Listed: | No |
| Boiling Point: | 281.00 to 282.00 °C. @ 760.00 mm Hg |
| Vapor Pressure: | 0.003000 mmHg @ 25.00 °C. (est) |
| Flash Point: | 225.00 °F. TCC ( 107.22 °C. ) |
| logP (o/w): | 4.644 (est) |
| Soluble in: | |
| alcohol | |
| water, 2.909 mg/L @ 25 °C (est) | |
| Insoluble in: | |
| water | |
Organoleptic Properties:
| Odor Type: woody | |
| Odor Strength: | medium |
| Substantivity: | 80 hour(s) at 100.00 % |
| dry woody peppery citrus | |
| Odor Description: at 100.00 %. | dry woody peppery citrus Luebke, William tgsc, (1996) |
| Odor and/or flavor descriptions from others (if found). | |
Cosmetic Information:
| None found |
Suppliers:
| None found |
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 methyl vetivate usage levels up to: | |||
| 2.0000 % in the fragrance concentrate. | |||
| Recommendation for methyl vetivate 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): | 68698-57-7 |
| EPA ACToR: | Toxicology Data |
| EPA Substance Registry Services (SRS): | Registry |
| Laboratory Chemical Safety Summary : | 111351 |
| National Institute of Allergy and Infectious Diseases: | Data |
| methyl 1,2-dimethyl-3-prop-1-en-2-ylbicyclo[2.2.1]hept-2-ene-6-carboxylate | |
| Chemidplus: | 0068698577 |
References:
| methyl 1,2-dimethyl-3-prop-1-en-2-ylbicyclo[2.2.1]hept-2-ene-6-carboxylate | |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 111351 |
| Pubchem (sid): | 135067183 |
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 |
Potential Blenders and core components note
Potential Uses:
| amber | FR | |
| oriental | FR | |
| patchouli | FR | |
| sandalwood | FR | |
| woody | FR |
Occurrence (nature, food, other): note
| not found in nature |
Synonyms:
| bicyclo(2.2.1)hept-5-ene-2-carboxylic acid, 1,6-dimethyl-5-(1-methylethenyl)-, methyl ester | |
| bicyclo[2.2.1]hept-5-ene-2-carboxylic acid, 1,6-dimethyl-5-(1-methylethenyl)-, methyl ester | |
| 1,6- | dimethyl-2-carbomethoxy-5-isopropenyl-5-norbornene |
| methyl 1,2-dimethyl-3-prop-1-en-2-yl bicyclo(2.2.1)hept-2-ene-6-carboxylate | |
| methyl 1,2-dimethyl-3-prop-1-en-2-ylbicyclo[2.2.1]hept-2-ene-6-carboxylate | |
| methyl 1,6-dimethyl-5-(1-methyl vinyl) bicyclo(2.2.1)hept-5-ene-2-carboxylate | |
| methyl 1,6-dimethyl-5-(1-methylvinyl)bicyclo(2.2.1)hept-5-ene-2-carboxylate | |
| methyl 1,6-dimethyl-5-(1-methylvinyl)bicyclo[2.2.1]hept-5-ene-2-carboxylate | |
| methyl 1,6-dimethyl-5-(prop-1-en-2-yl)bicyclo[2.2.1]hept-5-ene-2-carboxylate |