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cyclohexene, 1,2,3-trimethyl-
Notes:
None found
| CAS Number: | 68555-95-3 |  3D/inchi
|
| ECHA EINECS - REACH Pre-Reg: | 271-464-1 | |
| Nikkaji Web: | J11.592D | |
| XlogP3-AA: | 3.00 (est) | |
| Molecular Weight: | 124.22652000 | |
| Formula: | C9 H16 | |
| NMR Predictor: | Predict (works with chrome 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 |
| PubMed: | Search |
| NCBI: | Search |
Physical Properties:
| Appearance: | colorless clear liquid (est) |
| Assay: | 95.00 to 100.00 % sum of isomers |
| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 0.78500 to 0.79500 @ 25.00 °C. |
| Pounds per Gallon - (est).: | 6.532 to 6.615 |
| Refractive Index: | 1.43000 to 1.44500 @ 20.00 °C. |
| Boiling Point: | 32.00 °C. @ 30.00 mm Hg |
| Vapor Pressure: | 8.215000 mmHg @ 25.00 °C. (est) |
| Flash Point: | 60.00 °F. TCC ( 15.56 °C. ) |
| logP (o/w): | 4.249 (est) |
| Soluble in: | |
| alcohol | |
| water, 5.119 mg/L @ 25 °C (est) | |
| Insoluble in: | |
| water | |
Organoleptic Properties:
| Odor Type: citrus | |
| Odor Strength: | medium , recommend smelling in a 10.00 % solution or less |
| Substantivity: | 8 hour(s) at 100.00 % |
| lime citrus lemon herbal terpenic | |
| Odor Description: at 10.00 % in dipropylene glycol. | lime citrus lemon herbal terpene Luebke, William tgsc, (1989) |
| Odor and/or flavor descriptions from others (if found). | |
| Bedoukian Research | |
| TRIMETHYL CYCLOHEXENE | |
| Odor Description: | A strong lemon-lime topnote For use in citrus compositions requiring a lemon-lime lift. |
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 | ||
| IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice | |||
| Recommendation for trimethyl cyclohexene usage levels up to: | |||
| 5.0000 % in the fragrance concentrate. | |||
| Recommendation for trimethyl cyclohexene flavor usage levels up to: | |||
| not for flavor use. | |||
Safety References:
| EPI System: | View |
| EPA Substance Registry Services (TSCA): | 68555-95-3 |
| EPA ACToR: | Toxicology Data |
| EPA Substance Registry Services (SRS): | Registry |
| National Institute of Allergy and Infectious Diseases: | Data |
| WISER: | UN 1993 |
| WGK Germany: | 2 |
| 1,2,3-trimethylcyclohexene | |
| Chemidplus: | 0068555953 |
References:
| 1,2,3-trimethylcyclohexene | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 68555-95-3 |
| Pubchem (cas): | 68555-95-3 |
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:
| citrus | FR | |
| herbal | FR | |
| lemon | FR | |
| lime | FR | |
| orange | FR |
Occurrence (nature, food, other): note
| not found in nature |
Synonyms:
| cyclohexene, 1,2,3-trimethyl- | |
| 1,2,3- | trimethyl cyclohexene |
| 1,2,3- | trimethylcyclohexene |