Articles:
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1-penten-3-ol, 1-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, acetate
Notes:
None found
| CAS Number: | 137085-37-1 |  3D/inchi
|
| FDA UNII: | Search | |
| XlogP3-AA: | 4.10 (est) | |
| Molecular Weight: | 250.38162000 | |
| Formula: | C16 H26 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: | colorless claer liquid (est) |
| Assay: | 90.00 to 100.00 % sum of isomers |
| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 0.92000 to 0.94000 @ 25.00 °C. |
| Pounds per Gallon - (est).: | 7.655 to 7.822 |
| Refractive Index: | 1.46000 to 1.48000 @ 20.00 °C. |
| Boiling Point: | 322.00 to 324.00 °C. @ 760.00 mm Hg |
| Vapor Pressure: | 0.000254 mmHg @ 25.00 °C. (est) |
| Flash Point: | 230.00 °F. TCC ( 110.00 °C. ) |
| logP (o/w): | 5.400 (est) |
| Soluble in: | |
| alcohol | |
| water, 0.1336 mg/L @ 25 °C (est) | |
| Insoluble in: | |
| water | |
Organoleptic Properties:
| Odor Type: berry | |
| raspberry berry | |
| Odor Description: at 100.00 %. | raspberry |
| 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 beta-ionyl acetate 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): | 137085-37-1 |
| EPA ACToR: | Toxicology Data |
| EPA Substance Registry Services (SRS): | Registry |
| Laboratory Chemical Safety Summary : | 6450542 |
| National Institute of Allergy and Infectious Diseases: | Data |
| [(E,3S)-1-(2,6,6-trimethylcyclohexen-1-yl)pent-1-en-3-yl] acetate | |
| Chemidplus: | 0137085371 |
References:
| [(E,3S)-1-(2,6,6-trimethylcyclohexen-1-yl)pent-1-en-3-yl] acetate | |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 6450542 |
| Pubchem (sid): | 135235183 |
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:
| raspberry | FR |
Occurrence (nature, food, other): note
| not found in nature |
Synonyms:
| methyl b-ionyl acetate | |
| 1- | penten-3-ol, 1-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, acetate |
| 1-(2,6,6- | trimethyl-1-cyclohexen-1-yl)-1-penten-3-ol acetate |
| [(E,3S)-1-(2,6,6- | trimethylcyclohexen-1-yl)pent-1-en-3-yl] acetate |