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methyl beta-ionyl acetate
General Material Information
| Preferred name | methyl beta-ionyl acetate |
| Trivial Name | 1-Penten-3-ol, 1-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, 3-acetate |
| Short Description | 1-penten-3-ol, 1-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, acetate |
| Formula | C16 H26 O2 |
| CAS Number | 137085-37-1 |
| FDA UNII | Search |
| xLogP3-AA | 4.10 (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 | 250.38162231445 |
| Specific gravity | @ 25 °C |
| Pounds per Gallon | 7.655 to 7.822 |
| Refractive Index | 1.46 to 1.48 @ 20 °C |
| Boiling Point | 322 to 324°C @ 760 mm Hg |
| Vapor Pressure | 0.000254 mmHg @ 25 °C |
| Flash Point TCC Value | 110 °C TCC |
| logP (o/w) | 5.4 est |
| Solubility | |
| alcohol | Yes |
| water, 0.1336 mg/L @ 25 °C (est) | Yes |
| water | No |
Organoleptic Properties
| Odor Type: Berry | |
| raspberry, berry | |
| General comment | At 100.00 %. raspberry |
Potential Uses
| Applications | |
| Odor purposes | Raspberry |
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 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 |