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alpha-isomethyl ionol
General Material Information
| Preferred name | alpha-isomethyl ionol |
| Trivial Name | 3-Methyl-4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-3-buten-2-ol |
| Short Description | 3-buten-2-ol, 3-methyl-4-(2,6,6-trimethyl-1-cyclohexen-1-yl)- |
| Formula | C14 H24 O |
| CAS Number | 51595-91-6 |
| ECHA Number | 257-310-6 |
| FDA UNII | Search |
| xLogP3-AA | 3.60 (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 | 208.34448242188 |
| Specific gravity | @ 25 °C |
| Pounds per Gallon | 7.572 to 7.739 |
| Refractive Index | 1.49 to 1.51 @ 20 °C |
| Vapor Pressure | 0.000125 mmHg @ 25 °C |
| Flash Point TCC Value | 98.89 °C TCC |
| logP (o/w) | 4.478 est |
| Solubility | |
| alcohol | Yes |
| water, 4.706 mg/L @ 25 °C (est) | Yes |
Organoleptic Properties
| Odor Type: Woody | |
| woody, vetiver | |
| General comment | At 100.00 %. woody vetiver acetate |
| Used in violet compositions. | A woody vetivert-type odor. |
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 alpha-isomethyl ionol usage levels up to: | |||
| 2.0000 % in the fragrance concentrate. | |||
| Recommendation for alpha-isomethyl ionol 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):51595-91-6 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :103499 |
| National Institute of Allergy and Infectious Diseases:Data |
| 3-methyl-4-(2,6,6-trimethyl-1-cyclohexenyl)but-3-en-2-ol |
| Chemidplus:0051595916 |