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3-buten-2-ol, 3-methyl-4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-
Notes:
None found
| CAS Number: | 51595-91-6 |  3D/inchi
|
| ECHA EINECS - REACH Pre-Reg: | 257-310-6 | |
| FDA UNII: | Search | |
| XlogP3-AA: | 3.60 (est) | |
| Molecular Weight: | 208.34448000 | |
| Formula: | C14 H24 O | |
| 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 clear liquid (est) |
| Assay: | 95.00 to 100.00 % sum of isomers |
| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 0.91000 to 0.93000 @ 25.00 °C. |
| Pounds per Gallon - (est).: | 7.572 to 7.739 |
| Refractive Index: | 1.49000 to 1.51000 @ 20.00 °C. |
| Boiling Point: | 225.00 °C. @ 3.00 mm Hg |
| Vapor Pressure: | 0.000125 mmHg @ 25.00 °C. (est) |
| Flash Point: | 210.00 °F. TCC ( 98.89 °C. ) |
| logP (o/w): | 4.478 (est) |
| Soluble in: | |
| alcohol | |
| water, 4.706 mg/L @ 25 °C (est) | |
Organoleptic Properties:
| Odor Type: woody | |
| woody vetiver | |
| Odor Description: at 100.00 %. | woody vetiver acetate |
| Odor and/or flavor descriptions from others (if found). | |
| Bedoukian Research | |
| alpha-ISOMETHYL IONOL | |
| Odor Description: | A woody vetivert-type odor. Used in violet compositions. |
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 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 |
References:
| 3-methyl-4-(2,6,6-trimethyl-1-cyclohexenyl)but-3-en-2-ol | |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 103499 |
| Pubchem (sid): | 135060831 |
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:
| moss | FR | |
| oriental | FR | |
| vetiver | FR | |
| violet | FR | |
| woody | FR |
Occurrence (nature, food, other): note
| not found in nature |
Synonyms:
| 3- | buten-2-ol, 3-methyl-4-(2,6,6-trimethyl-1-cyclohexen-1-yl)- |
| 3- | methyl-4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-3-buten-2-ol |
| 3- | methyl-4-(2,6,6-trimethyl-1-cyclohexenyl)but-3-en-2-ol |
| 3- | methyl-4-(2,6,6-trimethylcyclohex-1-en-1-yl)but-3-en-2-ol |