| 2D: |  |
|---|---|
| 3D: | |
| CAS Number: | 470666-82-1 |
| FDA UNII: | LZ2HR826BL |
| Category: | fragrance agents |
| IUPAC Name: | (1R,2R)-pine hexanol |
| InChI : | InChI=1/C10H20O/c1-10(2,3)8-6-4-5-7-9(8)11/h8-9,11H,4-7H2,1-3H3/t8-,9+/m0/s1 |
| Std.InChI: | InChI=1S/C10H20O/c1-10(2,3)8-6-4-5-7-9(8)11/h8-9,11H,4-7H2,1-3H3/t8-,9+/m0/s1 |
| InChIKey : | DLTWBMHADAJAAZ-DTWKUNHWBI |
| Std.InChIKey: | DLTWBMHADAJAAZ-DTWKUNHWSA-N |
| SMILES : | CC(C)(C)[C@H]1CCCC[C@H]1O |
| Molar Refractivity : | 47.45 ± 0.3 cm3 (est) |
| Parachor : | 410.1 ± 6.0 cm3 (est) |
| Index of Refraction : | 1.471 ± 0.02 (est) |
| Surface Tension : | 34.1 ± 3.0 dyne/cm (est) |
| Density : | 0.920 ± 0.06 g/cm3 (est) |
| Polarizability : | 18.81 ± 0.5 10-24cm3 (est) |
| Appearance: | white crystalline solid (est) |
| Assay: | 95.00 to 100.00 |
| Food Chemicals Codex Listed: | No |
| Boiling Point: | 206.93 °C. @ 760.00 mm Hg (est) |
| Vapor Pressure: | 0.054000 mmHg @ 25.00 °C. (est) |
| Flash Point: | 175.00 °F. TCC ( 79.40 °C. ) (est) |
| logP (o/w): | 3.092 (est) |
| Soluble in: | |
| alcohol | |
| water, 278 mg/L @ 25 °C (est) | |
| Insoluble in: | |
| water | |
| None found |
| None found |
| 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 | |
| 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 (1R,2R)-pine hexanol flavor usage levels up to: | |||
| not for flavor use. | |||
| EPI System: View |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :6995536 |
| National Institute of Allergy and Infectious Diseases:Data |
| (1R,2R)-2-tert-butylcyclohexan-1-ol |
| Chemidplus:0470666821 |
| Leffingwell: | Chirality or Article |
| (1R,2R)-2-tert-butylcyclohexan-1-ol | |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 6995536 |
| Pubchem (sid): | 43597651 |
| (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 |
| None Found |
| None Found |
| not found in nature |
| (1R,2R)-2-tert- | butylcyclohexan-1-ol |
| (1R,2R)-2-tert- | butylcyclohexanol |
| cyclohexanol, 2-(1,1-dimethylethyl)-, (1R,2R)-rel- |
| None found yet. Try the PubMed Search. |
