| 2D: |  |
|---|---|
| 3D: | |
| CAS Number: | 75678-90-9 |
| FDA UNII: | Search |
| Category: | natural substances and extractives |
| IUPAC Name: | 14-hydroxy-alpha-humulene |
| InChI : | InChI=1/C15H24O/c1-13-6-4-7-14(2)9-11-15(3,12-16)10-5-8-13/h5-6,9-10,16H,4,7-8,11-12H2,1-3H3/b10-5+,13-6+,14-9+ |
| Std.InChI: | InChI=1S/C15H24O/c1-13-6-4-7-14(2)9-11-15(3,12-16)10-5-8-13/h5-6,9-10,16H,4,7-8,11-12H2,1-3H3/b10-5+,13-6+,14-9+ |
| InChIKey : | YLOBZQJVNNUEPZ-NYAJVKMDBN |
| Std.InChIKey: | YLOBZQJVNNUEPZ-NYAJVKMDSA-N |
| SMILES : | C/C/1=C\CC(/C=C/C/C(=C/CC1)/C)(C)CO |
| Molar Refractivity : | 69.79 ± 0.3 cm3 (est) |
| Parachor : | 569.9 ± 6.0 cm3 (est) |
| Index of Refraction : | 1.474 ± 0.02 (est) |
| Surface Tension : | 27.9 ± 3.0 dyne/cm (est) |
| Density : | 0.888 ± 0.06 g/cm3 (est) |
| Polarizability : | 27.66 ± 0.5 10-24cm3 (est) |
| Assay: | 95.00 to 100.00 |
| Food Chemicals Codex Listed: | No |
| Soluble in: | |
| water, 2.286 mg/L @ 25 °C (est) | |
| 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: | |||
| natural substances and extractives | |||
| Recommendation for 14-hydroxy-alpha-humulene usage levels up to: | |||
| not for fragrance use. | |||
| Recommendation for 14-hydroxy-alpha-humulene 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 :5352485 |
| National Institute of Allergy and Infectious Diseases:Data |
| [(2E,5E,9E)-1,5,9-trimethylcycloundeca-2,5,9-trien-1-yl]methanol |
| [(2E,5E,9E)-1,5,9-trimethylcycloundeca-2,5,9-trien-1-yl]methanol | |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 5352485 |
| Pubchem (cas): | 75678-90-9 |
| Pherobase: | View |
| (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 |
| Typical G.C. | |
| VCF-Online: | VCF Volatile Compounds in Food |
| None Found |
| None Found |
| 14- | hydroxy-a-humulene |
| [(2E,5E,9E)-1,5,9- | trimethylcycloundeca-2,5,9-trien-1-yl]methanol |
