| 2D: |  |
|---|---|
| 3D: | |
| CAS Number: | 161730-09-2 |
| FDA UNII: | Search |
| Category: | natural substances and extractives |
| IUPAC Name: | heliannuol D |
| InChI : | InChI=1/C15H22O3/c1-9-5-6-14(15(3,4)17)18-13-7-10(2)12(16)8-11(9)13/h7-9,14,16-17H,5-6H2,1-4H3/t9-,14-/m0/s1 |
| Std.InChI: | InChI=1S/C15H22O3/c1-9-5-6-14(15(3,4)17)18-13-7-10(2)12(16)8-11(9)13/h7-9,14,16-17H,5-6H2,1-4H3/t9-,14-/m0/s1 |
| InChIKey : | BIIJJHXLFCDTIZ-XPTSAGLGBS |
| Std.InChIKey: | BIIJJHXLFCDTIZ-XPTSAGLGSA-N |
| SMILES : | C[C@H]1CC[C@H](OC2=CC(=C(C=C12)O)C)C(C)(C)O |
| Molar Refractivity : | 71.15 ± 0.3 cm3 (est) |
| Parachor : | 575.9 ± 6.0 cm3 (est) |
| Index of Refraction : | 1.539 ± 0.02 (est) |
| Surface Tension : | 41.4 ± 3.0 dyne/cm (est) |
| Density : | 1.102 ± 0.06 g/cm3 (est) |
| Polarizability : | 28.20 ± 0.5 10-24cm3 (est) |
| Assay: | 95.00 to 100.00 |
| Food Chemicals Codex Listed: | No |
| Soluble in: | |
| water, 164.9 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 heliannuol D usage levels up to: | |||
| not for fragrance use. | |||
| Recommendation for heliannuol D 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 :9992305 |
| National Institute of Allergy and Infectious Diseases:Data |
| (2S,5S)-2-(2-hydroxypropan-2-yl)-5,8-dimethyl-2,3,4,5-tetrahydro-1-benzoxepin-7-ol |
| (2S,5S)-2-(2-hydroxypropan-2-yl)-5,8-dimethyl-2,3,4,5-tetrahydro-1-benzoxepin-7-ol | |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 9992305 |
| Pubchem (cas): | 161730-09-2 |
| (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): | HMDB35137 |
| FooDB: | FDB013773 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
| None Found |
| None Found |
| (2S,5S)-2-(2- | hydroxypropan-2-yl)-5,8-dimethyl-2,3,4,5-tetrahydro-1-benzoxepin-7-ol |
