| 2D: |  |
|---|---|
| 3D: | |
| CAS Number: | 19887-90-2 |
| FDA UNII: | Search |
| Category: | natural substances and extractives |
| IUPAC Name: | petasitin |
| InChI : | InChI=1/C20H28O4/c1-7-12(2)18(22)24-17-9-8-14-10-16(21)15(19(4,5)23)11-20(14,6)13(17)3/h7,10-11,13,17,23H,8-9H2,1-6H3/b12-7+ |
| Std.InChI: | InChI=1S/C20H28O4/c1-7-12(2)18(22)24-17-9-8-14-10-16(21)15(19(4,5)23)11-20(14,6)13(17)3/h7,10-11,13,17,23H,8-9H2,1-6H3/b12-7+ |
| InChIKey : | ITHGBLBTVGSKLJ-KPKJPENVBA |
| Std.InChIKey: | ITHGBLBTVGSKLJ-KPKJPENVSA-N |
| SMILES : | C/C=C(\C)/C(=O)OC1CCC2=CC(=O)C(=CC2(C1C)C)C(C)(C)O |
| Molar Refractivity : | 93.08 ± 0.4 cm3 (est) |
| Parachor : | 759.9 ± 6.0 cm3 (est) |
| Index of Refraction : | 1.535 ± 0.03 (est) |
| Surface Tension : | 41.7 ± 5.0 dyne/cm (est) |
| Density : | 1.11 ± 0.1 g/cm3 (est) |
| Polarizability : | 36.90 ± 0.5 10-24cm3 (est) |
| Assay: | 95.00 to 100.00 |
| Food Chemicals Codex Listed: | No |
| Soluble in: | |
| water, 8.323 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 petasitin usage levels up to: | |||
| not for fragrance use. | |||
| Recommendation for petasitin 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 :12314130 |
| National Institute of Allergy and Infectious Diseases:Data |
| [7-(2-hydroxypropan-2-yl)-1,8a-dimethyl-6-oxo-1,2,3,4-tetrahydronaphthalen-2-yl] (E)-2-methylbut-2-enoate |
| [7-(2-hydroxypropan-2-yl)-1,8a-dimethyl-6-oxo-1,2,3,4-tetrahydronaphthalen-2-yl] (E)-2-methylbut-2-enoate | |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 12314130 |
| Pubchem (cas): | 19887-90-2 |
| (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): | HMDB35637 |
| FooDB: | FDB014345 |
| VCF-Online: | VCF Volatile Compounds in Food |
| None Found |
| None Found |
| [7-(2- | hydroxypropan-2-yl)-1,8a-dimethyl-6-oxo-1,2,3,4-tetrahydronaphthalen-2-yl] (E)-2-methylbut-2-enoate |
| None found yet. Try the PubMed Search. |
