| 2D: |  |
|---|---|
| 3D: | |
| CAS Number: | 134476-92-9 |
| FDA UNII: | Search |
| Category: | natural substances and extractives |
| IUPAC Name: | piperenol A triacetate |
| InChI : | InChI=1/C27H26O10/c1-16(28)34-22-14-21(15-33-26(31)19-10-6-4-7-11-19)23(35-17(2)29)25(24(22)36-18(3)30)37-27(32)20-12-8-5-9-13-20/h4-14,22-25H,15H2,1-3H3 |
| Std.InChI: | InChI=1S/C27H26O10/c1-16(28)34-22-14-21(15-33-26(31)19-10-6-4-7-11-19)23(35-17(2)29)25(24(22)36-18(3)30)37-27(32)20-12-8-5-9-13-20/h4-14,22-25H,15H2,1-3H3 |
| InChIKey : | UGMVPWAZGUPKPL-UHFFFAOYAD |
| Std.InChIKey: | UGMVPWAZGUPKPL-UHFFFAOYSA-N |
| SMILES : | CC(=O)OC1C=C(C(C(C1OC(=O)C)OC(=O)C2=CC=CC=C2)OC(=O)C)COC(=O)C3=CC=CC=C3 |
| Molar Refractivity : | 127.76 ± 0.4 cm3 (est) |
| Parachor : | 1052.3 ± 6.0 cm3 (est) |
| Index of Refraction : | 1.577 ± 0.03 (est) |
| Surface Tension : | 55.5 ± 5.0 dyne/cm (est) |
| Density : | 1.32 ± 0.1 g/cm3 (est) |
| Polarizability : | 50.64 ± 0.5 10-24cm3 (est) |
| Assay: | 95.00 to 100.00 |
| Food Chemicals Codex Listed: | No |
| Soluble in: | |
| water, 0.3305 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 piperenol A triacetate usage levels up to: | |||
| not for fragrance use. | |||
| Recommendation for piperenol A triacetate 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 :14890279 |
| National Institute of Allergy and Infectious Diseases:Data |
| triacetyloxy-5-benzoyloxycyclohexen-1-yl)methyl benzoate |
| triacetyloxy-5-benzoyloxycyclohexen-1-yl)methyl benzoate | |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 14890279 |
| Pubchem (cas): | 134476-92-9 |
| (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): | HMDB41535 |
| FooDB: | FDB021515 |
| VCF-Online: | VCF Volatile Compounds in Food |
| None Found |
| None Found |
| (3,4,6- | triacetyloxy-5-benzoyloxycyclohexen-1-yl)methyl benzoate |
| None found yet. Try the PubMed Search. |
