| 2D: |  |
|---|---|
| 3D: | |
| CAS Number: | 94043-07-9 |
| ECHA EC Number: | 301-776-6 |
| FDA UNII: | Search |
| Category: | information only not used for fragrances or flavors |
| IUPAC Name: | sorbitan tri-10-undecenoate |
| InChI : | InChI=1/C39H66O8/c1-4-7-10-13-16-19-22-25-28-35(41)45-33(31-40)38-39(47-37(43)30-27-24-21-18-15-12-9-6-3)34(32-44-38)46-36(42)29-26-23-20-17-14-11-8-5-2/h4-6,33-34,38-40H,1-3,7-32H2/t33-,34+,38-,39-/m1/s1 |
| Std.InChI: | InChI=1S/C39H66O8/c1-4-7-10-13-16-19-22-25-28-35(41)45-33(31-40)38-39(47-37(43)30-27-24-21-18-15-12-9-6-3)34(32-44-38)46-36(42)29-26-23-20-17-14-11-8-5-2/h4-6,33-34,38-40H,1-3,7-32H2/t33-,34+,38-,39-/m1/s1 |
| InChIKey : | WQLFZTYACWPFGS-UDKDVIIMBZ |
| Std.InChIKey: | WQLFZTYACWPFGS-UDKDVIIMSA-N |
| SMILES : | C=CCCCCCCCCC(=O)O[C@H]1CO[C@@H]([C@@H]1OC(=O)CCCCCCCCC=C)[C@@H](CO)OC(=O)CCCCCCCCC=C |
| Molar Refractivity : | 188.66 ± 0.4 cm3 (est) |
| Parachor : | 1636.2 ± 6.0 cm3 (est) |
| Index of Refraction : | 1.496 ± 0.03 (est) |
| Surface Tension : | 41.4 ± 5.0 dyne/cm (est) |
| Density : | 1.02 ± 0.1 g/cm3 (est) |
| Polarizability : | 74.79 ± 0.5 10-24cm3 (est) |
| Assay: | 95.00 to 100.00 |
| Food Chemicals Codex Listed: | No |
| Soluble in: | |
| water, 2.328e-008 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: | |||
| information only not used for fragrances or flavors | |||
| Recommendation for sorbitan tri-10-undecenoate usage levels up to: | |||
| not for fragrance use. | |||
| Recommendation for sorbitan tri-10-undecenoate 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 :44153331 |
| National Institute of Allergy and Infectious Diseases:Data |
| [(3S,4R,5R)-5-[(1R)-2-hydroxy-1-undec-10-enoyloxyethyl]-4-undec-10-enoyloxyoxolan-3-yl] undec-10-enoate |
| Chemidplus:0094043079 |
| [(3S,4R,5R)-5-[(1R)-2-hydroxy-1-undec-10-enoyloxyethyl]-4-undec-10-enoyloxyoxolan-3-yl] undec-10-enoate | |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 44153331 |
| Pubchem (sid): | 135203363 |
| (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 |
| None Found |
| None Found |
| not found in nature |
| [(3S,4R,5R)-5-[(1R)-2- | hydroxy-1-undec-10-enoyloxyethyl]-4-undec-10-enoyloxyoxolan-3-yl] undec-10-enoate |
| sorbitan, tri-10-undecenoate |
| None found yet. Try the PubMed Search. |
