Sorbitan, tetradodecanoate (CHEM076648)
| Record Information | |||||||||
|---|---|---|---|---|---|---|---|---|---|
| Version | 1.0 | ||||||||
| Creation Date | 2026-04-04 16:29:12 UTC | ||||||||
| Update Date | 2026-04-17 19:45:50 UTC | ||||||||
| Accession Number | CHEM076648 | ||||||||
| Identification | |||||||||
| Common Name | Sorbitan, tetradodecanoate | ||||||||
| Class | Small Molecule | ||||||||
| Description | Not Available | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C54H100O9 | ||||||||
| Average Molecular Mass | 893.385 g/mol | ||||||||
| Monoisotopic Mass | 892.737 g/mol | ||||||||
| CAS Registry Number | 93963-93-0 | ||||||||
| IUPAC Name | Not Available | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | CCCCCCCCCCCC(=O)OC[C@@H](OC(=O)CCCCCCCCCCC)[C@H]1OC[C@H](OC(=O)CCCCCCCCCCC)[C@H]1OC(=O)CCCCCCCCCCC | ||||||||
| InChI Identifier | InChI=1S/C54H100O9/c1-5-9-13-17-21-25-29-33-37-41-49(55)59-45-47(61-50(56)42-38-34-30-26-22-18-14-10-6-2)53-54(63-52(58)44-40-36-32-28-24-20-16-12-8-4)48(46-60-53)62-51(57)43-39-35-31-27-23-19-15-11-7-3/h47-48,53-54H,5-46H2,1-4H3/t47-,48+,53-,54-/m1/s1 | ||||||||
| InChI Key | YWSDIOKOZYVZFR-OHTOXZDKSA-N | ||||||||
| Chemical Taxonomy | |||||||||
| Classification | Not classified | ||||||||
| Biological Properties | |||||||||
| Status | Detected and Not Quantified | ||||||||
| Origin | Not Available | ||||||||
| Cellular Locations | Not Available | ||||||||
| Biofluid Locations | Not Available | ||||||||
| Tissue Locations | Not Available | ||||||||
| Pathways | Not Available | ||||||||
| Applications | Not Available | ||||||||
| Biological Roles | Not Available | ||||||||
| Chemical Roles | Not Available | ||||||||
| Physical Properties | |||||||||
| State | Not Available | ||||||||
| Appearance | Not Available | ||||||||
| Experimental Properties |
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| Predicted Properties | Not Available | ||||||||
| Spectra | |||||||||
| Spectra |
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| Toxicity Profile | |||||||||
| Route of Exposure | Not Available | ||||||||
| Mechanism of Toxicity | Not Available | ||||||||
| Metabolism | Not Available | ||||||||
| Toxicity Values | Not Available | ||||||||
| Lethal Dose | Not Available | ||||||||
| Carcinogenicity (IARC Classification) | Not Available | ||||||||
| Uses/Sources | Not Available | ||||||||
| Minimum Risk Level | Not Available | ||||||||
| Health Effects | Not Available | ||||||||
| Symptoms | Not Available | ||||||||
| Treatment | Not Available | ||||||||
| Concentrations | |||||||||
| Not Available | |||||||||
| External Links | |||||||||
| Identifiers | Not Available | ||||||||
| References | |||||||||
| Synthesis Reference | Not Available | ||||||||
| MSDS | Not Available | ||||||||
| General References | Not Available | ||||||||
