9-Octadecenoic acid (9Z)-, 2-ethyl-2-(hydroxymethyl)-1,3-propanediyl ester (CHEM056382)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-03-26 20:34:36 UTC | ||||||||
| Update Date | 2026-03-26 20:34:36 UTC | ||||||||
| Accession Number | CHEM056382 | ||||||||
| Identification | |||||||||
| Common Name | 9-Octadecenoic acid (9Z)-, 2-ethyl-2-(hydroxymethyl)-1,3-propanediyl ester | ||||||||
| Class | Small Molecule | ||||||||
| Description | Not Available | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C42H78O5 | ||||||||
| Average Molecular Mass | 663.081 g/mol | ||||||||
| Monoisotopic Mass | 662.585 g/mol | ||||||||
| CAS Registry Number | 25111-05-1 | ||||||||
| IUPAC Name | [2-(hydroxymethyl)-2-(octadec-9-enoyloxymethyl)butyl] octadec-9-enoate | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | CCCCCCCCC=C/CCCCCCCC(=O)OCC(CC)(CO)COC(=O)CCCCCCCC=C/CCCCCCCC | ||||||||
| InChI Identifier | InChI=1S/C42H78O5/c1-4-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-40(44)46-38-42(6-3,37-43)39-47-41(45)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-5-2/h19-22,43H,4-18,23-39H2,1-3H3 | ||||||||
| InChI Key | NKSZWBYBTXAALC-UHFFFAOYSA-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 | ||||||||
