Propanoic acid, 3,3'-dithiobis-, dioctadecyl ester (CHEM013608)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2016-05-19 04:15:20 UTC | ||||||||
| Update Date | 2026-08-22 14:29:19 UTC | ||||||||
| Accession Number | CHEM013608 | ||||||||
| Identification | |||||||||
| Common Name | Propanoic acid, 3,3'-dithiobis-, dioctadecyl ester | ||||||||
| Class | Small Molecule | ||||||||
| Description | Propanoic acid, 3,3'-dithiobis-, dioctadecyl ester is an organic compound with the formula C42H82O4S2. Propanoic acid, 3,3'-dithiobis-, dioctadecyl ester belongs to the dicarboxylic acids and derivatives, a subclass of carboxylic acids and derivatives within the organic compounds. With an average molecular weight of 715.20 g/mol, Propanoic acid, 3,3'-dithiobis-, dioctadecyl ester is a heavy molecule. In industrial applications, this substance is used as a hardener. | ||||||||
| Contaminant Sources |
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| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C42H82O4S2 | ||||||||
| Average Molecular Mass | 715.200 g/mol | ||||||||
| Monoisotopic Mass | 714.565 g/mol | ||||||||
| CAS Registry Number | 6729-96-0 | ||||||||
| IUPAC Name | octadecyl 3-[(3-octadecoxy-3-oxopropyl)disulfanyl]propanoate | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | CCCCCCCCCCCCCCCCCCOC(=O)CCSSCCC(=O)OCCCCCCCCCCCCCCCCCC | ||||||||
| InChI Identifier | InChI=1S/C42H82O4S2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-37-45-41(43)35-39-47-48-40-36-42(44)46-38-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-40H2,1-2H3 | ||||||||
| InChI Key | XPNWIWHUGHAVLC-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 | ||||||||
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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 | |||||||||
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| Identifiers | Not Available | ||||||||
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| Synthesis Reference | Not Available | ||||||||
| MSDS | Not Available | ||||||||
| General References | Not Available | ||||||||
