Propanoic acid, 3-(dodecylthio)-, oxybis(2,1-ethanediyloxy-2,1-ethanediyl) ester (CHEM013282)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2016-05-19 04:11:04 UTC | ||||||||
| Update Date | 2026-08-31 22:52:26 UTC | ||||||||
| Accession Number | CHEM013282 | ||||||||
| Identification | |||||||||
| Common Name | Propanoic acid, 3-(dodecylthio)-, oxybis(2,1-ethanediyloxy-2,1-ethanediyl) ester | ||||||||
| Class | Small Molecule | ||||||||
| Description | Propanoic acid, 3-(dodecylthio)-, oxybis(2,1-ethanediyloxy-2,1-ethanediyl) ester belongs to the dicarboxylic acids and derivatives, a subclass of carboxylic acids and derivatives within the organic compounds. This compound has the chemical formula C38H74O7S2. With an average molecular weight of 707.10 g/mol, Propanoic acid, 3-(dodecylthio)-, oxybis(2,1-ethanediyloxy-2,1-ethanediyl) ester is a heavy molecule. In industrial applications, it is used as an antioxidant. | ||||||||
| Contaminant Sources |
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| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C38H74O7S2 | ||||||||
| Average Molecular Mass | Not Available | ||||||||
| Monoisotopic Mass | 706.488 g/mol | ||||||||
| CAS Registry Number | 64253-30-1 | ||||||||
| IUPAC Name | 2-[2-[2-[2-(3-dodecylsulfanylpropanoyloxy)ethoxy]ethoxy]ethoxy]ethyl 3-dodecylsulfanylpropanoate | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | CCCCCCCCCCCCSCCC(=O)OCCOCCOCCOCCOC(=O)CCSCCCCCCCCCCCC | ||||||||
| InChI Identifier | InChI=1S/C38H74O7S2/c1-3-5-7-9-11-13-15-17-19-21-33-46-35-23-37(39)44-31-29-42-27-25-41-26-28-43-30-32-45-38(40)24-36-47-34-22-20-18-16-14-12-10-8-6-4-2/h3-36H2,1-2H3 | ||||||||
| InChI Key | NMWLFOFCBZILSO-UHFFFAOYSA-N | ||||||||
| Chemical Taxonomy | |||||||||
| Description | belongs to the class of organic compounds known as dicarboxylic acids and derivatives. These are organic compounds containing exactly two carboxylic acid groups. | ||||||||
| Kingdom | Organic compounds | ||||||||
| Super Class | Organic acids and derivatives | ||||||||
| Class | Carboxylic acids and derivatives | ||||||||
| Sub Class | Dicarboxylic acids and derivatives | ||||||||
| Direct Parent | Dicarboxylic acids and derivatives | ||||||||
| Alternative Parents | |||||||||
| Substituents |
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| Molecular Framework | Aliphatic acyclic compounds | ||||||||
| External Descriptors | Not Available | ||||||||
| 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 | Not Available | ||||||||
| 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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| External Links | |||||||||
| DrugBank ID | Not Available | ||||||||
| HMDB ID | Not Available | ||||||||
| FooDB ID | Not Available | ||||||||
| Phenol Explorer ID | Not Available | ||||||||
| KNApSAcK ID | Not Available | ||||||||
| BiGG ID | Not Available | ||||||||
| BioCyc ID | Not Available | ||||||||
| METLIN ID | Not Available | ||||||||
| PDB ID | Not Available | ||||||||
| Wikipedia Link | Not Available | ||||||||
| Chemspider ID | Not Available | ||||||||
| ChEBI ID | Not Available | ||||||||
| PubChem Compound ID | 93351 | ||||||||
| Kegg Compound ID | Not Available | ||||||||
| YMDB ID | Not Available | ||||||||
| ECMDB ID | Not Available | ||||||||
| References | |||||||||
| Synthesis Reference | Not Available | ||||||||
| MSDS | Not Available | ||||||||
| General References | Not Available | ||||||||
