Oxybis(2,2-bis(((1-oxoisodecyl)oxy)methyl)-3,1-propanediyl) diisodecanoate (CHEM062925)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-04-03 08:18:28 UTC | ||||||||
| Update Date | 2026-04-03 08:18:28 UTC | ||||||||
| Accession Number | CHEM062925 | ||||||||
| Identification | |||||||||
| Common Name | Oxybis(2,2-bis(((1-oxoisodecyl)oxy)methyl)-3,1-propanediyl) diisodecanoate | ||||||||
| Class | Small Molecule | ||||||||
| Description | Oxybis(2,2-bis(((1-oxoisodecyl)oxy)methyl)-3,1-propanediyl) diisodecanoate belongs to the hexacarboxylic acids and derivatives, a subclass of carboxylic acids and derivatives within the organic compounds. It has the formula C70H130O13. With an average molecular weight of 1,180 g/mol, Oxybis(2,2-bis(((1-oxoisodecyl)oxy)methyl)-3,1-propanediyl) diisodecanoate is a heavy molecule. | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C70H130O13 | ||||||||
| Average Molecular Mass | 1179.797 g/mol | ||||||||
| Monoisotopic Mass | 1178.951 g/mol | ||||||||
| CAS Registry Number | 84788-20-5 | ||||||||
| IUPAC Name | [3-(8-methylnonanoyloxy)-2-[[3-(8-methylnonanoyloxy)-2,2-bis(8-methylnonanoyloxymethyl)propoxy]methyl]-2-(8-methylnonanoyloxymethyl)propyl] 8-methylnonanoate | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | CC(C)CCCCCCC(=O)OCC(COCC(COC(=O)CCCCCCC(C)C)(COC(=O)CCCCCCC(C)C)COC(=O)CCCCCCC(C)C)(COC(=O)CCCCCCC(C)C)COC(=O)CCCCCCC(C)C | ||||||||
| InChI Identifier | InChI=1S/C70H130O13/c1-57(2)37-25-13-19-31-43-63(71)78-51-69(52-79-64(72)44-32-20-14-26-38-58(3)4,53-80-65(73)45-33-21-15-27-39-59(5)6)49-77-50-70(54-81-66(74)46-34-22-16-28-40-60(7)8,55-82-67(75)47-35-23-17-29-41-61(9)10)56-83-68(76)48-36-24-18-30-42-62(11)12/h57-62H,13-56H2,1-12H3 | ||||||||
| InChI Key | QBXIVNSTBYSVBQ-UHFFFAOYSA-N | ||||||||
| Chemical Taxonomy | |||||||||
| Description | belongs to the class of organic compounds known as hexacarboxylic acids and derivatives. These are carboxylic acids containing exactly six carboxyl groups. | ||||||||
| Kingdom | Organic compounds | ||||||||
| Super Class | Organic acids and derivatives | ||||||||
| Class | Carboxylic acids and derivatives | ||||||||
| Sub Class | Hexacarboxylic acids and derivatives | ||||||||
| Direct Parent | Hexacarboxylic 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 | 44146718 | ||||||||
| 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 | ||||||||
