Hexanedioic acid, ester with 1,4-butanediol (CHEM076158)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-04-04 15:34:47 UTC | ||||||||
| Update Date | 2026-04-04 15:34:47 UTC | ||||||||
| Accession Number | CHEM076158 | ||||||||
| Identification | |||||||||
| Common Name | Hexanedioic acid, ester with 1,4-butanediol | ||||||||
| Class | Small Molecule | ||||||||
| Description | Hexanedioic acid, ester with 1,4-butanediol is an organic compound with the formula C10H18O5 and an average molecular weight of 218.25 g/mol. Hexanedioic acid, ester with 1,4-butanediol belongs to the fatty acids and conjugates, a subclass of fatty acyls within the organic compounds. It is further classified under the superclass of lipids and lipid-like molecules. This compound is found in or released from one recorded source: electrical and electronic equipment, specifically discharge lamps. | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C10H18O5 | ||||||||
| Average Molecular Mass | 218.249 g/mol | ||||||||
| Monoisotopic Mass | 218.115 g/mol | ||||||||
| CAS Registry Number | 86923-79-7 | ||||||||
| IUPAC Name | 6-(4-hydroxybutoxy)-6-oxohexanoic acid | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | OCCCCOC(=O)CCCCC(O)=O | ||||||||
| InChI Identifier | InChI=1S/C10H18O5/c11-7-3-4-8-15-10(14)6-2-1-5-9(12)13/h11H,1-8H2,(H,12,13) | ||||||||
| InChI Key | ZSYUYBMMNNGZIB-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 | |||||||||
| Not Available | |||||||||
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| Identifiers | Not Available | ||||||||
| References | |||||||||
| Synthesis Reference | Not Available | ||||||||
| MSDS | Not Available | ||||||||
| General References | Not Available | ||||||||
