Bis(3,3,4,4,5,5,6,6,6-nonafluorohexyl) butanedioate (CHEM118619)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-04-06 06:02:37 UTC | ||||||||
| Update Date | 2026-08-19 13:57:20 UTC | ||||||||
| Accession Number | CHEM118619 | ||||||||
| Identification | |||||||||
| Common Name | Bis(3,3,4,4,5,5,6,6,6-nonafluorohexyl) butanedioate | ||||||||
| Class | Small Molecule | ||||||||
| Description | Bis(3,3,4,4,5,5,6,6,6-nonafluorohexyl) butanedioate belongs to the fatty acid esters, a subclass of fatty acyls within the organic compounds. With an average molecular weight of 610.24 g/mol, Bis(3,3,4,4,5,5,6,6,6-nonafluorohexyl) butanedioate is a heavy molecule. This compound is identified by the chemical formula C16H12F18O4. The substance is found in or released from 13 recorded sources across multiple sectors. In the electrical and electronic equipment sector, it is associated with cell phones, capacitors, wires and cables, batteries, and printed circuit boards, among one other source. Within textiles, leather and furnishings, it is found in carpets, rugs, and synthetic textiles. Its presence is also noted in food packaging within the food, food processing and cookware sector. Additionally, it is utilized in medical devices for healthcare, pharmaceuticals and veterinary products, and serves as a lubricant in both the energy, oil and gas sector as well as in industrial manufacturing and chemical processing. One further sector is also recorded as a source. Recorded exposure routes for this compound include inhalation, oral ingestion, and touch. | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type |
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| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C16H12F18O4 | ||||||||
| Average Molecular Mass | 610.239 g/mol | ||||||||
| Monoisotopic Mass | 610.045 g/mol | ||||||||
| CAS Registry Number | 508194-70-5 | ||||||||
| IUPAC Name | Bis(3,3,4,4,5,5,6,6,6-nonafluorohexyl) butanedioate | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | FC(F)(F)C(F)(F)C(F)(F)C(F)(F)CCOC(=O)CCC(=O)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F | ||||||||
| InChI Identifier | InChI=1S/C16H12F18O4/c17-9(18,11(21,22)13(25,26)15(29,30)31)3-5-37-7(35)1-2-8(36)38-6-4-10(19,20)12(23,24)14(27,28)16(32,33)34/h1-6H2 | ||||||||
| InChI Key | DVQHEDSMPBFNOO-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 | |||||||||
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| External Links | |||||||||
| Identifiers | Not Available | ||||||||
| References | |||||||||
| Synthesis Reference | Not Available | ||||||||
| MSDS | Not Available | ||||||||
| General References | Not Available | ||||||||
