5-(Perfluorooctyl)-1,3-bis(bis(trifluoromethyl)hydroxymethyl)benzene (CHEM119249)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-04-06 06:43:46 UTC | ||||||||
| Update Date | 2026-08-30 02:46:25 UTC | ||||||||
| Accession Number | CHEM119249 | ||||||||
| Identification | |||||||||
| Common Name | 5-(Perfluorooctyl)-1,3-bis(bis(trifluoromethyl)hydroxymethyl)benzene | ||||||||
| Class | Small Molecule | ||||||||
| Description | 5-(Perfluorooctyl)-1,3-bis(bis(trifluoromethyl)hydroxymethyl)benzene belongs to the benzene and substituted derivatives, a class of benzenoids within the organic compounds. With an average molecular weight of 828.21 g/mol, 5-(Perfluorooctyl)-1,3-bis(bis(trifluoromethyl)hydroxymethyl)benzene is a heavy molecule. This compound is identified by the chemical formula C20H5F29O2. The substance is found in or released from 13 recorded sources across several diverse sectors. In the electrical and electronic equipment sector, it is associated with capacitors, cell phones, printed circuit boards, wires and cables, batteries, and one additional source. Within the textiles, leather and furnishings sector, it is linked to carpets, rugs, and synthetic textiles. It is also found in food packaging within the food, food processing and cookware sector, and in medical devices within the healthcare, pharmaceuticals and veterinary products sector. Additionally, the compound is used as lubricants in both the energy, oil and gas sector and the industrial manufacturing and chemical processing sector, among one other sector. Recorded routes of exposure for this compound include inhalation, oral, and touch. | ||||||||
| Contaminant Sources | Not Available | ||||||||
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| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C20H5F29O2 | ||||||||
| Average Molecular Mass | 828.212 g/mol | ||||||||
| Monoisotopic Mass | 827.983 g/mol | ||||||||
| CAS Registry Number | 89780-02-9 | ||||||||
| IUPAC Name | 2,2'-[5-(Heptadecafluorooctyl)-1,3-phenylene]bis(hexafluoropropan-2-ol) | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | OC(C1=CC(=CC(=C1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(O)(C(F)(F)F)C(F)(F)F)(C(F)(F)F)C(F)(F)F | ||||||||
| InChI Identifier | InChI=1S/C20H5F29O2/c21-9(22,10(23,24)11(25,26)12(27,28)13(29,30)14(31,32)15(33,34)20(47,48)49)6-2-4(7(50,16(35,36)37)17(38,39)40)1-5(3-6)8(51,18(41,42)43)19(44,45)46/h1-3,50-51H | ||||||||
| InChI Key | DSFNQPNFWJQALF-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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| 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 | ||||||||
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| Identifiers | Not Available | ||||||||
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| Synthesis Reference | Not Available | ||||||||
| MSDS | Not Available | ||||||||
| General References | Not Available | ||||||||
