2-(2,4-Di-tert-pentylphenoxy)-3'-hydroxy-4'-[(5H-perfluorovaleryl)amino]hexananilide (CHEM057599)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-03-31 20:02:28 UTC | ||||||||
| Update Date | 2026-05-20 20:33:42 UTC | ||||||||
| Accession Number | CHEM057599 | ||||||||
| Identification | |||||||||
| Common Name | 2-(2,4-Di-tert-pentylphenoxy)-3'-hydroxy-4'-[(5H-perfluorovaleryl)amino]hexananilide | ||||||||
| Class | Small Molecule | ||||||||
| Description | 2-(2,4-Di-tert-pentylphenoxy)-3'-hydroxy-4'-[(5H-perfluorovaleryl)amino]hexananilide belongs to the anilides, a subclass of benzene and substituted derivatives within the organic compounds. With an average molecular weight of 682.70 g/mol, 2-(2,4-Di-tert-pentylphenoxy)-3'-hydroxy-4'-[(5H-perfluorovaleryl)amino]hexananilide is a heavy molecule. It has the chemical formula C33H42F8N2O4. This compound is associated with thirteen recorded sources across various sectors. In the electrical and electronic equipment sector, it is found in or released from capacitors, batteries, cell phones, printed circuit boards, wires and cables, and one additional source. Within the textiles, leather and furnishings sector, it is present in carpets, rugs, and synthetic textiles. It is also identified in food packaging from the food, food processing and cookware sector, and in medical devices from the healthcare, pharmaceuticals and veterinary products sector. Additionally, the compound is found in lubricants used in energy, oil and gas, as well as industrial manufacturing and chemical processing. One further sector is also recorded as a source. Recorded exposure routes for this substance include oral, inhalation, and touch. | ||||||||
| Contaminant Sources | Not Available | ||||||||
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| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C33H42F8N2O4 | ||||||||
| Average Molecular Mass | 682.696 g/mol | ||||||||
| Monoisotopic Mass | 682.302 g/mol | ||||||||
| CAS Registry Number | Not Available | ||||||||
| IUPAC Name | (2S)-2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-[3-hydroxy-4-(2,2,3,3,4,4,5,5-octafluoropentanoylamino)phenyl]hexanamide | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | CCCCC(OC1=C(C=C(C=C1)C(C)(C)CC)C(C)(C)CC)C(=O)NC1=CC=C(NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)F)C(O)=C1 | ||||||||
| InChI Identifier | InChI=1S/C33H42F8N2O4/c1-8-11-12-25(47-24-16-13-19(29(4,5)9-2)17-21(24)30(6,7)10-3)26(45)42-20-14-15-22(23(44)18-20)43-28(46)32(38,39)33(40,41)31(36,37)27(34)35/h13-18,25,27,44H,8-12H2,1-7H3,(H,42,45)(H,43,46)/t25-/m0/s1 | ||||||||
| InChI Key | YQTBVQGDWOBHRU-VWLOTQADSA-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 | ||||||||
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| Identifiers | Not Available | ||||||||
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| Synthesis Reference | Not Available | ||||||||
| MSDS | Not Available | ||||||||
| General References | Not Available | ||||||||
