3-Octylthio-1,1,1-trifluoro-2-propanone (CHEM102644)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-04-05 13:20:13 UTC | ||||||||
| Update Date | 2026-04-14 17:27:37 UTC | ||||||||
| Accession Number | CHEM102644 | ||||||||
| Identification | |||||||||
| Common Name | 3-Octylthio-1,1,1-trifluoro-2-propanone | ||||||||
| Class | Small Molecule | ||||||||
| Description | 3-Octylthio-1,1,1-trifluoro-2-propanone is an organic compound with the formula C11H19F3OS and an average molecular weight of 256.33 g/mol. 3-Octylthio-1,1,1-trifluoro-2-propanone belongs to the carbonyl compounds, a subclass of organooxygen compounds within the organic compounds. This substance has been found in or released from one recorded source: electrical and electronic equipment, specifically television systems. In terms of biological activity, the compound is associated with two recorded protein targets, acting as an inhibitor of liver carboxylesterase 1 (CES1) and putative inactive carboxylesterase 4 (CES1P1). | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C11H19F3OS | ||||||||
| Average Molecular Mass | 256.330 g/mol | ||||||||
| Monoisotopic Mass | 256.111 g/mol | ||||||||
| CAS Registry Number | 89820-00-8 | ||||||||
| IUPAC Name | Not Available | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | CCCCCCCCSCC(=O)C(F)(F)F | ||||||||
| InChI Identifier | InChI=1S/C11H19F3OS/c1-2-3-4-5-6-7-8-16-9-10(15)11(12,13)14/h2-9H2,1H3 | ||||||||
| InChI Key | WMQHRXUKAYSPPK-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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| 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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| Identifiers | Not Available | ||||||||
| References | |||||||||
| Synthesis Reference | Not Available | ||||||||
| MSDS | Not Available | ||||||||
| General References | Not Available | ||||||||
