HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 166375Generated: October 28, 2026
Propanoic acid, 2-methyl-, 2,2,2-trichloro-1-phenylethyl ester
2,2,2-trichloro-1-phenylethyl isobutyrate · 2-Methylpropanoic acid 2,2,2-trichloro-1-phenylethyl ester
https://huagongshe.com/en/chemical/166375
Identifiers & Physical Properties
| CAS No. | 72929-02-3 |
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| Molecular formula | C12H13Cl3O2 |
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| Average molar mass | 295.6 g/mol |
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| Monoisotopic mass | 293.998113 g/mol |
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| SMILES | CC(C)C(=O)OC(c1ccccc1)C(Cl)(Cl)Cl |
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| InChIKey | WPPIDRMGMMPCMO-UHFFFAOYSA-N |
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| PubChem CID | 166375 |
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| EC No. | 277-100-8 |
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| DTXSID | DTXSID60868209 |
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Chemical & Physical Properties
| XLogP | 4.5 |
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| Topological polar surface area | 26.3 |
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| Hydrogen bond donors | 0 |
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| Hydrogen bond acceptors | 2 |
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| Rotatable bonds | 4 |
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| Heavy atoms | 17 |
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| Formal charge | 0 |
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| Complexity | 255 |
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| EPA Substance Registry System | 2,2,2-Trichloro-1-phenylethyl isobutyrate (72929-02-3) |
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| TSCA inventory status | TSCA listed |
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Safety & Regulations
| Regulatory information | Chemical: Propanoic acid, 2-methyl-, 2,2,2-trichloro-1-phenylethyl ester |
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| Other safety information | Evaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia |
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| TSCA inventory status | TSCA listed |
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