2-Thiophenecarboxylic acid, 4-(2,2-dimethylpropyl)phenyl ester
[4-(2,2-dimethylpropyl)phenyl] thiophene-2-carboxylate
Also Known As: alpha-Thenoate tert-amylphenol|alpha-Thenoate tert-amylphenol [French]|2-Thiophenecarboxylic acid, 4-(2,2-dimethylpropyl)phenyl ester|4-(2,2-Dimethylpropyl)phenyl 2-thiophenecarboxylate|4-(2,2-dimethylpropyl)phenyl thiophene-2-carboxylate|[4-(2,2-dimethylpropyl)phenyl] thiophene-2-carboxylate|2-Thiophenecarboxylic acid,4-(2,2-dimethylpropyl)phenyl ester
CAS: 40790-75-8
| Molecular Formula | C16H18O2S |
|---|---|
| Molecular Weight | 274.10275 g/mol |
| LogP | 5.3 |
| Topological Polar Surface Area | 54.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 274.10275 |
| Monoisotopic Mass | 274.10275 |
| Heavy Atoms | 19 |
| Complexity | 300.0 |
Chemical Identifiers
| CAS Number | 40790-75-8 |
|---|---|
| SMILES | CC(C)(C)CC1=CC=C(C=C1)OC(=O)C2=CC=CS2 |
| InChIKey | UXMAVLSBKNCNBU-UHFFFAOYSA-N |
Product Overview
2-Thiophenecarboxylic acid, 4-(2,2-dimethylpropyl)phenyl ester (CAS 40790-75-8), with molecular formula C16H18O2S and molecular weight 274.10275 g/mol. IUPAC: [4-(2,2-dimethylpropyl)phenyl] thiophene-2-carboxylate.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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