Ethyl 3-hydroxy-3-methyl-4-phenylbutanoate
ethyl 3-hydroxy-3-methyl-4-phenylbutanoate
Also Known As: ethyl 3-hydroxy-3-benzylbutanoate|ethyl 3-hydroxy-3-methyl-4-phenylbutanoate|Benzenebutanoicacid, b-hydroxy-b-methyl-, ethyl ester
CAS: 28074-19-3
| Molecular Formula | C13H18O3 |
|---|---|
| Molecular Weight | 222.1256 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 222.1256 |
| Monoisotopic Mass | 222.1256 |
| Heavy Atoms | 16 |
| Complexity | 221.0 |
Chemical Identifiers
| CAS Number | 28074-19-3 |
|---|---|
| SMILES | CCOC(=O)CC(C)(CC1=CC=CC=C1)O |
| InChIKey | RSVFDVHQNYOBPB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Agrochemicals (1 patents)
Heterocyclic Building Blocks (8 patents)
Organic Building Blocks (3 patents)
Product Overview
Ethyl 3-hydroxy-3-methyl-4-phenylbutanoate (CAS 28074-19-3), with molecular formula C13H18O3 and molecular weight 222.1256 g/mol. IUPAC: ethyl 3-hydroxy-3-methyl-4-phenylbutanoate.
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.
View MSDS →
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