Propyl 3-methylbenzoate
propyl 3-methylbenzoate
Also Known As: propyl 3-methylbenzoate|methyl 4-oxocyclohexane-1-carboxylate
CAS: 6957-89-7
| Molecular Formula | C11H14O2 |
|---|---|
| Molecular Weight | 178.09938 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 178.09938 |
| Monoisotopic Mass | 178.09938 |
| Heavy Atoms | 13 |
| Complexity | 165.0 |
Chemical Identifiers
| CAS Number | 6957-89-7 |
|---|---|
| SMILES | CCCOC(=O)C1=CC=CC(=C1)C |
| InChIKey | JDUCVMVPIZKWJV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Catalysts (8 patents)
Organic Building Blocks (1 patents)
Pharmaceutical Intermediates (2 patents)
Polymer Intermediates (49 patents)
Product Overview
Propyl 3-methylbenzoate (CAS 6957-89-7), with molecular formula C11H14O2 and molecular weight 178.09938 g/mol. IUPAC: propyl 3-methylbenzoate.
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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