Sec-butyl 3-methylbenzoate
butan-2-yl 3-methylbenzoate
Also Known As: Sec-butyl 3-methylbenzoate|butan-2-yl 3-methylbenzoate|m-Toluic acid, 2-butyl ester|m-Toluylicacid,2-butylester|m-Toluylic acid, 2-butyl ester|Sec-butyl 3-methylbenzoate #|Benzoic acid,3-methyl-, 1-methylpropyl ester
CAS: 6308-91-4
| Molecular Formula | C12H16O2 |
|---|---|
| Molecular Weight | 192.11504 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 192.11504 |
| Monoisotopic Mass | 192.11504 |
| Heavy Atoms | 14 |
| Complexity | 189.0 |
Chemical Identifiers
| CAS Number | 6308-91-4 |
|---|---|
| SMILES | CCC(C)OC(=O)C1=CC=CC(=C1)C |
| InChIKey | PMXIMCBOCREIJN-UHFFFAOYSA-N |
Product Overview
Sec-butyl 3-methylbenzoate (CAS 6308-91-4), with molecular formula C12H16O2 and molecular weight 192.11504 g/mol. IUPAC: butan-2-yl 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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