Isopentyl 3-methylbenzoate
3-methylbutyl 3-methylbenzoate
Also Known As: Isopentyl 3-methylbenzoate|3-methylbutyl 3-methylbenzoate|Isopentyl 3-methylbenzoate #|m-Toluic acid, 3-methylbutyl ester|Benzoic acid,3-methyl-, 3-methylbutyl ester
CAS: 76734-08-2
| Molecular Formula | C13H18O2 |
|---|---|
| Molecular Weight | 206.13068 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 206.13068 |
| Monoisotopic Mass | 206.13068 |
| Heavy Atoms | 15 |
| Complexity | 199.0 |
Chemical Identifiers
| CAS Number | 76734-08-2 |
|---|---|
| SMILES | CC1=CC(=CC=C1)C(=O)OCCC(C)C |
| InChIKey | LWJZTQRODMEFPX-UHFFFAOYSA-N |
Product Overview
Isopentyl 3-methylbenzoate (CAS 76734-08-2), with molecular formula C13H18O2 and molecular weight 206.13068 g/mol. IUPAC: 3-methylbutyl 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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