2-Methylallyl benzoate
2-methylprop-2-enyl benzoate
Also Known As: 2-methylallyl benzoate|2-Methylallylbenzoate|2-methylprop-2-en-1-yl benzoate|2-methylprop-2-enyl benzoate|Benzoic acid 2-methylallyl ester|Benzoic acid 2-methyl-2-propenyl ester|7-(2-Chloro-3-pyridyl)-7-oxoheptanenitrile|J1.166.063K
CAS: 890100-80-8
| Molecular Formula | C11H12O2 |
|---|---|
| Molecular Weight | 176.08372 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 176.08372 |
| Monoisotopic Mass | 176.08372 |
| Heavy Atoms | 13 |
| Complexity | 190.0 |
Chemical Identifiers
| CAS Number | 890100-80-8 |
|---|---|
| SMILES | CC(=C)COC(=O)C1=CC=CC=C1 |
| InChIKey | LQLOHAJUXSDIGF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Heterocyclic Building Blocks (1 patents)
Organic Building Blocks (9 patents)
Plastic Additives (4 patents)
Polymer Intermediates (43 patents)
Product Overview
2-Methylallyl benzoate (CAS 890100-80-8), with molecular formula C11H12O2 and molecular weight 176.08372 g/mol. IUPAC: 2-methylprop-2-enyl benzoate.
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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