1,2-Benzenedicarboxylic acid, 2-ethyl-5-methoxy-5-oxopentyl methyl ester
2-O-(2-ethyl-5-methoxy-5-oxopentyl) 1-O-methyl benzene-1,2-dicarboxylate
Also Known As: 1,2-Benzenedicarboxylic acid, 2-ethyl-5-methoxy-5-oxopentyl methyl ester|2-ethyl-5-methoxy-5-oxopentyl methyl benzene-1,2-dicarboxylate|2-O-(2-ethyl-5-methoxy-5-oxopentyl) 1-O-methyl benzene-1,2-dicarboxylate|(2-ethyl-4-methoxycarbonyl-butyl) Methyl Benzene-1,2-dicarboxylate|1,2-Benzenedicarboxylicacid, 1-(2-ethyl-5-methoxy-5-oxopentyl) 2-methyl ester
CAS: 76644-64-9
| Molecular Formula | C17H22O6 |
|---|---|
| Molecular Weight | 322.14163 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 78.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 11 |
| Exact Mass | 322.14163 |
| Monoisotopic Mass | 322.14163 |
| Heavy Atoms | 23 |
| Complexity | 406.0 |
Chemical Identifiers
| CAS Number | 76644-64-9 |
|---|---|
| SMILES | CCC(CCC(=O)OC)COC(=O)C1=CC=CC=C1C(=O)OC |
| InChIKey | MZELRJGMBAWTEW-UHFFFAOYSA-N |
Product Overview
1,2-Benzenedicarboxylic acid, 2-ethyl-5-methoxy-5-oxopentyl methyl ester (CAS 76644-64-9), with molecular formula C17H22O6 and molecular weight 322.14163 g/mol. IUPAC: 2-O-(2-ethyl-5-methoxy-5-oxopentyl) 1-O-methyl benzene-1,2-dicarboxylate.
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.
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