Fumaric acid, alpha-butylbenzyl ester
(Z)-4-oxo-4-(1-phenylpentoxy)but-2-enoic acid
Also Known As: alpha-Butylbenzyl ester of fumaric acid|AF 480|FUMARIC ACID, alpha-BUTYLBENZYL ESTER|(Z)-4-oxo-4-(1-phenylpentoxy)but-2-enoic acid
CAS: 97405-37-3
| Molecular Formula | C15H18O4 |
|---|---|
| Molecular Weight | 262.1205 g/mol |
| LogP | 3.1019 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 262.1205 |
| Monoisotopic Mass | 262.1205 |
| Heavy Atoms | 19 |
| Complexity | 436.71863 |
Chemical Identifiers
| CAS Number | 97405-37-3 |
|---|---|
| SMILES | CCCCC(C1=CC=CC=C1)OC(=O)/C=C\C(=O)O |
Product Overview
Fumaric acid, alpha-butylbenzyl ester (CAS 97405-37-3), with molecular formula C15H18O4 and molecular weight 262.1205 g/mol. IUPAC: (Z)-4-oxo-4-(1-phenylpentoxy)but-2-enoic acid.
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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