Octyl-4-chloroacetoacetate
octyl 4-chloro-3-oxobutanoate
Also Known As: Octyl-4-chloroacetoacetate|octyl 4-chloro-3-oxobutanoate|n-Octyl 4-chloroacetoacetate|4-OCA|Butanoic acid, 4-chloro-3-oxo-, octyl ester|N-OCTYL4-CHLOROACETOACETATE|gamma-chloroacetoacetic octyl ester|3-Oxo-4-chlorobutanoic acid octyl ester|4-Chloro-3-oxobutanoic acid octyl ester|J1.083.790A|I14-102472
CAS: 5359-53-5
| Molecular Formula | C12H21ClO3 |
|---|---|
| Molecular Weight | 248.11792 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 11 |
| Exact Mass | 248.11792 |
| Monoisotopic Mass | 248.11792 |
| Heavy Atoms | 16 |
| Complexity | 204.0 |
Chemical Identifiers
| CAS Number | 5359-53-5 |
|---|---|
| SMILES | CCCCCCCCOC(=O)CC(=O)CCl |
| InChIKey | QVBGSRKQOYZMLR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Agrochemicals (2 patents)
Analytical Reagents (10 patents)
Biotechnology (36 patents)
Peptides & Amino Acids (6 patents)
Product Overview
Octyl-4-chloroacetoacetate (CAS 5359-53-5), with molecular formula C12H21ClO3 and molecular weight 248.11792 g/mol. IUPAC: octyl 4-chloro-3-oxobutanoate.
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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