Methyl 2,2,4-trimethyl-3-oxopentanoate
methyl 2,2,4-trimethyl-3-oxopentanoate
Also Known As: methyl 2,2,4-trimethyl-3-oxopentanoate|methyl 2,2,4-trimethyl-3-ketovalerate|2,2,4-trimethyl-3-oxo-pentanoic acid methyl ester|J1.178.867J|Valeric acid, 2,2,4-trimethyl-3-oxo-, methyl ester|2,2,4-Trimethyl-3-oxopentanoic acid methyl ester
CAS: 918-71-8
| Molecular Formula | C9H16O3 |
|---|---|
| Molecular Weight | 172.10994 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 172.10994 |
| Monoisotopic Mass | 172.10994 |
| Heavy Atoms | 12 |
| Complexity | 192.0 |
Chemical Identifiers
| CAS Number | 918-71-8 |
|---|---|
| SMILES | CC(C)C(=O)C(C)(C)C(=O)OC |
| InChIKey | FDKLXJMFRMSQAA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Food Additives (6 patents)
Heterocyclic Building Blocks (15 patents)
Organic Building Blocks (14 patents)
Product Overview
Methyl 2,2,4-trimethyl-3-oxopentanoate (CAS 918-71-8), with molecular formula C9H16O3 and molecular weight 172.10994 g/mol. IUPAC: methyl 2,2,4-trimethyl-3-oxopentanoate.
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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