Methyl 4-methylhexanoate
methyl 4-methylhexanoate
Also Known As: Methyl 4-methylhexanoate|METHYL4-METHYLHEXANOATE|4-Methylhexanoic acid methyl ester|rac.-4-Methylhexansaeuremethylester|Hexanoic acid,4-methyl-, methyl ester|Hexanoic acid, 4-methyl-, methyl ester
CAS: 2177-82-4
| Molecular Formula | C8H16O2 |
|---|---|
| Molecular Weight | 144.11504 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 144.11504 |
| Monoisotopic Mass | 144.11504 |
| Heavy Atoms | 10 |
| Complexity | 99.0 |
Chemical Identifiers
| CAS Number | 2177-82-4 |
|---|---|
| SMILES | CCC(C)CCC(=O)OC |
| InChIKey | OTOLBWRSIUFKOJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Heterocyclic Building Blocks (1 patents)
Organic Building Blocks (5 patents)
Pharmaceutical Intermediates (4 patents)
Product Overview
Methyl 4-methylhexanoate (CAS 2177-82-4), with molecular formula C8H16O2 and molecular weight 144.11504 g/mol. IUPAC: methyl 4-methylhexanoate.
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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