Methyl 5-methylhexanoate
methyl 5-methylhexanoate
Also Known As: Methyl 5-methylhexanoate|Methyl isoheptanoate|methyl 5-methylcaproate|methyl 5-methyl hexanoate|Hexanoic acid,5-methyl-, methyl ester|Hexanoic acid, 5-methyl-, methyl ester|METHYL5-METHYLHEXANOATE|5-Methylhexanoic acid methyl ester|5-Methyl-capronsaeure-methylester|[1,8]Naphthyridine-2-carbaldehyde
CAS: 2177-83-5
| Molecular Formula | C8H16O2 |
|---|---|
| Molecular Weight | 144.11504 g/mol |
| LogP | 2.8 |
| 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 | 97.0 |
Chemical Identifiers
| CAS Number | 2177-83-5 |
|---|---|
| SMILES | CC(C)CCCC(=O)OC |
| InChIKey | VMHVFMBDCWCBHO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Agrochemicals (14 patents)
Heterocyclic Building Blocks (17 patents)
Organic Building Blocks (23 patents)
Pharmaceutical Intermediates (15 patents)
Photographic Chemicals (14 patents)
Polymer Intermediates (4 patents)
Specialty Chemicals (1 patents)
Textile Chemicals (1 patents)
Product Overview
Methyl 5-methylhexanoate (CAS 2177-83-5), with molecular formula C8H16O2 and molecular weight 144.11504 g/mol. IUPAC: methyl 5-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.
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