2-Hexanol, 5-methyl-, cyanoacetate
5-methylhexan-2-yl 2-cyanoacetate
Also Known As: 2-Hexanol, 5-methyl-, cyanoacetate|5-methylhexan-2-yl 2-cyanoacetate|5-Methylhexan-2-yl cyanoacetate|2-Hexanol,5-methyl-,cyanoacetate
CAS: 52688-06-9
| Molecular Formula | C10H17NO2 |
|---|---|
| Molecular Weight | 183.12593 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 50.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 183.12593 |
| Monoisotopic Mass | 183.12593 |
| Heavy Atoms | 13 |
| Complexity | 202.0 |
Chemical Identifiers
| CAS Number | 52688-06-9 |
|---|---|
| SMILES | CC(C)CCC(C)OC(=O)CC#N |
| InChIKey | KCAOOFPHJBQDFH-UHFFFAOYSA-N |
Product Overview
2-Hexanol, 5-methyl-, cyanoacetate (CAS 52688-06-9), with molecular formula C10H17NO2 and molecular weight 183.12593 g/mol. IUPAC: 5-methylhexan-2-yl 2-cyanoacetate.
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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