Nonanoic acid, ester with 2,2,4-trimethyl-1,3-pentanediol
[(3R)-3-hydroxy-2,2,4-trimethylpentyl] nonanoate
Also Known As: 2,2,4-Trimethyl-1,3-pentanediol nonanoate|Pelargonic acid, 2,2,4-trimethyl-1,3-pentanediol ester|Nonanoic acid, ester with 2,2,4-trimethyl-1,3-pentanediol|[(3R)-3-hydroxy-2,2,4-trimethylpentyl] nonanoate
CAS: 71839-40-2
| Molecular Formula | C17H34O3 |
|---|---|
| Molecular Weight | 286.2508 g/mol |
| LogP | 4.3233 |
| Topological Polar Surface Area | 46.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 11 |
| Exact Mass | 286.2508 |
| Monoisotopic Mass | 286.2508 |
| Heavy Atoms | 20 |
| Complexity | 258.96072 |
Chemical Identifiers
| CAS Number | 71839-40-2 |
|---|---|
| SMILES | CCCCCCCCC(=O)OCC(C)(C)[C@@H](C(C)C)O |
Product Overview
Nonanoic acid, ester with 2,2,4-trimethyl-1,3-pentanediol (CAS 71839-40-2), with molecular formula C17H34O3 and molecular weight 286.2508 g/mol. IUPAC: [(3R)-3-hydroxy-2,2,4-trimethylpentyl] nonanoate.
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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