CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | clear liquid |
|---|---|
| Solubility | insoluble in water; soluble in 50% heptane and ethanol, 10% triacetin |
| Density | 0.943-0.948 |
| Refractive Index | 1.4595-1.4695 |
| Kovats Retention Index | 2046 2025 |
COMPUTED DESCRIPTORS
| Molecular Weight | 232.38 g/mol |
|---|---|
| XLogP3 | 4 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 10 |
| Exact Mass | 232.14970118 g/mol |
| Monoisotopic Mass | 232.14970118 g/mol |
| Topological Polar Surface Area | 27.3 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 160 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
3-Mercaptohexyl hexanoate is a fatty acid ester.