CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Almost colourless liquid; Fruit/spice/herb aroma |
|---|---|
| Solubility | Sparingly soluble in water; soluble in triacetin and propylene glycol |
| Density | 0.949-0.954 |
| Refractive Index | 1.462-1.463 |
COMPUTED DESCRIPTORS
| Molecular Weight | 204.33 g/mol |
|---|---|
| XLogP3 | 3.1 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 8 |
| Exact Mass | 204.11840105 g/mol |
| Monoisotopic Mass | 204.11840105 g/mol |
| Topological Polar Surface Area | 27.3 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 137 |
| 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
Hexyl 3-mercaptobutanoate is a fatty acid ester.