CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Hygroscopic solid; [Acros Organics MSDS] |
|---|---|
| Kovats Retention Index | 1419 |
| Chemical Classes | Other Classes -> Alcohols and Polyols, Other |
COMPUTED DESCRIPTORS
| Molecular Weight | 174.28 g/mol |
|---|---|
| XLogP3 | 2.9 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 8 |
| Exact Mass | 174.161979940 g/mol |
| Monoisotopic Mass | 174.161979940 g/mol |
| Topological Polar Surface Area | 40.5 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 83.9 |
| 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
Decane-1,2-diol is a glycol that is decane bearing two hydroxy substituents located at positions 1 and 2. It has a role as an anti-inflammatory agent, an antioxidant and a human metabolite. It is a glycol and a volatile organic compound. It derives from a hydride of a decane.