CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Liquid |
|---|---|
| Boiling Point | 216 °C |
| Melting Point | 43 °C |
| Flash Point | 101 °C |
| Solubility | Solubility in water: freely soluble |
| Density | Relative density (water = 1): 0.97 |
| Vapor Density | Relative vapor density (air = 1): 4.1 |
| LogP | 0.62 (estimated) |
| Autoignition Temperature | 490 °C |
| Kovats Retention Index | 907 942 |
| Chemical Classes | Other Classes -> Alcohols and Polyols, Other |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H302:Acute toxicity,oral H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
| Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P270:Do not eat, drink or smoke when using this product. P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell. P302+P352:IF ON SKIN: wash with plenty of soap and water. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
COMPUTED DESCRIPTORS
| Molecular Weight | 118.17 g/mol |
|---|---|
| XLogP3 | 0.4 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 3 |
| Exact Mass | 118.099379685 g/mol |
| Monoisotopic Mass | 118.099379685 g/mol |
| Topological Polar Surface Area | 40.5 Ų |
| Heavy Atom Count | 8 |
| Formal Charge | 0 |
| Complexity | 46.5 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Hexane-2,5-diol is a glycol that is hexane substituted by hydroxy groups at positions 2 and 5. It is a glycol and a secondary alcohol. It derives from a hydride of a hexane.