CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Liquid |
|---|---|
| Color/Form | CLEAR VISCOUS LIQUID |
| Boiling Point | 195-196.9 °C |
| Melting Point | -50 °C |
| Flash Point | 90 °C |
| Solubility | SPECIFIC OPTICAL ROTATION: -7.4 DEG AT 22 °C/D (ALCOHOL, 4%); SOL IN WATER, ALCOHOL & ACETONE /L-FORM/ |
| Density | 1.0023 @ 20 °C |
| Vapor Density | 3.1 (AIR= 1) |
| Vapor Pressure | 0.05 [mmHg] |
| LogP | -0.34 (20 °C) |
| Autoignition Temperature | 390 °C |
| Decomposition | When heated to decomposition it emits acrid smoke and irritating fumes. |
| Viscosity | Dynamic viscosity @ 20 °C is 7.3 mPa.s |
| Refractive Index | Index of Refraction = 1.4382 @ 20 °C |
| Kovats Retention Index | 812.8 |
| Other Experimental Properties | 1 PPM IS APPROX EQUAL TO 3.68 MG/CU & 1 MG/L IS APPROX EQUAL TO 272 PPM AT 25 °C, 760 MM HG |
| Chemical Classes | Other Classes -> Alcohols and Polyols, Other |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H319:Serious eye damage/eye irritation |
| Precautionary Statement Codes |
P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P280:Wear protective gloves/protective clothing/eye protection/face protection. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. P337+P313:IF eye irritation persists: Get medical advice/attention. |
COMPUTED DESCRIPTORS
| Molecular Weight | 90.12 g/mol |
|---|---|
| XLogP3 | -0.2 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 2 |
| Exact Mass | 90.068079557 g/mol |
| Monoisotopic Mass | 90.068079557 g/mol |
| Topological Polar Surface Area | 40.5 Ų |
| Heavy Atom Count | 6 |
| Formal Charge | 0 |
| Complexity | 28.7 |
| 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
Butane-1,2-diol is a butanediol in which the two hydroxy groups are located at positions 1 and 2. It has a role as a metabolite. It is a butanediol and a glycol.