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.