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584-03-2

584-03-2 structural image
Product Name: 1,2-BUTANEDIOL
Formula: C4H10O2
Synonyms: 1,2-Butylene glycol
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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.