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821-11-4

821-11-4 structural image
Product Name: 2-BUTENE-1,4-DIOL
Formula: C4H8O2
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Nearly colorless, odorless liquid; [HSDB] Faintly yellow-green clear viscous liquid; [MSDSonline]
Color/Form ALMOST COLORLESS LIQUID
Odor ODORLESS
Boiling Point 141-149 °C AT 20 MM HG
Melting Point 7 °C (45 °F)
Flash Point 128 °C
Solubility VERY SOL IN WATER, ETHYL ALCOHOL, ACETONE; SPARINGLY SOL IN BENZENE
Density 1.067-1.074
Vapor Density 3.0 (AIR= 1)
Vapor Pressure 0.04 [mmHg]
Refractive Index INDEX OF REFRACTION: 1.476-1.478 AT 25 °C/D
Kovats Retention Index 960
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
Precautionary Statement Codes P264:Wash hands thoroughly after handling.
P264:Wash skin thouroughly after handling.
P270:Do not eat, drink or smoke when using this product.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
P501:Dispose of contents/container to..…

COMPUTED DESCRIPTORS

Molecular Weight 88.11 g/mol
XLogP3 -0.8
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 2
Exact Mass 88.052429494 g/mol
Monoisotopic Mass 88.052429494 g/mol
Topological Polar Surface Area 40.5 Ų
Heavy Atom Count 6
Formal Charge 0
Complexity 34.8
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 1
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

2-Butene-1,4-diol is a natural product found in Talaromyces aculeatus with data available.