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.