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 |
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.