107-88-0
Product Name:
1,3-Butanediol
Formula:
C4H10O2
Synonyms:
(±)-1,3-Butanediol;1,3-Butylene glycol
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Liquid |
|---|---|
| Color/Form | Viscous liquid |
| Odor | Practically odorless |
| Taste | Sweet flavor with bitter aftertaste |
| Boiling Point | 207.5 °C |
| Melting Point | < -50 °C |
| Flash Point | 121 °C |
| Solubility | Miscible with water |
| Density | 1.0053 g/cu cm at 20 °C |
| Vapor Density | Relative vapor density (air = 1): 3.2 |
| Vapor Pressure | 0.02 [mmHg] |
| LogP | -0.290 |
| Optical Rotation | Specific optical rotation: -18.8 deg at 25 °C/D (ethanol) /(R)-(-)isomer/ |
| Autoignition Temperature | 741 °F (393 °C) |
| Decomposition | When heated to decomposition it emits acrid smoke and irritating fumes. |
| Viscosity | 96 cSt at 25 °C |
| Heat of Vaporization | Heat of vaporization = 16.2 kcal/mol at 25 °C |
| Surface Tension | 37.8 dynes/cm at 25 °C |
| Refractive Index | Index of refraction: 1.4401 at 20 °C |
| Dissociation Constants | pKa = 15.1 at 25 °C |
| Kovats Retention Index | 777 833.2 |
| Other Experimental Properties | 1 gal weighs 8.398 lb at room temp; dielectric constant: 28.8 at 25 °C. Very hygroscopic, will absorb 38.5 wt % of water within 144 hrs at 81% relative humidity. |
| 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 | -0.4 |
| 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-1,3-diol is a butanediol compound having two hydroxy groups in the 1- and 3-positions. It is a butanediol and a glycol.