504-63-2
Product Name:
1,3-Propanediol
Formula:
C3H8O2
Synonyms:
PG;1,3-Propanediol;Trimethylene glycol;1,3-Dihydroxypropane;Bio-PDO
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Liquid; Liquid, Other Solid |
|---|---|
| Color/Form | Colorless to pale yellow, very viscid liquid |
| Taste | Sweet |
| Boiling Point | 210-212 °C |
| Flash Point | Flash Point: 174 °F/ 345 °C /closed cup/ |
| Solubility | Miscible with water |
| Density | 1.0597 at 20 °C/4 °C |
| Vapor Pressure | 0.04 [mmHg] |
| LogP | log Kow = -1.04 |
| Stability/Shelf Life | Chemical stability: Stable under recommended storage conditions. |
| Autoignition Temperature | Ignition Temp: 752 °F/ 400 °C |
| Refractive Index | Index of refraction: 1.4398 at 20 °C/D |
| Kovats Retention Index | 814 820 812 793 802.9 793 820 |
| Other Experimental Properties | BP: 209.5 °C; density: 1.070 g/cu cm at 14 °C; index of refraction: 1.4192 at 25 °C/D; very soluble in water; soluble in ethanol /1,3-Propanediol diacetate/ |
| Chemical Classes | Other Classes -> Alcohols and Polyols, Other |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H227:Flammable liquids H315:Skin corrosion/irritation |
| Precautionary Statement Codes |
P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking. P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P280:Wear protective gloves/protective clothing/eye protection/face protection. P302+P352:IF ON SKIN: wash with plenty of soap and water. P332+P313:IF SKIN irritation occurs: Get medical advice/attention. P370+P378:In case of fire: Use … for extinction. P403+P235:Store in a well-ventilated place. Keep cool. |
COMPUTED DESCRIPTORS
| Molecular Weight | 76.09 g/mol |
|---|---|
| XLogP3 | -1 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 2 |
| Exact Mass | 76.052429494 g/mol |
| Monoisotopic Mass | 76.052429494 g/mol |
| Topological Polar Surface Area | 40.5 Ų |
| Heavy Atom Count | 5 |
| Formal Charge | 0 |
| Complexity | 12.4 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Propane-1,3-diol is the simplest member of the class of propane-1,3-diols, consisting of propane in which one hydrogen from each methyl group is substituted by a hydroxy group. A colourless, viscous, water-miscible liquid with a high (210℃) boiling point, it is used in the synthesis of certain polymers and as a solvent and antifreeze. It has a role as a protic solvent and a metabolite.