111-29-5
Product Name:
1,5-Pentanediol
Formula:
C5H12O2
Synonyms:
1,5-Pentanediol;Pentamethylene glycol
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Liquid |
|---|---|
| Color/Form | Viscous, oily liquid |
| Taste | Bitter taste |
| Boiling Point | 240 °C |
| Melting Point | -18 °C |
| Flash Point | 129 °C (265 °F) (open cup) |
| Solubility | Miscible with water |
| Density | 0.9941 g/cm cu at 20 °C; 0.9858 g/cm cu at 25 °C |
| Vapor Pressure | 0.0039 [mmHg] |
| Stability/Shelf Life | Stable under recommended storage conditions. |
| Autoignition Temperature | 635 °F |
| Decomposition | When heated to decomposition it emits acrid smoke and irritating fumes. |
| Viscosity | 128 mPa.s at 20 °C |
| Heat of Combustion | -3151.05 kJ/mol at 25 °C |
| Heat of Vaporization | 82.4 kJ/mol at 25 °C |
| Refractive Index | Index of refraction: 1.4499 at 20 °C |
| Kovats Retention Index | 1016 1029 1002.6 |
| 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 H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
| Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P304+P340:IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. P405:Store locked up. |
COMPUTED DESCRIPTORS
| Molecular Weight | 104.15 g/mol |
|---|---|
| XLogP3 | -0.1 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 4 |
| Exact Mass | 104.083729621 g/mol |
| Monoisotopic Mass | 104.083729621 g/mol |
| Topological Polar Surface Area | 40.5 Ų |
| Heavy Atom Count | 7 |
| Formal Charge | 0 |
| Complexity | 25.3 |
| 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
Pentane-1,5-diol is a primary alcohol.