111-29-5
Product Name:
1,5-Pentanediol
Formula:
C5H12O2
Synonyms:
1,5-Pentanediol;Pentamethylene glycol
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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 |
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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.