CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Pellets or Large Crystals, Liquid |
|---|---|
| Color/Form | (96% PURE) WHITE SOLID |
| Boiling Point | 234 °C @ 737 MM HG |
| Melting Point | 51-52 °C |
| Flash Point | 113 °C |
| Solubility | SOL IN HOT BENZENE |
| Density | 0.937 AT 15 °C/15 °C |
| Vapor Pressure | 0.01 [mmHg] |
| Autoignition Temperature | 655 °F (346 °C) |
| Heat of Combustion | -5050 kJ/mol |
| Refractive Index | INDEX OF REFRACTION: 1.4513 @ 15 °C/D; SADTLER REFERENCE NUMBER: 6527 (IR, PRISM) |
| Kovats Retention Index | 1156.6 |
| Other Experimental Properties | Heat of fusion= 8.63 kJ/mole |
| 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. P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P270:Do not eat, drink or smoke when using this product. P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell. P302+P352:IF ON SKIN: wash with plenty of soap and water. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
COMPUTED DESCRIPTORS
| Molecular Weight | 146.23 g/mol |
|---|---|
| XLogP3 | 1.4 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 3 |
| Exact Mass | 146.130679813 g/mol |
| Monoisotopic Mass | 146.130679813 g/mol |
| Topological Polar Surface Area | 40.5 Ų |
| Heavy Atom Count | 10 |
| Formal Charge | 0 |
| Complexity | 97.4 |
| 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 |