107-41-5
Product Name:
2-Methyl-2,4-pentanediol
Formula:
C6H14O2
Synonyms:
Hexylene glycol;MPD;2-Methyl-2,4-pentanediol;Diphosphomevalonate decarboxylase;Mevalonate (diphospho)decarboxylase
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Hexylene glycol is an oily colorless liquid with a mild sweet odor. Floats and mixes slowly with water. (USCG, 1999) |
|---|---|
| Color/Form | Liquid |
| Odor | Mild sweetish |
| Boiling Point | 387 °F at 760 mmHg (USCG, 1999) |
| Melting Point | -58 °F (USCG, 1999) |
| Flash Point | 200 °F (USCG, 1999) |
| Solubility | Miscible (NIOSH, 2023) |
| Density | 0.923 at 68 °F (USCG, 1999) - Less dense than water; will float |
| Vapor Density | Relative vapor density (air = 1): 4.1 |
| Vapor Pressure | 0.05 mmHg (NIOSH, 2023) |
| LogP | 0.58 |
| Stability/Shelf Life | Stable under recommended storage conditions. |
| Autoignition Temperature | 583 °F (USCG, 1999) |
| Decomposition | When heated to decomposition it emits acrid smoke and fumes. |
| Viscosity | 34 cP at 20 °C |
| Heat of Combustion | Standard net heat of combustion = -3.4356x10+9 J/kmol |
| Heat of Vaporization | 13.7 kcal/mol at the boiling point |
| Surface Tension | 33.1 dyne/cm at 20 °C |
| Odor Threshold | Odor Threshold Low: 3.93 [mmHg] Odor threshold of 3.93 reported |
| Refractive Index | Index of refraction: 1.4276 at 20 °C/D |
| Other Experimental Properties | Dipole moment: 2.8 |
| Chemical Classes | Other Classes -> Alcohols and Polyols, Other |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07  Health Hazard GHS08 |
| GHS Hazard Statements |
H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation |
| Precautionary Statement Codes |
P202:Do not handle until all safety precautions have been read and understood. 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. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. P308+P313:IF exposed or concerned: Get medical advice/attention. |
COMPUTED DESCRIPTORS
| Molecular Weight | 118.17 g/mol |
|---|---|
| XLogP3 | 0.3 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 2 |
| Exact Mass | 118.099379685 g/mol |
| Monoisotopic Mass | 118.099379685 g/mol |
| Topological Polar Surface Area | 40.5 Ų |
| Heavy Atom Count | 8 |
| Formal Charge | 0 |
| Complexity | 68.9 |
| 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
Hexylene glycol is an oily colorless liquid with a mild sweet odor. Floats and mixes slowly with water. (USCG, 1999)