2-Hexyloxyethanol 2-Hexyloxyethanol

Structural formula

• Numbering system
• Physical property data
• Toxicological data
• Ecological data
• Molecular structure data
• Computing chemical data
• More
  • Properties and Stability
  • Storage method
  • Synthesis method
  • Purpose

Numbering system

CAS number:112-25-4

MDL number:MFCD00045997

EINECS number:203-951-1

RTECS number:KL2450000

BRN number:1734691

PubChem number:24845604

Physical property data

1. Properties: colorless liquid.

2. Density (g/mL, 20℃): 0.8887

3. Melting point (ºC): -50.1

4. Boiling point (ºC, normal Pressure): 208.1

5. Boiling point (ºC, 0.15mmHg): 98-99

6. Refractive index (20ºC): 1.431

7. Flash Point (ºC, opening): 91

8. Viscosity (mPa·s, 20ºC): 5.2

9. Heat of vaporization (KJ/mol): 47.3

10. Vapor pressure (kPa, 20ºC): 0.013

11. Vapor pressure (kPa, 92ºC): 1.33

12. Vapor pressure (kPa, 126ºC): 6.667

13. Solubility: 0.99% dissolved in water at 20°C; 18.8% dissolved in water in ethylene glycol monohexyl ether. It can dissolve ethyl cellulose, but not cellulose acetate, polyvinyl acetate, polymethyl methacrylate, etc.

Toxicological data

1. Irritation: Rabbit percutaneous standard Drez eye dye test: 500mg mildly irritating.

Rabbit eye standard Drez eye dye test: 1mg mild irritation.

2. Acute toxicity: Oral LD50 in rats: 830mg/kg; Inhalation LC in rats: >83ppm/4H; Transdermal LD50: 810mg/kg

3. Other multiple dose toxicity: Rat inhalation TCLO: 84ppm/6H/11D-I

                                     Rat inhalation TCLO: 41ppm/6H/13W-I

Ecological data

Slightly harmful to water bodies.

Molecular structure data

1. Molar refractive index: 42.39

2. Molar volume (cm³/mol): 164.4

3. Isotonic specific volume (90.2K ): 386.8

4. Surface tension (dyne/cm): 30.6

5. Polarizability (10^-24cm³): 16.80

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): None

2. Number of hydrogen bond donors: 1

3. Number of hydrogen bond acceptors: 2

4. Number of rotatable chemical bonds: 7

5. Number of tautomers: none

6. Topological molecule polar surface area 29.5

7. Number of heavy atoms: 10

8. Surface charge: 0

9. Complexity: 55.2

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 0

13. Determine the number of chemical bond stereocenters: 0

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

Avoid contact with oxides. No significant corrosiveness to metals.

Storage method

Stored sealed in a cool, dry place. Make sure the workspace has good ventilation. Keep away from sources of fire. Store away from oxidizing agents.

Synthesis method

Refining method: fractional distillation and refining.

Purpose

Ethylene glycol monohexyl ether is a high boiling point solvent and can be used as the base material of latex paint.