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.