2-(2-Hexyloxyethoxy)ethanol 2-(2-Hexyloxyethoxy)ethanol

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:112-59-4

MDL number:MFCD00010703

EINECS number:203-988-3

RTECS number:KL2625000

BRN number:1743959

PubChem number:24868475

Physical property data

1. Properties: colorless liquid.

2. Density (g/mL, 20℃): 0.932

3. Relative density (20℃, 4℃): 0.9364

4. Melting point (ºC): -40.2

5. Boiling point (ºC, normal pressure): 249.1

6. Boiling point (ºC, kPa): Undetermined

7 . Refractive index: 1.4381

8. Flash point (ºC): 123

9. Specific rotation (º): Undetermined

10. Autoignition point Or ignition temperature (ºC): 210

11. Vapor pressure (mmHg, ºC): Undetermined

12. Saturated vapor pressure (kPa, 20ºC): <0.01

p>

13. Heat of combustion (KJ/mol): Undetermined

14. Critical temperature (ºC): Undetermined

15. Critical pressure (KPa): Undetermined Determined

16. Log value of oil-water (octanol/water) partition coefficient: Undetermined

17. Explosion upper limit (%, V/V): 6.3

18. Lower explosion limit (%, V/V): 1.1

19. Solubility: Undetermined

Toxicological data

1. Irritation: Rabbit transdermal: 10mg/24 hours, mild irritation.

Rabbit transdermal: 500mg/24 hours, severe stimulation.

Rabbit eye: 750ug/24 hours, severe irritation.

2. Acute toxicity: rat oral LD50: 4920mg/kg

rabbit transdermal LD50: 1395mg/kg

Ecological data

Slightly hazardous to water.

Molecular structure data

5. Molecular property data:

1. Molar refractive index: 53.40

2. Molar volume (cm³/mol): 203.8

3. Isotonic specific volume (90.2K): 486.0

4. Surface tension (dyne/cm): 32.3

5. Polarizability (10^-24cm³): 21.17

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: 3

4. Number of rotatable chemical bonds: 10

5. Number of tautomers: none

6. Topological molecule polar surface area 38.7

7. Number of heavy atoms: 13

8. Surface charge: 0

9. Complexity: 86.2

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

Does not decompose under normal temperatures and pressures. Avoid contact with oxides.

Storage method

Store in a cool, ventilated warehouse. Keep away from fire and heat sources. Protect from direct sunlight. Keep container tightly sealed. should be kept away from oxidizer, do not store together. Equipped with the appropriate variety and quantity of fire equipment. The storage area should be equipped with emergency release equipment and suitable containment materials.

Synthesis method

None

Purpose

None