2-Butoxyethyl Acetate 2-Butoxyethyl Acetate

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:112-07-2

MDL number:MFCD00009457

EINECS number:203-933-3

RTECS number:KJ8925000

BRN number:1756960

PubChem number:24878229

Physical property data

1. Properties: colorless or light yellow liquid

2. Density (g/mL, 20/20℃): 0.9422

3. Relative vapor density (g/ mL, air = 1): 5.5

4. Melting point (ºC): -64.6

5. Boiling point (ºC, normal pressure): 191.5

6 . Refractive index (20ºC): 1.4200

7. Viscosity (mPa·s, 20ºC): 1.8

8. Flash point (ºC, opening): 88

9. Autoignition point or ignition temperature (ºC): 340

10. Heat of evaporation (KJ/mol): 48.6

11. Vapor pressure (kPa, 20ºC): 0.04

12. Vapor pressure (kPa, 76ºC): 1.33

13. Vapor pressure (kPa, 109ºC): 6.07

14. Volume expansion coefficient ( K^-1,10~30ºC): 0.00104

15. Explosion lower limit (%, V/V): 0.5

16. Explosion upper limit (% , V/V): 3.7

17. Solubility: 1.1% dissolved in water at 20°C; 1.6% dissolved in water in 2-butoxyethyl acetate. Can dissolve ethyl cellulose, polyvinyl acetate, polystyrene, etc. It does not dissolve cellulose acetate, polymethyl methacrylate, polyvinyl butyral, etc.

Toxicological data

1. Acute toxicity: Mouse oral LD50: 3400mg/kg; Rat oral LD50: 2400mg/kg;

Rabbit skin LD50: 1500mg/kg

2 . Irritation to skin and eyes: 500mg/24H for rabbit skin, slightly irritating. 500mg for rabbit eyes��Has a slight irritating effect.

Ecological data

Slightly harmful to water.

Molecular structure data

1. Molar refractive index: 42.63

2. Molar volume (cm³/mol): 170.4

3. Isotonic specific volume (90.2K ): 394.8

4. Surface tension (dyne/cm): 28.8

5. Polarizability (10^-24cm³): 16.90

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 1.2

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 3

4. Number of rotatable chemical bonds: 7

5. Number of tautomers: none

6. Topological molecule polar surface area 35.5

7. Number of heavy atoms: 11

8. Surface charge: 0

9. Complexity: 102

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 and alkali.

Storage method

Store in a cool, ventilated warehouse. Keep away from fire and heat sources. Protect from direct sunlight. Keep container tightly sealed. They should be stored separately from oxidants and acids, and avoid mixed storage. 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

Refining method: Refined by fractional distillation under reduced pressure.

Purpose

Used as solvent.