Ethylene diethyl ester

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:542-10-9

MDL number:None

EINECS number:208-800-3

RTECS number:None

BRN number:1759322

PubChem ID:None

Physical property data

1. Characteristics: Strong fruity aroma.

2. Density (g/cm³, 25/4℃): 1.07

3. Relative steam density (g/cm³ , air=1): Undetermined

4. Melting point (ºC): 18.9

5. Boiling point (ºC, normal pressure): 167~169

6. Boiling point (ºC, 66.70kPa): Undetermined

7. Refractive index _(n²⁵_D)：1.3995-1.4015

8. Flash point (ºC): 68

9. Specific rotation (º): Undetermined

10. Autoignition point or ignition temperature (ºC): Not determined

11. Vapor pressure (kPa, 25ºC): Not determined

12. Saturated vapor pressure (kPa, 55.1ºC): Undetermined

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

14. Critical temperature (ºC): Undetermined

15. Critical pressure ( KPa): Undetermined

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

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

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

19. Solubility: Slightly soluble in water, easily soluble in ethanol and ether.

Toxicological data

None

Ecological data

This substance may be harmful to the environment, and special attention should be paid to water bodies.

Molecular structure data

1. Molar refractive index: 33.35

2. Molar volume (cm³/mol): 134.9

3. Isotonic specific volume (90.2K ): 317.7

4. Surface tension (dyne/cm): 30.7

5. Polarizability (10^-24cm³): 13.22

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 0.5

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 4

4. Number of rotatable chemical bonds: 4

5. Number of tautomers: none

6. Topological molecule polar surface area 52.6

7.Number of heavy atoms: 10

8. Surface charge: 0

9. Complexity: 125

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

1. Use and store according to specifications. It will not decompose and avoid contact with oxides.

2. Exist in mainstream smoke.

Storage method

Stored in a cool, dry and well-ventilated warehouse. Keep away from fire and heat sources. Protect from direct sunlight. The packaging is sealed. They should be stored separately from acids and food chemicals, and avoid mixed storage. Suitable materials should be available in the storage area to contain spills.

Synthesis method

1. Prepared by heating acetaldehyde and acetic anhydride.

Purpose

None

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