2-Ethyl acetoacetate

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:607-97-6

MDL number:MFCD00039898

EINECS number:210-151-6

RTECS number:None

BRN number:636286

PubChem number:24845390

Physical property data

Physical property data: 1. Density 0.981

2. Refractive index 1.421

3. Flash point>110°C

4. Boiling point (ºC): 198

5. Relative density (20℃, 4℃): 0.9810

6. Refractive index at normal temperature (n²⁰): 1.4225

7. Normal temperature Refractive index (n²⁵): 1.4214

8. Gas phase standard combustion heat (enthalpy) (kJ·mol^-1): -4489.2

9. Gas phase standard claimed heat (enthalpy) (kJ·mol^-1): -659.7

10. Liquid phase standard combustion heat (enthalpy) (kJ ·mol^-1): -4432.3

11. The liquid phase standard claims heat (enthalpy) (kJ·mol^-1): -716.6

Toxicological data

None yet

Ecological data

3. Ecological data:

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

Molecular structure data

5. Molecular property data:

1. Molar refractive index: 40.87

2. Molar volume (cm³/mol): 161.5

3. Isotonic specific volume (90.2K): 377.6

4. Surface tension (dyne/cm): 29.8

5. Polarizability (10^-24cm³): 16.20

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 1.3

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 3

4. Number of rotatable chemical bonds: 5

5. Number of tautomers: 5

6. Topological molecule polar surface area 43.4

7. Number of heavy atoms: 11

8. Surface charge: 0

9. Complexity: 151

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 1

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

Properties and stability:

The product may not decompose under normal temperature and pressure.

Storage method��

Storage:

Seal the container and store it in a sealed main container in a cool, dry place.

Synthesis method

None yet

Purpose

None yet

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