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

resource:allhdi.com