ethyl diacetoacetate

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:603-69-0

mdl number:mfcd00009864

einecs number:210-053-3

rtecs number:none

brn number:775014

pubchem number:24855007

physical property data

physical property data:
1. density (g/ml ,25/4℃):1.104

2. refractive index (nd20):1.47-1.473

3. flashpoint (℃):85

4. boiling point (ºc,17 mmhg): 104-105

toxicological data

none yet

ecological data

3. ecological data:

1. other harmful effects: this substance may be harmful to the environment and should be harmful to water bodies. give special attention.

molecular structure data

5. molecular property data:

1, molar refractive index:40.90

2, molar volume (m³/mol):158.6

3, isotonic specific volume (90.2k ):382.6

4, surface tension (dyne/ cm):33.8

5、 polarizability (10^-24cm³): 16.21

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): 0.3

2. number of hydrogen bond donors: 0

3. number of hydrogen bond acceptors: 4

4. number of rotatable chemical bonds: 5

5. number of tautomers: 8

6. topological molecule polar surface area 60.4

7. number of heavy atoms: 12

8. surface charge: 0

9. complexity: 193

10. number of isotope atoms: 0

11. determine the number of atomic stereocenters: 0

12. uncertain number of atomic stereocenters: 0

13. determine chemical bonds.number of stereocenters: 0

14. number of uncertain chemical bond stereocenters: 0

15. number of covalent bond units: 1

properties and stability

properties and stability:

no decomposition products may occur under normal temperatures and pressures.

storage method

storage:

seal the secret container and store it in a sealed main container in a cool place dry position.

synthesis method

none yet

purpose

none yet