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