Ethyl diacetoacetate
Structural formula
| Business number | 067Z |
|---|---|
| Molecular formula | C8H12O4 |
| Molecular weight | 172.18 |
| label |
Ethyl diacetoacetate, (CH3CO)2CHCO2C2H5 |
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