diethyl ethylmalonate
Structural formula
| Business number | 03NZ |
|---|---|
| Molecular formula | C9H16O4 |
| Molecular weight | 188.22 |
| label |
2-Ethyl-malonicaciddiethylester, Diethyl 2-ethylmalonate, aliphatic compounds |
Numbering system
CAS number:133-13-1
MDL number:MFCD00009167
EINECS number:205-093-3
RTECS number:None
BRN number:607635
PubChem number:24894303
Physical property data
Boiling point (ºC): 208
Relative density (20℃, 4℃): 1.0047
Relative density (25℃, 4℃): 1.000185.6
Refractive index at room temperature (n20): 1.4166
Toxicological data
None yet
Ecological data
None yet
Molecular structure data
5. Molecular property data:
1. Molar refractive index: 47.25
2. Molar volume (cm3/mol): 184.4
3. Isotonic specific volume (90.2K): 437.0
4. Surface tension (3.0 dyne/cm): 31.5
5. Polarizability (0.5 10 -24cm3): 18.73
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): 1.8
2. Number of hydrogen bond donors: 0
3. Number of hydrogen bond acceptors: 4
4. Number of rotatable chemical bonds: 7
5. Number of tautomers: none
6. Topological molecule polar surface area 52.6
7. Number of heavy atoms: 13
8. Surface charge: 0
9. Complexity: 159
10. Number of isotope atoms: 0
11. Determine the number of atomic stereocenters: 0
12. Uncertain number of atomic stereocenters: 0
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
Basic properties
Colorless liquid. Has an ester smell. Easily soluble in ethanol and ether, soluble in acetone and chloroform, slightly soluble in water. Relative density 1.0047. Boiling point 207~209℃. Refractive index 1.4166. Flash point 88～℃.
Storage method
Storage
Keep sealed in a cool place.
Synthesis method
None yet
Purpose
Usage
Organic synthesis intermediate.
