diethoxypropane acetone diethyl acetal

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:126-84-1

mdl number:mfcd00009224

einecs number:204-808-6

rtecs number:al4900000

brn number:none

pubchem number:24873922

physical property data

1. density: 0.82

2. flash point (℃): 2

3. boiling point (ºc): 114

4. relative density (20℃, 4℃): 0.820²¹

5. normal temperature refractive index (n²⁰): 1.3981

6 .        refractive index at room temperature (n²⁵): 1.3851

7.         critical temperature (ºc): 237.55

toxicological data

acute toxicity data

mouse abdominal ld50: 125 mg/kg

ecological data

none

molecular structure data

5. molecular property data:

1. molar refractive index: 37.93

2. molar volume (cm³/mol): 156.8

3. isotonic specific volume (90.2k): 345.0

4. surface tension (dyne/cm): 23.4

5. polarizability (10^-24cm³): 15.03

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): 1.4

2. number of hydrogen bond donors: 0

3. number of hydrogen bond acceptors: 2

4. number of rotatable chemical bonds: 4

5. number of tautomers: none

6. topological molecule polar surface area 18.5

7. number of heavy atoms: 9

8. surface charge: 0

9. complexity: 61.3

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

none

storage method

none

synthesis method

none

purpose

none