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