Acetone dibutyl acetal

Structural formula

Business number	03U6
Molecular formula	C11H24O2
Molecular weight	188.31
label	Acetonepibutylacetal, 2,2-Dibutoxypropane, 1,1′-[(1-Methylethylidene)bis(oxy)]bis-butan, aliphatic compounds

• 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:141-72-0

MDL number:MFCD00015248

EINECS number:205-496-4

RTECS number:None

BRN number:None

PubChem ID:None

Physical property data

1. Physical property data

1. Boiling point (ºC,Normal pressure):130ºC

2. Density (g/mL,25/4℃):0.84

Toxicological data

None yet

Ecological data

3. Ecological data:

Usually for Water is not hazardous and materials should not be discharged into the surrounding environment without government permission. SPAN>

Molecular structure data

5. Molecular property data:

1. Molar refractive index:56.46

2. Molar volume (m³/ mol):222.8

3. Isotonic specific volume (90.2K): 504.2

4. Surface tension (dyne/cm) 26.1

5. Polarizability（10^-24cm³):22.38

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 3.1

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 2

4. Number of rotatable chemical bonds: 8

5. Number of tautomers: none

6. Topological molecule polar surface area 18.5

7. Number of heavy atoms: 13

8. Surface charge: 0

9. Complexity: 98.7

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

Stable under normal temperature and pressure. SPAN>

Storage method

Save in a dry and cool place.

Synthesis method

None yet

Purpose

None yet

>Surface tension (dyne/cm)26.1

5. Polarizability（10^-24cm³):22.38

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 3.1

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 2

4. Number of rotatable chemical bonds: 8

5. Number of tautomers: none

6. Topological molecule polar surface area 18.5

7. Number of heavy atoms: 13

8. Surface charge: 0

9. Complexity: 98.7

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

Stable under normal temperature and pressure. SPAN>

Storage method

Save in a dry and cool place.

Synthesis method

None yet

Purpose

None yet