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
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
