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
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