structural formula
| business number | 03kc |
|---|---|
| molecular formula | c7h16o2 |
| molecular weight | 132.20 |
| label |
2,2-ethoxypropane, 2,2-diethoxypropane, diethoxypropane, 2,2-diethoxypropane,2,2-diethoxypropane, diethylacetone, acetone diethyl acetal, aliphatic compounds |
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
