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