structural formula
| business number | 03et |
|---|---|
| molecular formula | c11h24o4 |
| molecular weight | 220.31 |
| label |
malondialdehyde diethyl acetal, malondialdehyde acetyl bis(diethanol), malondialdehyde acetal, 1,1,3,3-tetraethoxypropane, 1,1,3,3-tetraethoxy-propan, malonaldehyde diethyl acetal, malonaldehydediethylacetal, tetraethoxypropane, tetraethyl malondialdehyde acetal, usaf kf-26, usafkf-26, 1,1,3,3-tetraethoxypropane, aliphatic compounds |
numbering system
cas number:122-31-6
mdl number:mfcd00009240
einecs number:204-533-1
rtecs number:on8750000
brn number:1209619
pubchem number:24900611
physical property data
1. density (g/ml ,25/4℃）： 0.919
2. refractive index (nd20): 1.41-1.412
3. flashpoint (℃):88
4. melting point (℃):-90
5. boiling point (ºc):220
6. solubility: insoluble in water.
toxicological data
1, acute toxicity: rat oral ld50: 1610mg/kg
mouse transperitoneal cavity ld50: 200mg/kg
2salmonella microbial mutations test system: 4umol/plate
ecological data
none yet
molecular structure data
5. molecular property data:
1. molar refractive index: 59.90
2. molar volume（m3/ mol）：236.3
3. isotonic ratio（90.2k, acute toxicity: rat oral ld50: 1610mg/kg
mouse transperitoneal cavity ld50: 200mg/kg
2salmonella microbial mutations test system: 4umol/plate
ecological data
none yet
molecular structure data
5. molecular property data:
1. molar refractive index: 59.90
2. molar volume（m3/ mol）：236.3
3. isotonic ratio（90.2k）：543.2
4. surface tension（dyne/cm）：27.9
5. dielectric constant:
6. dipole moment（10 -24cm3)：
7. polarizability: 23.74
compute chemical data
1. reference value for hydrophobic parameter calculation (xlogp): 1.8
2. number of hydrogen bond donors: 0
3. number of hydrogen bond acceptors: 4
4. number of rotatable chemical bonds: 10
5. number of tautomers: none
6. topological molecule polar surface area 36.9
7. number of heavy atoms: 15
8. surface charge: 0
9. complexity: 104
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 yet
storage method
none yet
synthesis method
none yet
purpose
none yet
ily: arial; mso-bidi-font-family: arial”>）：543.2
4. surface tension（dyne/cm）：27.9
5. dielectric constant:
6. dipole moment（10 -24cm3)：
7. polarizability: 23.74
compute chemical data
1. reference value for hydrophobic parameter calculation (xlogp): 1.8
2. number of hydrogen bond donors: 0
3. number of hydrogen bond acceptors: 4
4. number of rotatable chemical bonds: 10
5. number of tautomers: none
6. topological molecule polar surface area 36.9
7. number of heavy atoms: 15
8. surface charge: 0
9. complexity: 104
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 yet
storage method
none yet
synthesis method
none yet
purpose
none yet
=”zc”>storage method
none yet
synthesis method
none yet
purpose
none yet
微信扫一扫打赏
