1,1,3,3-Tetraethoxypropane 1,1,3,3-Tetrathoxypropane
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
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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
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Storage method
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Synthesis method
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Purpose
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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
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Synthesis method
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Purpose
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Synthesis method
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Purpose
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