3-allyloxy-1,2-propanediol 3-allyloxy-1,2-propanediol
structural formula
| business number | 03gk |
|---|---|
| molecular formula | c6h12o3 |
| molecular weight | 132.16 |
| label |
3-(2-propenoxy)-1,2-propanediol, α-allyl glyceryl ether, glyceryl allyl ether, 1-(prop-2-enyloxy)-propane-2,3-diol, aliphatic compounds |
numbering system
cas number:123-34-2
mdl number:mfcd00004721
einecs number:204-620-4
rtecs number:ty2700000
brn number:1701144
pubchem id:none
physical property data
1. character: colorless and odorless transparent liquid
2. boiling point:84.5（133pa ）
3. relative density:1.0697（20/ 4℃)
toxicological data
1, acute toxicity: mice oral ld50: 4200mg/kg
mouse subcutaneously ld50: 1135mg/kg
ecological data
none yet
molecular structure data
1. molar refractive index: 34.34
2. molar volume (m3/mol）：124.4
3. isotonic specific volume (90.2k):310.3
4. surface tension (dyne/cm):38.7
5. polarizability（10-24cm3):13.61
compute chemical data
1. reference value for hydrophobic parameter calculation (xlogp): -0.6
2. number of hydrogen bond donors: 2
3. number of hydrogen bond acceptors: 3
4. number of rotatable chemical bonds: 5
5. number of tautomers: none
6. topological molecule polar surface area 49.7
7. number of heavy atoms: 9
8. surface charge: 0
9. complexity: 72.7
10. number of isotope atoms: 0
11. determine the number of atomic stereocenters: 0
12. uncertain number of atomic stereocenters: 1
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
1. property description: colorless and odorless transparent liquid. hygroscopic.
storage method
none yet
synthesis method
2. production method: with3-propylene chloride and glycerol are used as raw materials, and ethanol is used as diluent, which can be further synthesized. raw material consumption quota: glycerol (≥95)2870kg, 4. surface tension (dyne/cm):38.7
5. polarizability（10-24cm3):13.61
compute chemical data
1. reference value for hydrophobic parameter calculation (xlogp): -0.6
2. number of hydrogen bond donors: 2
3. number of hydrogen bond acceptors: 3
4. number of rotatable chemical bonds: 5
5. number of tautomers: none
6. topological molecule polar surface area 49.7
7. number of heavy atoms: 9
8. surface charge: 0
9. complexity: 72.7
10. number of isotope atoms: 0
11. determine the number of atomic stereocenters: 0
12. uncertain number of atomic stereocenters: 1
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
1. property description: colorless and odorless transparent liquid. hygroscopic.
storage method
none yet
synthesis method
2. production method: with3-propylene chloride and glycerol are used as raw materials, and ethanol is used as diluent, which can be further synthesized. raw material consumption quota: glycerol (≥95)2870kg, t;3-chloropropylene (≥90) 2150kg、t;ethanol (≥95)3680kg、t; sodium hydroxide (≥95) 1040kg、t
purpose
3. use: can be used to introduce monomers into unsaturated double bonds in unsaturated polyester polyurethane rubber, allowing vulcanization to proceed.
roman”>t;3- chloropropylene (≥90） 2150kg、t; ethanol (≥95)3680kg, t; sodium hydroxide (≥95） 1040kg、t
purpose
3. use: can be used to introduce monomers into unsaturated double bonds in unsaturated polyester polyurethane rubber, allowing vulcanization to proceed.