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.