3-allyloxy-1,2-propanediol 3-Allyloxy-1,2-propanediol

Structural formula

• Numbering system
• Physical property data
• Toxicological data
• Ecological data
• Molecular structure data
• Computing chemical data
• More
  • Properties and Stability
  • Storage method
  • Synthesis method
  • Purpose

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.