Allyl Glycidyl Ether Allyl Glycidyl Ether

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:106-92-3

MDL number:MFCD00005143

EINECS number:203-442-4

RTECS number:RR0875000

BRN number:105871

PubChem number:24845890

Physical property data

1. Properties: colorless liquid ^[1]

2. Melting point (℃): -100 ^[2]

3. Boiling point (℃): 154^[3]

4. Flash point (℃): 57^[4]

5. Density: 0.962^[5]

6. Solubility: No data yet

Toxicological data

1. Acute toxicity: rat oral LD5O: 920mg/kg; rabbit skin LD5O: 2550mg/kg; rat inhalation LC5O: 860ppm/4H.

Ecological data

This substance is slightly hazardous to water.

Molecular structure data

1. Molar refractive index: 30.89

2. Molar volume (cm³/mol): 116.3

3. Isotonic specific volume (90.2K ): 277.0

4. Surface tension (dyne/cm): 32.1

5. Polarizability (10-24cm3): 12.24

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 0.4

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 2

4. Number of rotatable chemical bonds: 4

5. Number of tautomers: none

6. Topological molecule polar surface area 21.8

7. Number of heavy atoms: 8

8. Surface charge: 0

9. Complexity: 80.6

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

���Avoid contact with acids, alkalis, oxidants, and air.

Storage method

Stored in a cool, ventilated warehouse. Keep away from fire and heat sources. The storage temperature should not exceed 30℃. The packaging must be sealed and must not come into contact with air. They should be stored separately from oxidants, acids, alkalis, and food chemicals, and avoid mixed storage. Use explosion-proof lighting and ventilation facilities. It is prohibited to use mechanical equipment and tools that are prone to sparks. The storage area should be equipped with emergency release equipment and suitable containment materials.

Synthesis method

The preparation methods of allyl glycidyl ether can be divided into two main types. The first method is to use allyl alcohol and epichlorohydrin as raw materials, and perform ring-opening addition under the action of Lewis acid (H2SO4, BF3·Et2O, HClO4, etc.) An intermediate is obtained, and then the intermediate is removed from the HCl ring under the action of an alkali solution (NaOH solution, etc.) to obtain the product. The reaction formula is as follows:

The second method is phase transfer catalysis. It uses allyl alcohol and epichlorohydrin as raw materials, and reacts under the action of sodium hydroxide solution and phase transfer catalyst to directly generate allyl glycidyl ether. The reaction formula is as follows:

Purpose

1. Used to synthesize coupling agents, and can also be used as fiber modifiers, stabilizers for chlorinated organic compounds, reactive diluents for synthetic resins, and reformers. As an allylic or epoxy function with differential reactivity, used in elastomers, epoxy resins, adhesives and fibers, coating reactive intermediates, glass fiber surface repair agents; scale inhibitors, as unsaturated polyesters Air-drying agent, it can also be used as an electronic coating silicone intermediate. ^[6]