benzyl methyl 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:538-86-3

MDL number:MFCD00025901

EINECS number:208-705-7

RTECS number:None

BRN number:None

PubChem ID:None

Physical property data

1. Properties: colorless liquid.

2. Relative density (g/mL, 20/4℃): 0.9634

3. Relative density (25℃, 4℃): 0.9594

4. Melting point (ºC): -52.6

5. Boiling point (ºC, normal pressure): 170

6. Boiling point (ºC, 5.2kPa): Undetermined

7. Refractive index (20ºC): 1.5008

8. Flash point (ºC): 135

9. Specific rotation (º): Undetermined

10. Autoignition point or ignition temperature (ºC): Undetermined

11. Vapor pressure (kPa, 25ºC): Undetermined

12. Saturated vapor pressure (kPa , 60ºC): Undetermined

13. Heat of combustion (KJ/mol): Undetermined

14. Critical temperature (ºC): Undetermined

15 . Critical pressure (KPa): Undetermined

16. Log value of oil-water (octanol/water) distribution coefficient: Undetermined

17. Explosion upper limit (%, V/V ): Undetermined

18. Lower explosion limit (%, V/V): Undetermined

19. Solubility: Easily soluble in ethanol and ether, soluble in benzene, almost insoluble in water.

Toxicological data

Ecological data

This substance may be harmful to the environment, and special attention should be paid to water bodies.

Molecular structure data

1. Molar refractive index: 37.54

2. Molar volume (cm³/mol): 128.6

3. Isotonic specific volume (90.2K ): 303.5

4. Surface tension (dyne/cm): 31.0

5. Polarizability (10^-24cm³): 14.88

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): None

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 1

4. Number of rotatable chemical bonds: 2

5. Number of tautomers: none

6. Topological molecule polar surface area 9.2

7. Number of heavy atoms: 9

8. Surface charge: 0

9. Complexity: 65

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

Use and store according to specifications. It will not decompose and avoid contact with oxides. It is relatively stable to alkali, oxidizing agent, reducing agent, etc., and can be decomposed by acid into methanol and benzyl alcohol.

Storage method

This product should be sealed and stored in a cool place.

Synthesis method

Purpose

Used as solvent and organic synthesis intermediate.