Benzyl propionate Benzyl propionate

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:122-63-4

MDL number:MFCD00027003

EINECS number:204-559-3

RTECS number:UA2537603

BRN number:2046122

PubChem number:24900886

Physical property data

1. Properties: Colorless liquid with aromatic odor and sweet taste.

2. Relative density (g/mL, 20/20℃): 1.034

3. Relative density (20℃, 4℃): 1.0335

4. Melting point (ºC): Undetermined

5. Boiling point (ºC, normal pressure): 222

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

7. Refractive index (20ºC): 1.4992

8. Flash point (ºC): 160

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: Soluble in alcohol and ether, insoluble in water and glycerin.

Toxicological data

None yet

Ecological data

None yet

Molecular structure data

1. Molar refractive index: 46.84

2. Molar volume (cm³/mol): 158.7

3. Isotonic specific volume (90.2K ): 388.1

4. Surface tension (dyne/cm): 35.7

5. Dielectric constant:

6. Dipole moment (10^-24cm³):

7. Polarizability: 18.56

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: 2

4. Number of rotatable chemical bonds: 4

5. Number of tautomers: none

6. Topological molecule polar surface area 26.3

7.ChongyuanNumber of subunits: 12

8. Surface charge: 0

9. Complexity: 137

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

Colorless liquid with the sweet smell of flowers. Easily soluble in organic solvents, almost insoluble in water. It has a sweet floral aroma and a fruity aroma like peach and apricot.

Storage method

This product should be kept sealed.

Synthesis method

1. Mainly adopt esterification method. It is obtained by using benzyl alcohol and propionic acid as raw materials, carrying out esterification reaction in the presence of sulfuric acid, and then neutralizing, washing, drying and distilling.

2.It is obtained by direct esterification of propionic acid and benzyl alcohol, followed by neutralization, washing, drying and vacuum distillation. It can also be obtained by the reaction of benzyl chloride and sodium propionate.

Purpose

1. Preparation of food, cigarettes, soaps, and daily cosmetic flavors, such as fragrant flavors, fruit flavors, etc. Can be used for food flavor preparation. Product quality: content ≥98%. Also used as solvent. 2.Mainly used to prepare fruit-based food flavors such as bananas, apricots, peaches, apples, strawberries, pineapples, cherries, and grapes. The dosage used in gum candies is 19~150mg/kg; in candies, it is 19mg/ kg; 17mg/kg in baked goods; 4.1mg/ in soft drinks kg; 5.8mg/kg. in cold drinks