4-Methoxybenzyl acetate p-Methoxybenzyl alcohol acetate

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:104-21-2

MDL number:MFCD00048211

EINECS number:203-185-8

RTECS number:None

BRN number:2048967

PubChem number:24900858

Physical property data

1. Properties: It is a colorless or light yellow oily liquid with a fruity and balsamic aroma, accompanied by a raspberry-like aroma. 2. Boiling point: 2703. Solubility: insoluble in water, soluble in organic solvents such as ethanol, ether, ethyl acetate, acetone and other organic solvents. 4. Relative density (25℃/25℃): 1.11015. Refractive index: 1.511-1. .5166. Melting point (ºC): 847. Flash point (ºC): >110

Toxicological data

None yet

Ecological data

None yet

Molecular structure data

1. Molar refractive index 44.27

2. Molar volume (cm³/mol): 151.0

3. Isotonic specific volume (90.2K) :365.4

4. Surface tension (dyne/cm): 34.2

5. Dielectric constant:

6. Dipole moment (10 ^-24cm³):

7. Polarizability: 17.55

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: 3

4. Number of rotatable chemical bonds: 4

5. Number of tautomers: none

6. Topological molecule polar surface area 35.5

7. Number of heavy atoms: 13

8. Surface charge: 0

9. Complexity: 160

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

1. Exist in tobacco leaves and smoke.

2. Naturally found in certain plant essential oils and tea deer seeds.

Storage method

Packaging in galvanized iron drums or glass bottles. Store in a cool and ventilated place.

Synthesis method

1. It is produced by esterification reaction of anisyl alcohol and acetic anhydride.

2. Can be composed of acetic acid and anise Alcohol is produced by esterification reaction.

Purpose

1. It can be used as a raw material for the preparation of food flavors. The US FEMA number is 2908.

2. Can be used in food flavor formulations.