eugenyl acetate 4-allyl-2-methoxyphenyl 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:93-28-7

mdl number:mfcd00026191

einecs number:202-235-6

rtecs number:sj4550000

brn number:none

pubchem number:24901117

physical property data

1. characteristics: white crystal, turning into yellow liquid when heated. has a weak fruity and clove oil aroma.

2. density (g/ml,25/4℃)： undetermined

3. relative vapor density (g/ml,air=1): undetermined

4. melting point (ºc): 29

5. boiling point (ºc,normal pressure): undetermined

6. boiling point (ºc,0.4kpa):120～121

7. refractive index: undetermined

8. flashpoint (ºc): undetermined

9. specific optical rotation (º): undetermined

10. autoignition point or ignition temperature (ºc): undetermined

11. vapor pressure (kpa,25ºc): undetermined

logarial value of partition coefficient for water: undetermined

17. explosion limit (%,v/v): undetermined

18. lower explosion limit (%,v/v): undetermined

19. solubility: insoluble in water and glycerin, soluble in organic solvents such as ethanol.

toxicological data

none

ecological data

none

molecular structure data

1. molar refractive index:58.17

2. molar volume (m³/mol):195.4

3. isotonic specific volume (90.2k):470.8

4. surface tension (dyne/cm):33.6

5. polarizability(10^-24cm³）：23.06

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: 5

5. number of tautomers: none

6. topological molecule polar surface area 35.5

7. number of heavy atoms: 15

8. surface charge: 0

9. complexity: 225

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

none

storage method

this product should be stored in a sealed, cool, dry place.

synthesis method

obtained from the acylation reaction of eugenol and acetic anhydride .

purpose

used in floral daily fragrances and also in pungent fragrance food flavor.

4

3. isotonic specific volume (90.2k):470.8

4. surface tension (dyne/cm):33.6

5. polarizability(10^-24cm³）：23.06

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: 5

5. number of tautomers: none

6. topological molecule polar surface area 35.5

7. number of heavy atoms: 15

8. surface charge: 0

9. complexity: 225

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

none

storage method

this product should be stored in a sealed, cool, dry place.

synthesis method

obtained from the acylation reaction of eugenol and acetic anhydride .

purpose

used in floral daily fragrances and also in pungent fragrance food flavor.

mso-font-kerning: 0pt”>used in floral daily flavors and spicy food flavors.