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Eugenyl acetate

Structural formula of eugenol acetate

Structural formula

Business number 0263
Molecular formula C12H14O3
Molecular weight 206.24
label

4-allyl-2-methoxyphenylacetic acid,

4-acetoxy-3-methoxy-(2-propenyl)benzene,

Acetyl syringyl alcohol,

1-Acetoxy-2-methoxy-4-allylbenzene,

1,3,4-Eugenol acetate

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 aroma 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):120121


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


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. Oil and water (octanol/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 flavors and spicy food flavors.

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