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 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.
