Structural formula
| Business number | 025W |
|---|---|
| Molecular formula | C11H14O2 |
| Molecular weight | 178.23 |
| label |
Eugenol methyl ether, 1,2-Dimethoxy-4-(2-propenyl)benzene, 4-allyl-1,2-dimethoxybenzene, 1,2-Dimethoxy-4-(2-propen-1-yl)benzene, Eugenol methyl ether, Syringyl methyl ether, 6-allyl-1,2-dimethoxybenzene, 1,2-Dimethoxy-4-(2-propenyl)benzene (methyleugenol), Eugenol methyl ether, O-methyleugenol, Eugenyl methyl ether, 1,2-Dimethoxy-4-allylbenzene, Allyl veratrole, Allyl-1,2-dimethoxybenzene, 1-(3,4-Dimethoxyphenyl)-2-propen |
Numbering system
CAS number:93-15-2
MDL number:MFCD00008652
EINECS number:202-223-0
RTECS number:CY2450000
BRN number:1910871
PubChem number:24857155
Physical property data
1. Character:Colorless oily liquid with a weak aroma of eugenol.
2. Density (g/mL,25/4): 1.055
3. Relative vapor density (g/mL,AIR=1): Undetermined
4. Melting point (ºC): Undetermined
5. Boiling point (ºC,Normal pressure):248~249
6. Boiling point (ºC ,5.2kPa): Undetermined
7. Refractive index:1.532
8. Flashpoint (ºC): Undetermined
9. Specific optical rotation (º c=5,H2O ): -16–200
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/Log value of partition coefficient (water): undetermined
17. Explosion limit (%,V/V): Undetermined
18. Lower explosion limit (%,V/V): Undetermined
19. Solubility:Insoluble in water, soluble in ethanol.
Toxicological data
None
Ecological data
None
Molecular structure data
1. Molar refractive index:53.51
2. Molar Volume (m3/mol??181.8
3. isotonic specific volume (90.2K):425.9
4. Surface Tension (dyne/cm):30.1
5. Polarizability?10-24cm3):21.21
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 18.5
7. Number of heavy atoms: 13
8. Surface charge: 0
9. Complexity: 156
10. Number of isotope atoms: 0
11. Determine the number of atomic stereocenters: 0
12. Uncertain atomic stereocenterNumber of stereocenters: 0
13. Determined number of stereocenters of chemical bonds: 0
14. Uncertain number of stereocenters of chemical bonds: 0
15. Total Number of price key units: 1
Properties and stability
None
Storage method
This product should be sealed and stored in a dry place.
Synthesis method
It is produced by methylation of eugenol with methyl hydrogen sulfate.
Purpose
It is used to prepare ylang-ylang, carnation, lilac and other flavors, and is also used as a modifier for eugenol and isoeugenol. It is also commonly used in food flavors and tobacco.
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