Methyl eugenol

Methyl eugenol structural formula

Methyl eugenol structural formula

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. Polarizability10-24cm3):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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