Methyl eugenol

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
• 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:93-15-2

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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