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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