Myrcene Myrcene
Structural formula
| Business number | 03GL |
|---|---|
| Molecular formula | C10H16 |
| Molecular weight | 136.23 |
| label |
2-Methyl-6-methylene-2,7-octadiene, 7-Methyl-3methylene-1,6-octadiene, 2-Methyl-6-methylen-2,7-octadiene, β-Myrcene, 7-Methyl-3-methylene-1,6-octadiene, food additives, Flavor enhancer |
Numbering system
CAS number:123-35-3
MDL number:MFCD00008908
EINECS number:204-622-5
RTECS number:RG5365000
BRN number:1719990
PubChem number:24883462
Physical property data
1. Properties: colorless or light yellow liquid
2. Relative density: 0.79
3. Boiling point (ºC): 166~168
4. Refractive index (n20D): 1.4722
5. Solubility: Insoluble in water, soluble It is compatible with ethanol, chloroform and ether and can be mixed with almost all spices.
6. Liquid phase standard combustion heat (enthalpy) (kJ·mol-1): -6236.3
7. Liquid phase standard claimed heat (enthalpy) )(kJ·mol-1): 14.5
Toxicological data
Oral LC50 in mice is >48g/kg.
Ecological data
None yet
Molecular structure data
1. Molar refractive index: 47.57
2. Molar volume (cm3/mol): 177.0
3. Isotonic specific volume (90.2K ): 387.5
4. Surface tension (dyne/cm): 22.9
5. Polarizability (10-24cm3): 18.85
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): 4.3
2. Number of hydrogen bond donors: 0
3. Number of hydrogen bond acceptors: 0
4. Number of rotatable chemical bonds: 4
5. Number of tautomers: none
6. Topological molecule polar surface area 0
7. Number of heavy atoms: 10
8. Surface charge: 0
9. Complexity: 145
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
1. Myrcene has two isomers: α-myrcene and β-myrcene. β-myrcene mainly exists in nature. The content in the distillates of cotinus leaves and rhododendron leaves can reach 50% and 40% respectively, and in meat.It is also found in oil, maple oil, cypress oil, spruce oil, turpentine oil, verbena oil, lemongrass oil, and lemon oil. β-Myrcene is a colorless or light yellow liquid with a light balsamic aroma.
2. Exist in flue-cured tobacco leaves and smoke.
3. It is easy to polymerize or be oxidized when exposed to air.
Storage method
Sealed packaging in brown glass bottles or aluminum drums. Store in a cool and dry place.
Synthesis method
1. Obtained from the distillate of cotinus leaves or rhododendron leaves and then subjected to distillation and separation.
2. Tobacco: FC, 18; FC, 40.
3. Synthesis: β-pinene is obtained by pyrolysis in a metal tube at high temperature, or by dimerization of isoprene as raw material in the presence of a catalyst.
Purpose
1. Can be used to prepare edible flavors.
2. Raw materials for the synthesis of linalool, geraniol, nerolidol, citronellol, citronellal, ionone and other compounds.
