structural formula
| business number | 02gk |
|---|---|
| molecular formula | c10h16 |
| molecular weight | 136.23 |
| label |
1-methyl-4-(1-methylethyl)-1,4-cyclohexadiene, gamma-terpinene, terpinene, gamma-terpinene, 1,4-pair【grass(above)+meng】diene {γ-terpinene}, γ-terpinene, 1-isopropyl-4-methyl-1,4-cyclohexadiene, p-mentha-1,4-diene, p-mentha-1,4-diene, terpinene, gamma-, 1,4-cyclohexadiene, 1-methyl-4-isopropyl-, 1-isopropyl-4-methyl-1,4-cyclohexadiene (gamma-terpinene), 1-isopropyl-4-methyl-cyclohexa-1,4-diene, 1-methyl-4-(1-methylethyl)-1,4-cyclohexadiene, 1-methyl-4-(1-methylethyl)-4-cy |
numbering system
cas number:99-85-4
mdl number:mfcd00001537
einecs number:202-794-6
rtecs number:os8070000
brn number:2038347
pubchem number:24888685
physical property data
1. properties: colorless liquid.
2. density (g/ml, 20℃): 0.85
3. relative vapor density (g/ml, air=1): 4.7
4. melting point (ºc): undetermined
5. boiling point (ºc, normal pressure): 182
6. boiling point (ºc, kpa): undetermined
7. refractive index: 1.474
8. flash point (ºc): undetermined
9. specific rotation (º): undetermined
10. autoignition point or ignition temperature (ºc): undetermined
11. vapor pressure (mmhg, 20.2ºc): ~0.7
12. saturated vapor pressure (kpa, ºc ): undetermined
13. heat of combustion (kj/mol): undetermined
14. critical temperature (ºc): undetermined
15. critical pressure (kpa): undetermined
16. log value of oil-water (octanol/water) distribution coefficient: undetermined
17. explosion upper limit (%, v/v): undetermined
18. lower explosion limit (%, v/v): undetermined
19. solubility: soluble in ethanol and most non-volatile oils, insoluble in water.
toxicological data
1. skin/eye irritation: standard dresser test: rabbit skin contact, 500mg/24hreaction severity, moderate reaction; 2. acute toxicity: rat oral ld50.�3650mg/kg;
ecological data
none yet
molecular structure data
1. molar refractive index: 45.44
2. molar volume (cm3/mol): 161.1
3. isotonic specific volume (90.2k ): 366.6
4. surface tension (dyne/cm): 26.8
5. dielectric constant: 2.65
6. dipole moment (10-24cm3):
7. polarizability: 18.01
compute chemical data
1. reference value for hydrophobic parameter calculation (xlogp): 2.8
2. number of hydrogen bond donors: 0
3. number of hydrogen bond acceptors: 0
4. number of rotatable chemical bonds: 1
5. number of tautomers: none
6. topological molecule polar surface area 0
7. number of heavy atoms: 10
8. surface charge: 0
9. complexity: 171
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
none yet
storage method
none yet
synthesis method
isolated from lantana camara essential oil.
it is obtained by reacting p-isopropyltoluene with ethanol and sodium in liquid ammonia (birch reaction).
purpose
spice. mainly used to prepare artificial lemon and peppermint essential oils.
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