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.
微信扫一扫打赏
