(R)-(+)-Longifolia Menthone
Structural formula
| Business number | 021D |
|---|---|
| Molecular formula | C10H16O |
| Molecular weight | 152.23 |
| label |
(5R)-5-Methyl-2-(1-methylethylene)cyclohexanone, longifolia menthone, pulegone, (R)-2-Isopropylidene-5-methylcyclohexanone, (R)-p-Menth-4(8)-en-3-one |
Numbering system
CAS number:89-82-7
MDL number:MFCD00063000
EINECS number:201-943-2
RTECS number:OT0261000
BRN number:2040703
PubChem number:24887985
Physical property data
1. Properties: colorless oily liquid.
2. Density (g/mL, 25/4℃): 0.9346
3. Relative vapor density (g/mL, air=1): Undetermined
4. Melting point (ºC) undetermined
5. Boiling point (ºC, normal pressure): 223~224
6. Boiling point (ºC, 5.2kPa): Undetermined
7. Refractive index (n20D): 1.4894
8. Flash point (ºC): 82
9. Specific rotation (º): [α]D20 +21
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 Log value of the (octanol/water) partition coefficient: Undetermined
17. Explosion upper limit (%, V/V): Undetermined
18. Explosion lower limit (%, V /V): Undetermined
19. Solubility: Miscible with ethanol, ether, and chloroform, almost insoluble in water.
Toxicological data
None
Ecological data
None
Molecular structure data
1. Molar refractive index: 45.98
2. Molar volume (cm3/mol): 164.8
3. Isotonic specific volume (90.2K ): 384.2
4. Surface tension (dyne/cm): 29.5
5. Polarizability (10-24cm3): 18.23
CalculateAcademic data
1. Hydrophobic parameter calculation reference value (XlogP): 2.8
2. Number of hydrogen bond donors: 0
3. Number of hydrogen bond acceptors: 1
4. Number of rotatable chemical bonds: 0
5. Number of tautomers: 5
6. Topological molecular polar surface area (TPSA): 17.1
p>
7. Number of heavy atoms: 11
8. Surface charge: 0
9. Complexity: 197
10. Number of isotope atoms : 0
11. Determine the number of atomic stereocenters: 0
12. Uncertain number of atomic stereocenters: 1
13. Determine the chemical bond configuration Number of centers: 0
14. Number of uncertain chemical bond stereocenters: 0
15. Number of covalent bond units: 1
Properties and stability
1. Found in tobacco leaves.
Storage method
This product should be sealed with argon and stored at 4℃.
Synthesis method
1. It can be obtained by oxidation of dihydrocarvacrol or reduction of carvone.
Purpose
Preparation of chiral compounds.
