(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.