(r)-(+)-longifolia menthone

structural formula

• numbering system
• physical property data
• toxicological data
• ecological data
• molecular structure data
• computing chemical data
• more
  • properties and stability
  • storage method
  • synthesis method
  • purpose

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 _(n²⁰_d): 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.