1,6-dimethylnaphthalene

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:575-43-9

mdl number:mfcd00004039

einecs number:209-385-1

rtecs number:none

brn number:1854429

pubchem number:24869400

physical property data

1. physical property data

1. properties: colorless liquid.

2. density (g/ml, 25/4℃): 1.0021

3. refractive index (nd20): 1.6166

4. flash point (℃): 112

5. melting point (℃): -16

6. boiling point (ºc): 265

7. boiling point (ºc, 2.0kpa): 130～135

8. relative density (20℃, 4℃): 1.0019

9. refractive index at room temperature (n ²⁵): 1.6050

10. liquid phase standard hot melt (j·mol^-1·k^-1): 280.0

toxicological data

none yet

ecological data

none yet

molecular structure data

5. molecular property data:

1. molar refractive index: 53.74

2. molar volume (cm³/mol): 156.0

3. isotonic specific volume (90.2k): 386.3

4. surface tension (dyne/cm): 37.5

5. polarizability (10^-24cm³): 21.30

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): none

2. number of hydrogen bond donors: 0

3. number of hydrogen bond acceptors: 0

4. number of rotatable chemical bonds: 0

5. number of tautomers: none

6. topological molecule polar surface area 0

7. number of heavy atoms: 12

8. surface charge: 0

9. complexity: 150

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

1. exists in oriental tobacco leaves and smoke.

storage method

1. storage

should be kept sealed in a cool place.

synthesis method

1. tobacco: or, 57.

purpose

2. use

used in organic synthesis.

resource:allhdi.com