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.

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