Eicosane Eicosane

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:112-95-8

MDL number:MFCD00009344

EINECS number:204-018-1

RTECS number:None

BRN number:1700722

PubChem number:24868388

Physical property data

1. Properties: colorless crystal or white waxy solid

2. Density (g/mL, 25℃): 0.7886

3. Relative vapor density (g/ mL, air = 1): Undetermined

4. Melting point (ºC): 36.8

5. Boiling point (ºC, normal pressure): 343

6 . Boiling point (ºC, KPa): Undetermined

7. Refractive index (n20/D): 1.4425

8. Flash point (ºC): >110

9. Specific rotation (ºC): Undetermined

10. Autoignition point or ignition temperature (ºC): Undetermined

11. Vapor pressure (mmHg, 38ºC): Undetermined

12. Saturated vapor pressure (kPa, ºC): Undetermined

13. Heat of combustion ( KJ/mol): Undetermined

14. Critical temperature (K): 494.85

15. Critical pressure (MPa): 1.07

16. Eccentricity factor : 0.876

17. Explosion upper limit (%, V/V): Undetermined

18. Explosion lower limit (%, V/V): Undetermined

19. Solubility: Easily soluble in acetone, soluble in benzene and ether, insoluble in water.

Toxicological data

None

Ecological data

No harm to water bodies.

Molecular structure data

5. Molecular property data:

1. Molar refractive index: 94.70

2. Molar volume (cm³/mol): 358.6

3. Isotonic specific volume (90.2K): 827.8

4. Surface tension (dyne/cm): 28.3

5. Dielectric constant (F/m ): 2.08

6. Polarizability (10^-24cm³): 37.54

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: 17

5. Number of tautomers: none

6. Topological molecule polar surface area 0

7. Number of heavy atoms: 20

8. Surface charge: 0

9. Complexity: 132

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12.��Determine the number of atomic stereocenters: 0

13. Determine the number of chemical bond stereocenters: 0

14. Uncertain number of chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

1. Avoid contact with oxides.

2. Found in flue-cured tobacco leaves.

Storage method

Stored in a cool, ventilated warehouse. Keep away from fire and heat sources. They should be stored separately from oxidants, etc. and avoid mixed storage. Equipped with corresponding varieties and quantities of

fire-fighting equipment. The storage area should be equipped with emergency release equipment and suitable containment materials.

Synthesis method

1. Tobacco: FC, 18; FC, 26; FC, 40

2. Preparation method:

                                                                                                        org/internal/day_121107/201211071458194958.gif” alt=”” />  up>wAnhydrous 1 -Brodecane (2), add 70g of metallic sodium in batches at 120~140℃ (cut into small pieces, each piece is about 3g). Add one piece at a time and wait until the reaction is complete before adding another piece. After the sodium metal reaction is completed, continue stirring for 30 minutes. Slowly add cold ethanol dropwise to decompose unreacted sodium metal. The upper oil layer was separated, washed twice with hot water, dried over anhydrous sodium sulfate, fractionated under reduced pressure, and the fractions at 193-198°C were collected to obtain 150g of n-eicosane (1), with a yield of 51%. ^[1]

Purpose

Gas chromatography analysis standards, gas chromatography stationary solutions. Organic Synthesis.