eicosanoic acid

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:506-30-9

MDL number:MFCD00002755

EINECS number:208-031-3

RTECS number:JX3780000

BRN number:1788211

PubChem ID:None

Physical property data

1. Properties: White glossy leaf-like crystals.

2. Density (g/mL, 25℃): (d100/4)0.884

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

4. Melting point (ºC): 77

5. Boiling point (ºC, normal pressure): 328 (partially decomposed) 204ºC (133.3pa)

6. Boiling point (ºC): 214.5²

7. Refractive index (n100/D): 1.4250

8. Refractive index at room temperature (n²⁵ ): 1.4250¹⁰⁰

9. Gas phase standard combustion heat (enthalpy) (kJ·mol^-1): -12774.4 p>

10. Gas phase standard claimed heat (enthalpy) (kJ·mol^-1): -812.4

11. Liquid phase standard combustion heat (enthalpy) (kJ ·mol^-1): -12646.8

12. The liquid phase standard claims heat (enthalpy) (kJ·mol^-1): -940.0

13. Crystalline phase standard combustion heat (enthalpy) (kJ·mol^-1): -12574.8

14. Crystalline phase standard claim heat (enthalpy) )( kJ·mol^-1): -1011.9

15. Critical pressure (KPa): Undetermined

16. Oil and water (octanol/water ) Log value of distribution coefficient: Undetermined

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

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

19. Solubility: Easily soluble in hot water, anhydrous ethanol, ether, benzene, chloroform and petroleum ether, slightly soluble in cold ethanol, almost insoluble in water, slightly soluble in cold water.

20. Flash point (ºC): 110

Toxicological data

Oncogenic data: mice implanted with TDLo: 1000 mg/kg, tumor-tumor RTECS standard, kidney, ureter, bladder-tumor

Ecological data

This substance may be harmful to the environment, and special attention should be paid to water bodies.

Molecular structure data

1. Molar refractive index: 96.27

2. Molar volume (cm³/mol): 353.2

3. Isotonic specific volume (90.2K ): 849.6

4. Surface tension (dyne/cm): 33.4

5. Polarizability (10^-24cm³): 38.16

Compute chemical data

1. Hydrophobic parameter calculation reference value (XlogP): 8.5

2. Number of hydrogen bond donors: 1

3. Number of hydrogen bond acceptors: 2

4. Number of rotatable chemical bonds: 18

5. Number of tautomers:

6. Topological molecular polar surface area (TPSA): 37.3

7. Number of heavy atoms: 22

8. Surface charge: 0

9. Complexity: 226

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 0

13. Determine the stereocenter of chemical bonds Number: 0

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

1. Use and store according to specifications. It will not decompose and avoid contact with oxides.

2. Exist in flue-cured tobacco leaves, burley tobacco leaves, oriental tobacco leaves and smoke.

Storage method

Stored in a cool, dry place. Storage temperature -20℃.

Synthesis method

1. It can be obtained by hydrolysis and separation of peanut oil. It can also be obtained by oxidizing paraffin.

2. Tobacco: FC, 9, 15, 41; BU, 9.

3. Obtain crystals from ethanol.

Purpose

Used in organic synthesis and preparation of grease, etc.