Pentacosanoic 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:506-38-7

MDL number:MFCD00020551

EINECS number:208-036-0

RTECS number:None

BRN number:1797903

PubChem number:24898995

Physical property data

1. Characteristics: Undetermined

2. Density (g/ cm³, 25/4℃): 0.878

3. Relative steam Density (g/cm³, air=1): Undetermined

4. Melting point (ºC): 77~78

5. Boiling point (ºC , normal pressure): 412.4

6. Boiling point (ºC, 8kPa): Undetermined

7. Refractive index: Undetermined

8. Flash point ( ºC): 185

9. Specific rotation (º): Undetermined

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

11. Vapor pressure (kPa, 25ºC): Not determined

12. Saturation vapor pressure (kPa, 60ºC): Not determined

13. Heat of combustion (KJ/mol): Not determined Determined

14. Critical temperature (ºC): Undetermined

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 Confirm

19. Solubility: Soluble in ethanol.

Toxicological data

None yet

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: 119.43

2. Molar volume (cm³/mol): 435.8

3. Isotonic specific volume (90.2K ): 1048.5

4. Surface tension (dyne/cm): 33.5

5. Polarizability (10^-24cm³): 47.34

Compute chemical data

1. Hydrophobic parameter calculation reference value (XlogP): 11.2

2. Number of hydrogen bond donors: 1

3. Number of hydrogen bond acceptors: 2

4. Number of rotatable chemical bonds: 23

5. Number of tautomers:

6. �Puff molecule polar surface area (TPSA): 37.3

7, Number of heavy atoms: 27

8, Surface charge: 0

9, Complexity: 288

10. The number of isotope atoms: 0

11. The number of determined atomic stereocenters: 0

12. The number of uncertain atomic stereocenters: 0

13. Determined number of stereocenters of chemical bonds: 0

14. Uncertain number of stereocenters of chemical bonds: 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. Found in flue-cured tobacco leaves.

Storage method

Seal and store at 2-8°C in a ventilated, dry environment

Synthesis method

1. Obtain crystals from ethanol and needle crystals from benzene.

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

Purpose

None yet