Pentacosanoic acid
Structural formula
| Business number | 059A |
|---|---|
| Molecular formula | C25H50O2 |
| Molecular weight | 382.66 |
| label |
n-Penticopentanoic acid, n-Pentaxosanoic acid, tricosylacetic acid, hyenic acid, acidic solvent |
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
