eicosanoic acid
Structural formula
| Business number | 0597 |
|---|---|
| Molecular formula | C20H40O2 |
| Molecular weight | 312.53 |
| label |
eicosaccharide, arachidic acid, Twenty carbon saturated fatty acids, Arachic acid, Eicosanoic acid, Carboxylic acid, acidic solvent |
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.