1-Phenyl-1-propanol 1-Phenyl-1-propanol
Structural formula
| Business number | 026F |
|---|---|
| Molecular formula | C9H12O |
| Molecular weight | 136.19 |
| label |
α-Phenylpropanol, 1-phenylpropanol, (±)-1-phenyl-1-propanol, α-Hydroxypropylbenzene, α-Ethylphenylmethanol, dihydroisocinnamyl alcohol, phenylpropanol, Phenylpropanol, Carbicol, a-Ethylbenzyl alcohol, alcohol solvent |
Numbering system
CAS number:93-54-9
MDL number:MFCD00004564
EINECS number:202-256-0
RTECS number:DO5470000
BRN number:1906759
PubChem number:24887381
Physical property data
1. Properties: colorless oily liquid.
2. Density (g/mL, 20/4℃): 0.993
3. Relative vapor density (g/mL, air=1): 0.9915
4. Melting point (ºC): Undetermined
5. Boiling point (ºC, normal pressure): 217~219
6. Boiling point (ºC, 2kPa):
7. Refractive index (n20D): 1.521
8. Flash point (ºC) : 90
9. Specific rotation (º): Undetermined
10. Autoignition point or ignition temperature (ºC): Undetermined
11. Vapor pressure (kPa, 25ºC): Undetermined
12. Saturated vapor pressure (kPa, 60ºC): Undetermined
13. Heat of combustion (KJ/mol): Undetermined
14. Critical temperature (ºC): Undetermined
15. Critical pressure (KPa): Undetermined
16. Oil and water (octanol/water) distribution Log value of coefficient: Undetermined
17. Explosion upper limit (%, V/V): Undetermined
18. Explosion lower limit (%, V/V): Undetermined
19. Solubility: miscible with methanol, ethanol, ether, benzene and toluene and miscible with toluene. Slightly aromatic, with a spicy and sweet taste.
Toxicological data
None
Ecological data
None
Molecular structure data
1. Molar refractive index: 41.97
2. Molar volume (cm3/mol): 137.0
3. Isotonic specific volume (90.2K ): 339.0
4. Surface tension (dyne/cm): 37.4
5. Polarizability (10-24cm3): 16.63
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): None
2. Number of hydrogen bond donors: 1
3. Number of hydrogen bond acceptors: 1
4. Number of rotatable chemical bonds: 2
5. Number of tautomers: none
6. Topological molecule polar surface area 20.2
7. Number of heavy atoms: 10
8. Surface charge: 0
9. Complexity: 84.7
10. Number of isotope atoms: 0
11. Determine the number of atomic stereocenters: 0
12. Uncertain number of atomic stereocenters: 1
13. Determine the number of chemical bond stereocenters: 0
14. Number of uncertain chemical bond stereocenters: 0
15. Number of covalent bond units: 1
Properties and stability
1. Found in tobacco leaves.
Storage method
This product should be sealed and stored in a cool place.
Synthesis method
It is obtained by reducing phenyl acetone with potassium borohydride in ethanol. Add phenylacetone and ethanol into the reaction pot, roll in potassium borohydride in batches while cooling and stirring, add hydrochloric acid dropwise to adjust the pH to 9-9.5, and control the temperature not to exceed 30°C. After the reaction is completed, neutralize it with hydrochloric acid to neutrality, recover ethanol by distillation, cool and separate into layers, separate the water layer and perform vacuum distillation to collect the 108-116°C (2.66kPa) fraction, which is 1-phenylpropanol. The yield is 96%.
Purpose
This product is used as a spice, heat transfer medium, and is also a choleretic. When used as a drug, it is also called cholerol, which can promote bile secretion, facilitate digestion, increase appetite, expel stones, and lower blood cholesterol. Suitable for cholecystitis, biliary tract infection, cholelithiasis, biliary postoperative syndrome, and hypercholesterolemia.