propiophenone propiophenone
structural formula
| business number | 026g |
|---|---|
| molecular formula | c9h10o |
| molecular weight | 134.18 |
| label |
1-phenyl-1-propanone, phenylethyl ketone, phenylethyl ketone, propionylbenzene, ethyl phenyl ketone, 1-phenyl-1-propanone, propionyl benzene |
numbering system
cas number:93-55-0
mdl number:mfcd00009309
einecs number:202-257-6
rtecs number:ug7175000
brn number:606215
pubchem number:24887922
physical property data
1. properties: colorless to light amber leaf-shaped crystals or liquid. has a strong and long-lasting aroma.
2. density (g/ml, 25/4℃): 1.157 (solid), 1.0105 (liquid)
3. relative density (20℃, 4℃): 1.0096
4. melting point (ºc): 19
5. boiling point (ºc, normal pressure): 217.5
6. relative density (25℃, 4℃ ): 1.0053
7. refractive index (n20d): 1.5269
8. flash point (ºc): 999. refractive index at room temperature (n20): 1.526910. refractive index at room temperature (n25): 1.524511. gas phase standard combustion heat (enthalpy) (kj· mol-1): -4862.012. gas phase standard claimed heat (enthalpy) (kj·mol-1): -108.713. liquid phase standard heat of combustion (enthalpy) (kj ·mol-1): -4803.514. liquid phase standard claims heat (enthalpy) (kj·mol-1): -167.215. critical pressure (kpa): undetermined
16. the logarithmic value of the oil-water (octanol/water) partition coefficient: undetermined
17. the upper limit of explosion (%, v/v): undetermined
18. lower explosion limit (%, v/v): undetermined
19. solubility: miscible with methanol, absolute ethanol, ether, benzene, toluene, insoluble in water, glycerin, ethylene glycol, propylene glycol.
toxicological data
none
ecological data
none
molecular structure data
1. molar refractive index: 40.91
2. molar volume (cm3/mol): 137.4
3. isotonic specific volume (90.2k ): 332.2
4. surface tension (dyne/cm): 34.1
5. polarizability (10-24cm3): 16.21
compute chemical data
1. calculation of hydrophobic parameterstest value (xlogp): none
2. number of hydrogen bond donors: 0
3. number of hydrogen bond acceptors: 1
4. yes number of rotational chemical bonds: 2
5. number of tautomers: 2
6. topological molecule polar surface area 17.1
7. number of heavy atoms: 10
8. surface charge: 0
9. complexity: 112
10. number of isotope atoms: 0
11. determine the number of atomic stereocenters: 0
12. uncertain number of atomic stereocenters: 0
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 flue-cured tobacco leaves.
storage method
this product should be sealed and stored in a cool place.
synthesis method
1. obtained from the condensation of benzene and propionyl chloride; hydrolysis. put benzene and anhydrous aluminum trichloride into the glass-lined reaction pot, stir and cool to 10°c, and add dropwise the mixture of propionyl chloride and anhydrous benzene. after the dripping is completed, slowly raise the temperature to 20°c and maintain it for 1 hour. add the reaction solution to ice water, stir and hydrolyze below 30°c. leave to separate the oil layer, wash with sodium hydroxide solution, then wash with water until neutral, distill under reduced pressure, collect the 112-120°c (4.0kpa) fraction, which is phenyl acetone, with a yield of 85%.
2. tobacco: fc, 18.
purpose
1. used in organic synthesis, as an intermediate for the drugs metoin and cholerol and as a perfume fixative.
2. used in spices and for the synthesis of ephedrine and related compounds.