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| CAS No.: | 6683-92-7 |
|---|---|
| Name: | 1-PHENYL-2-PENTANONE |
| Article Data: | 71 |
| Molecular Structure: | |
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| Formula: | C11H14O |
| Molecular Weight: | 162.232 |
| Synonyms: | 1-Phenyl-2-pentanone;Benzyl propyl ketone; |
| EINECS: | 229-726-8 |
| Density: | 0.96 g/cm3 |
| Boiling Point: | 225 °C at 760 mmHg |
| Flash Point: | 99.7 °C |
| PSA: | 17.07000 |
| LogP: | 2.59830 |
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- Total:36 Page 1 of 1 1
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Specification
This chemical is called 1-Phenylpentan-2-one, and it can also be named as Benzyl propyl ketone. With the molecular formula of C11H14O, its molecular weight is 162.23. The CAS registry number of this chemical is 6683-92-7.
Other characteristics of the 1-Phenylpentan-2-one can be summarised as followings: (1)ACD/LogP: 2.50; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.5; (4)ACD/LogD (pH 7.4): 2.5; (5)ACD/BCF (pH 5.5): 46.91; (6)ACD/BCF (pH 7.4): 46.91; (7)ACD/KOC (pH 5.5): 546.94; (8)ACD/KOC (pH 7.4): 546.94; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 17.07 Å2; (13)Index of Refraction: 1.5; (14)Molar Refractivity: 49.73 cm3; (15)Molar Volume: 168.8 cm3; (16)Polarizability: 19.71×10-24cm3; (17)Surface Tension: 34.1 dyne/cm; (18)Density: 0.96 g/cm3; (19)Flash Point: 99.7 °C; (20)Enthalpy of Vaporization: 46.15 kJ/mol; (21)Boiling Point: 225 °C at 760 mmHg; (22)Vapour Pressure: 0.0885 mmHg at 25°C.
Production method of this chemical: The 1-Phenylpentan-2-one could be obtained the reactant of 1-phenyl-pentan-2-ol , the reagent of pyridinium chlorochromate on alumina. The yield is 87 %. In addition, this reaction should be taken for 1 hour at the ambient temperature.
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Uses of this chemical: The 1,2-diphenyl-1-p-tolylamino-hexan-3-one could be obtained by the reactants of 1-Phenylpentan-2-one and N-benzylidene-4-methyl-aniline, the reagents of aq. NaOH, TEBA, and the solvent of acetonitrile. This reaction should be taken for 24 hours at the ambient temperature, and its yield is 45 %.
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You can still convert the following datas into molecular structure:
1.SMILES: O=C(Cc1ccccc1)CCC
2.InChI: InChI=1/C11H14O/c1-2-6-11(12)9-10-7-4-3-5-8-10/h3-5,7-8H,2,6,9H2,1H3
3.InChIKey: NFKAWBGFIMBUMB-UHFFFAOYAP