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| CAS No.: | 25870-62-6 |
|---|---|
| Name: | 1-PHENYL-2-HEXANONE |
| Article Data: | 61 |
| Molecular Structure: | |
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|
|
| Formula: | C12H16O |
| Molecular Weight: | 176.258 |
| Synonyms: | 1-Phenyl-2-hexanone;Benzyl butyl ketone;Butyl benzyl ketone;NSC 15336; |
| EINECS: | 247-306-2 |
| Density: | 0.95 g/cm3 |
| Boiling Point: | 258 °C at 760mmHg |
| Flash Point: | 104.2 °C |
| Appearance: | slightly yellow liquid |
| Hazard Symbols: |
 F
|
| Risk Codes: | R11 |
| Safety: | 24/25 |
| PSA: | 17.07000 |
| LogP: | 2.98840 |
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Specification
The IUPAC name of 1-Phenyl-2-hexanone is 1-phenylhexan-2-one . With the CAS registry number 25870-62-6, it is also named as 1-Phenylhexan-2-one ; 2-Hexanone, 1-phenyl- ; Benzyl Butyl Ketone ; Benzyl n-butyl ketone ; Hexan-2-one, 1-phenyl- . It is slightly yellow liquid.
The 1-Phenyl-2-hexanone is slightly hazardous to water. It can not discharge the material into the environment without government permission. If used and stored in accordance with specifications, it will not decompose. It must avoid it contact with oxides. And avoid contact with skin and eyes. People must store the product into the closed storage manager and put in a cool, dry place.
The 1-Phenyl-2-hexanone can be obtained by many methods. Such as using N,N-dimethyl-2-phenyl-acetamide + butylmagnesium bromide as starting material; Using phenylacetic acid + butyllithium as starting material; Using dibutylcuprate(1-); lithium salt + Phenylacetyl-2-pyridyl-thioether as starting material; Using 9-(1-benzotriazol-1-yl-1-benzyl-pentyl)-9H-carbazole as starting material; Using (1-iodomethyl-1-methoxy-pentyl)-benzene as starting material; Using 2-benzyl-2-butyl-3,4,4,6-tetramethyl-[1,3]oxazinane as starting material.
The 1-Phenyl-2-hexanone also can be use in many organic synthesis. It can used in the synthesis of valeramide + 3-n-butyl-4-phenyl-1,2,5-thiadiazole , (+-)-a-hydroxy-a-butyl-bibenzyl , 2-biphenyl-4-yl-1-phenyl-hexan-2-ol , 5-benzyl-pentadec-6-yn-5-ol , 1,2-diphenyl-1-p-tolylamino-heptan-3-one , 1-(4-chloro-phenylamino)-1,2-diphenyl-heptan-3-one , 2-phenyl-1-phenylamino-1-p-tolyl-heptan-3-one , 1-(4-chloro-phenyl)-2-phenyl-1-phenylamino-heptan-3-one and so on.
The other characteristics of this product can be summarized as: (1) #H bond acceptors: 1; (2) #H bond donors: 0; (3) Index of Refraction: 1.498; (4) Molar Refractivity: 54.36 cm3; (5) Molar Volume: 185.3 cm3; (6) Polarizability: 21.55×10-24 cm3; (7) Surface Tension: 34.1 dyne/cm; (8) Enthalpy of Vaporization: 49.56 kJ/mol; (9) Vapour Pressure: 0.0141 mmHg at 25°C. People can use the following data to convert to the molecule structure. SMILES: O=C(Cc1ccccc1)CCCC; InChI: InChI=1/C12H16O/c1-2-3-9-12(13)10-11-7-5-4-6-8-11/h4-8H,2-3,9-10H2,1H3.