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| CAS No.: | 5337-93-9 |
|---|---|
| Name: | 1-Propanone,1-(4-methylphenyl)- |
| Molecular Structure: | |
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|
| Formula: | C10H12O |
| Molecular Weight: | 148.20 |
| Synonyms: | Propiophenone,4'-methyl- (6CI,7CI,8CI);1-(4-Methylphenyl)-1-propanone;1-(4-Tolyl)-1-propanone;4'-Methylpropiophenone;Ethyl 4-methylphenyl ketone;Ethyl p-tolyl ketone;NSC 852;p-Methylpropiophenone; |
| EINECS: | 226-267-5 |
| Density: | 0.963 g/cm3 |
| Melting Point: | 7.2 °C |
| Boiling Point: | 238.5 °C at 760 mmHg |
| Flash Point: | 97.9 °C |
| Solubility: | |
| Appearance: | clear light yellow liquid |
| Hazard Symbols: | |
| Risk Codes: | |
| Safety: | 24/25 |
| Transport Information: | |
| PSA: | 17.07000 |
| LogP: | 2.58770 |
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The CAS registry number of 1-Propanone,1-(4-methylphenyl)- is 5337-93-9. Its EINECS registry number is 226-267-5. The IUPAC name is 1-(4-methylphenyl)propan-1-one. In addition, the molecular formula is C10H12O. What's more, it is a kind of clear light yellow liquid and used as a intermediate in preparation of Tolperisone.
Physical properties about this chemical are: (1)ACD/LogP: 2.66; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.66; (4)ACD/LogD (pH 7.4): 2.66; (5)ACD/BCF (pH 5.5): 61.49; (6)ACD/BCF (pH 7.4): 61.49; (7)ACD/KOC (pH 5.5): 663.84; (8)ACD/KOC (pH 7.4): 663.84; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 17.07 Å2; (13)Index of Refraction: 1.506; (14)Molar Refractivity: 45.73 cm3; (15)Molar Volume: 153.7 cm3; (16)Polarizability: 18.13 ×10-24cm3; (17)Surface Tension: 33.5 dyne/cm; (18)Density: 0.963 g/cm3; (19)Flash Point: 97.9 °C; (20)Enthalpy of Vaporization: 47.54 kJ/mol; (21)Boiling Point: 238.5 °C at 760 mmHg; (22)Vapour Pressure: 0.0423 mmHg at 25°C.
Preparation of 1-Propanone,1-(4-methylphenyl)-: it can be prepared by 1-p-tolyl-propan-1-ol. This reaction will need reagents tetrabutylammonium periodate and AlCl3, and solvent CHCl3. The reaction time is 2 hours by heating. The yield is about 90%.
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Uses of 1-Propanone,1-(4-methylphenyl)-: it can be used to get 2-bromo-1-p-tolyl-propan-1-one. This reaction will need reagent bromine and solvent acetic acid. The reaction time is 2 hours at reaction temperature of 30 °C. The yield is about 54%.
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When you are using this chemical, please be cautious about it as the following:
During using it, you should avoid contact with skin and eyes.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1ccc(cc1)C)CC
(2)InChI: InChI=1/C10H12O/c1-3-10(11)9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3
(3)InChIKey: PATYHUUYADUHQS-UHFFFAOYAY
