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5337-93-9

Basic Information
CAS No.: 5337-93-9
Name: 1-Propanone,1-(4-methylphenyl)-
Molecular Structure:
Molecular Structure of 5337-93-9 (1-Propanone,1-(4-methylphenyl)-)
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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    4'-Methylpropiophenone Quick details Chemical Name: 4'-Methylpropiophenone CAS No.5337-93-9 Appearence:liquid 4'-Methylpropiophenone COA Delivery time:In stock, at any timePacking detai

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  • BLOOM TECH Advanced API/Technology support 1-(p-Tolyl)propan-1-one CAS 5337-93-9

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    5337-93-9

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Specification

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%.

1-Propanone,1-(4-methylphenyl)- can be prepared by 1-p-tolyl-propan-1-ol.

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%.

1-Propanone,1-(4-methylphenyl)- can be used to get 2-bromo-1-p-tolyl-propan-1-one

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