Name: 4-ETHYLPHENYLACETONE
SKU: 75251-24-0

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Basic Information

Molecular Structure:
CAS No.:	75251-24-0
Name:	4-ETHYLPHENYLACETONE
Article Data:	4

Formula:	C₁₁H₁₄O
Molecular Weight:	162.232
Synonyms:	4-Ethylphenylacetone;1-(4-Ethylphenyl)propan-2-one;1-(4-Ethylphenyl)-2-propanone;1-(4-Ethylphenyl)acetone;
Density:	0.961 g/cm³
Boiling Point:	241 °C at 760 mmHg
Flash Point:	101.3 °C
Appearance:	Yellow powder
Hazard Symbols:	Xi
Risk Codes:	R36/37/38
PSA:	17.07000
LogP:	2.38050

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Specification

The 2-Propanone,1-(4-ethylphenyl)-, with the CAS registry number 75251-24-0, is also known as 4-Ethylphenylacetone. It belongs to the product category of Aromatic Ketones (substituted). This chemical's molecular formula is C₁₁H₁₄O and molecular weight is 162.23. What's more, its systematic name is 1-(4-Ethylphenyl)propan-2-one. The product should be sealed and stored in containers which are placed in cool and dry places. It should be protected from oxidizers.

Physical properties of 2-Propanone,1-(4-ethylphenyl)- are: (1)ACD/LogP: 2.43; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.43; (4)ACD/LogD (pH 7.4): 2.43; (5)ACD/BCF (pH 5.5): 41.41; (6)ACD/BCF (pH 7.4): 41.41; (7)ACD/KOC (pH 5.5): 500.22; (8)ACD/KOC (pH 7.4): 500.22; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 17.07 Å²; (13)Index of Refraction: 1.504; (14)Molar Refractivity: 50.01 cm³; (15)Molar Volume: 168.6 cm³; (16)Polarizability: 19.82×10^-24cm³; (17)Surface Tension: 33.3 dyne/cm; (18)Density: 0.961 g/cm³; (19)Flash Point: 101.3 °C; (20)Enthalpy of Vaporization: 47.79 kJ/mol; (21)Boiling Point: 241 °C at 760 mmHg; (22)Vapour Pressure: 0.0368 mmHg at 25°C.

Uses of 2-Propanone,1-(4-ethylphenyl)-: it can be used to produce 4-Ethyl-a-methyl-a-(phenylamino)benzolpropannitril. It will need solvent acetic acid with the reaction time of 4 hours. The yield is about 66%.

2-Propanone,1-(4-ethylphenyl)- can be used to produce 4-Ethyl-a-methyl-a-(phenylamino)benzolpropannitril

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCC1=CC=C(C=C1)CC(=O)C
(2)InChI: InChI=1S/C11H14O/c1-3-10-4-6-11(7-5-10)8-9(2)12/h4-7H,3,8H2,1-2H3
(3)InChIKey: DNAGWILBAXAZOH-UHFFFAOYSA-N