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15880-03-2

Basic Information
CAS No.: 15880-03-2
Name: 3-(2,4-DIMETHYLBENZOYL)PROPIONIC ACID
Article Data: 23
Molecular Structure:
Molecular Structure of 15880-03-2 (3-(2,4-DIMETHYLBENZOYL)PROPIONIC ACID)
Formula: C12H14O3
Molecular Weight: 206.241
Synonyms: Propionicacid, 3-(2,4-dimethylbenzoyl)- (6CI,8CI);3-(2,4-Dimethylbenzoyl)propionicacid;4-(2,4-Dimethylphenyl)-4-oxobutanoic acid;NSC 163163;
Density: 1.138 g/cm3
Melting Point: 110~113℃
Boiling Point: 389.6 °C at 760 mmHg
Flash Point: 203.6 °C
PSA: 54.37000
LogP: 2.35090
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Specification

The Benzenebutanoic acid,2,4-dimethyl-g-oxo- is an organic compound with the formula C12H14O3. The IUPAC name of this chemical is 4-(2,4-Dimethylphenyl)-4-oxobutanoic acid. With the CAS registry number 15880-03-2, it is also named as 3-(2,4-Dimethylbenzoyl)propionic acid. Besides, its molecular weight is 206.2436.

Physical properties about Benzenebutanoic acid,2,4-dimethyl-g-oxo- are: (1)ACD/LogP: 2.21; (2)ACD/LogD (pH 5.5): 1.24; (3)ACD/BCF (pH 5.5): 2.99; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 40.35; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 3; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 4; (10)Polar Surface Area: 43.37 Å2; (11)Index of Refraction: 1.539; (12)Molar Refractivity: 56.76 cm3; (13)Molar Volume: 181.1 cm3; (14)Polarizability: 22.5×10-24 cm3; (15)Surface Tension: 44.9 dyne/cm; (16)Density: 1.138 g/cm3; (17)Flash Point: 203.6 °C; (18)Enthalpy of Vaporization: 67.39 kJ/mol; (19)Boiling Point: 389.6 °C at 760 mmHg; (20)Vapour Pressure: 9.1E-07 mmHg at 25 °C.

Uses of Benzenebutanoic acid,2,4-dimethyl-g-oxo-: it can be used to produce 5-(2,4-Dimethyl-phenyl)-3H-furan-2-one. It will need reagent acetyl chloride with reaction time of 15 min. The yield is about 60%.

Benzenebutanoic acid,2,4-dimethyl-g-oxo- can be used to produce 5-(2,4-Dimethyl-phenyl)-3H-furan-2-one

You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C12H14O3/c1-8-3-4-10(9(2)7-8)11(13)5-6-12(14)15/h3-4,7H,5-6H2,1-2H3,(H,14,15)
(2)InChIKey: JYLUOTCHTVZCDL-UHFFFAOYAC
(3)Std. InChI: InChI=1S/C12H14O3/c1-8-3-4-10(9(2)7-8)11(13)5-6-12(14)15/h3-4,7H,5-6H2,1-2H3,(H,14,15)
(4)Std. InChIKey: JYLUOTCHTVZCDL-UHFFFAOYSA-N