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CAS No.: | 15880-03-2 |
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Name: | 3-(2,4-DIMETHYLBENZOYL)PROPIONIC ACID |
Article Data: | 23 |
Molecular Structure: | |
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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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%.
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