Benzenebutanoic acid,2,4-dimethyl-g-oxo- supplier

Name
3-(2,4-DIMETHYLBENZOYL)PROPIONIC ACID
EINECS
CAS No. 15880-03-2
Article Data23
CAS DataBase
Density 1.138 g/cm³
Solubility
Melting Point 110～113℃
Formula C₁₂H₁₄O₃
Boiling Point 389.6 °C at 760 mmHg
Molecular Weight 206.241
Flash Point 203.6 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Propionicacid, 3-(2,4-dimethylbenzoyl)- (6CI,8CI);3-(2,4-Dimethylbenzoyl)propionicacid;4-(2,4-Dimethylphenyl)-4-oxobutanoic acid;NSC 163163;
PSA 54.37000
LogP 2.35090

Benzenebutanoic acid,2,4-dimethyl-g-oxo- 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

Product Name

3-(2,4-DIMETHYLBENZOYL)PROPIONIC ACID

Benzenebutanoic acid,2,4-dimethyl-g-oxo- Specification

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