Benzeneacetic acid,3,4-dimethyl- supplier

Name
3,4-Dimethylphenylacetic Acid
EINECS 245-129-5
CAS No. 17283-16-8
Article Data6
CAS DataBase
Density 1.098 g/cm³
Solubility Slightly soluble in water.
Melting Point
Formula C₁₀H₁₂O₂
Boiling Point 297.3 °C at 760 mmHg
Molecular Weight 164.204
Flash Point 194.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Aceticacid, (3,4-xylyl)- (6CI,8CI);2-(3,4-Dimethylphenyl)acetic acid;3,4-Dimethylphenylacetic acid;NSC 165781;
PSA 37.30000
LogP 1.93050

Benzeneacetic acid,3,4-dimethyl- Specification

The Benzeneacetic acid, 3, 4-dimethyl-, with the CAS registry number 17283-16-8, is also known as 3, 4-Dimethylphenylacetic acid. This chemical's molecular formula is C₁₀H₁₂O₂ and molecular weight is 164.2011. What's more, its IUPAC name is 2-(3, 4-Dimethylphenyl)acetic acid.

Physical properties about Benzeneacetic acid, 3, 4-dimethyl- are: (1)ACD/LogP: 2.43; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 3; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 36.34; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 2; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 26.3 Å²; (11)Index of Refraction: 1.541; (12)Molar Refractivity: 47.01 cm³; (13)Molar Volume: 149.4 cm³; (14)Polarizability: 18.63×10^-24 cm³; (15)Surface Tension: 42.2 dyne/cm; (16)Density: 1.098 g/cm³; (17)Flash Point: 194.4 °C; (18)Enthalpy of Vaporization: 56.72 kJ/mol; (19)Boiling Point: 297.3 °C at 760 mmHg; (20)Vapour Pressure: 0.000613 mmHg at 25 °C.

Uses of Benzeneacetic acid, 3, 4-dimethyl-: it is used to produce other chemicals. For example, it is used to produce 3-(3, 4-Dimethyl-phenyl)-4-phenyl-furan-2, 5-dione by heating. The reaction needs reagent Ac₂O. The yield is about 30 %.

Benzeneacetic acid, 3, 4-dimethyl- can react with Potassium benzoyl formate to get 3-(3, 4-Dimethyl-phenyl)-4-phenyl-furan-2, 5-dione.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)Cc1cc(c(cc1)C)C
(2) InChI: InChI=1/C10H12O2/c1-7-3-4-9(5-8(7)2)6-10(11)12/h3-5H,6H2,1-2H3,(H,11,12)
(3) InChIKey: OTTPBKINJOYJGW-UHFFFAOYAG

Product Name

3,4-Dimethylphenylacetic Acid

Benzeneacetic acid,3,4-dimethyl- Specification

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