| Identification | More | [Name]
2,4-Dimethylbenzoic acid | [CAS]
611-01-8 | [Synonyms]
2,4-DIMETHYLBENZOIC ACID
M-XYLENE-4-CARBOXYLIC ACID
RARECHEM AL BO 0327
2,4-dimethyl-benzoicaci
4-Carboxy-1,3-dimethylbenzene
Benzoicacid,2,4-dimethyl-
Benzoic acid, 2,4-dimethyl-(7CI,8CI,9CI)
asym.-m-xylylic acid
unsym-m-Xylic acid
unsym-m-Xylylic acid
2,4-Dimethylbezoic Acid | [EINECS(EC#)]
210-246-2 | [Molecular Formula]
C9H10O2 | [MDL Number]
MFCD00002480 | [Molecular Weight]
150.17 | [MOL File]
611-01-8.mol |
| Chemical Properties | Back Directory | [Appearance]
white crystalline powder | [Melting point ]
124-126 °C (lit.) | [Boiling point ]
267 °C/727 mmHg (lit.) | [density ]
1.0937 (estimate) | [refractive index ]
1.5222 (estimate) | [Fp ]
154°C | [storage temp. ]
Sealed in dry,Room Temperature | [solubility ]
soluble in Methanol | [form ]
Crystalline Powder | [pka]
pKa: 4.217(25°C) | [color ]
White | [Water Solubility ]
0.16g/L(25 ºC) | [BRN ]
971589 | [InChI]
1S/C9H10O2/c1-6-3-4-8(9(10)11)7(2)5-6/h3-5H,1-2H3,(H,10,11) | [InChIKey]
BKYWPNROPGQIFZ-UHFFFAOYSA-N | [SMILES]
Cc1ccc(c(C)c1)C(O)=O | [CAS DataBase Reference]
611-01-8(CAS DataBase Reference) | [NIST Chemistry Reference]
Benzoic acid, 2,4-dimethyl-(611-01-8) | [EPA Substance Registry System]
611-01-8(EPA Substance) |
| Questions And Answer | Back Directory | [Preparation]
Under nitrogen atmosphere, toluene (2.0 mL), powdered AlBr3 (267 mg, 1.00 mmol), and Ph3SiCl (1.00 mmol) were loaded into a 50 mL autoclave equipped with a glass inner tube and a magnetic stir bar. The apparatus was purged with CO2 by repeated pressurization and expansion. The final pressure was adjusted to 3.0 MPa. After stirring the mixture at room temperature for 3 hours, the reactor was depressurized. The mixture was quenched by adding 2 M HCl. The mixture was extracted with diethyl ether. The organic layer was extracted with 0.5 M Na2CO3. The extract was acidified with concentrated hydrochloric acid to release free acid. The solution was extracted with diethyl ether. The extract was dried with MgSO4. The extract was evaporated to leave a residue. The residue was purified by TLC with hexane-diethyl ether (1:1) to give 2,4-dimethylbenzoic acid. |
| Safety Data | Back Directory | [Hazard Codes ]
Xi | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing . | [WGK Germany ]
3
| [TSCA ]
Yes | [HS Code ]
29163900 | [Storage Class]
11 - Combustible Solids |
| Hazard Information | Back Directory | [Chemical Properties]
white crystalline powder | [Uses]
2,4-Dimethylbenzoic acid was used in capillary electrophoretic separation of α-, β-, γ- and δ-cyclodextrins. | [Definition]
ChEBI: A dimethylbenzoic acid in which the two methyl groups are located at positions 2 and 4. | [General Description]
2,4-Dimethylbenzoic acid has antibacterial activity. It is a metabolite of pseudocumene (1,2,4-trimethylbenzene). | [Purification Methods]
Crystallise the acid from EtOH or H2O, and sublime it in a vacuum. [Beilstein 9 H 531, 9 III 2436, 9 IV 1801.] |
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