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| | 2,5-Dimethylbenzoic acid Basic information |
| | 2,5-Dimethylbenzoic acid Chemical Properties |
| Melting point | 132-134 °C (lit.) | | Boiling point | 268 °C (lit.) | | density | 1,069 g/cm3 | | refractive index | 1.5188 (estimate) | | Fp | 268°C subl. | | storage temp. | Sealed in dry,Room Temperature | | solubility | Solubility - Very faint turbidity with Methanol. | | pka | pKa: 3.990(25°C) | | form | Crystalline Powder | | color | White to off-white | | Water Solubility | 0.18g/L(25 ºC) | | BRN | 971588 | | InChI | 1S/C9H10O2/c1-6-3-4-7(2)8(5-6)9(10)11/h3-5H,1-2H3,(H,10,11) | | InChIKey | XZRHNAFEYMSXRG-UHFFFAOYSA-N | | SMILES | Cc1ccc(C)c(c1)C(O)=O | | CAS DataBase Reference | 610-72-0(CAS DataBase Reference) | | NIST Chemistry Reference | Benzoic acid, 2,5-dimethyl-(610-72-0) | | EPA Substance Registry System | Benzoic acid, 2,5-dimethyl- (610-72-0) |
| Hazard Codes | Xi | | Risk Statements | 36/37/38-22 | | Safety Statements | 26-36-37/39 | | WGK Germany | 3 | | TSCA | TSCA listed | | HS Code | 29163990 | | Storage Class | 11 - Combustible Solids | | Hazard Classifications | Eye Irrit. 2
Skin Irrit. 2
STOT SE 3 |
| | 2,5-Dimethylbenzoic acid Usage And Synthesis |
| Chemical Properties | white to off-white crystalline powder | | Uses | 2,5-Dimethylbenzoic acid was used in the synthesis of new derivatives of [24]paracyclophane. It was used as starting reagent in the synthesis of methyl 2,5-dimethylbenzoate. | | Definition | ChEBI: A dimethylbenzoic acid in which the two methyl groups are located at positions 2 and 5. | | General Description | 2,5-Dimethylbenzoic acid is a metabolite of pseudocumene (1,2,4-trimethylbenzene). | | Purification Methods | Steam distil the acid, then crystallise it from EtOH or H2O (m 134-134.5o). [Beilstein 9 H 534, 9 IV 1802.] |
| | 2,5-Dimethylbenzoic acid Preparation Products And Raw materials |
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