3,4-Dimethylbenzoic acid
Synonym(s):asym.-o-Xylylic acid
- CAS NO.：619-04-5
- Empirical Formula: C9H10O2
- Molecular Weight: 150.17
- MDL number: MFCD00002524
- EINECS: 210-576-7
- Update Date: 2024-11-19 23:02:33
What is 3,4-Dimethylbenzoic acid?
Chemical properties
white to beige crystalline powder
Definition
ChEBI: A dimethylbenzoic acid in which the two methyl groups are located at positions 3 and 4.
Purification Methods
Crystallise it from EtOH or H2O (m 168-168.5o), and sublime it in vacuo. The phenyl ester has m 68o (from EtOH or pet ether) and b 155-157o/2mm. [Beilstein 9 II 353, 9 III 2441, 9 IV 1803.]
Properties of 3,4-Dimethylbenzoic acid
| Melting point: | 163-165 °C (lit.) |
| Boiling point: | 271.51°C (estimate) |
| Density | 1.0937 (estimate) |
| refractive index | 1.5188 (estimate) |
| storage temp. | Sealed in dry,Room Temperature |
| form | Crystalline Powder |
| pka | 4.44±0.10(Predicted) |
| color | White to beige |
| Water Solubility | 129.2mg/L(temperature not stated) |
| BRN | 907267 |
| CAS DataBase Reference | 619-04-5(CAS DataBase Reference) |
| NIST Chemistry Reference | Benzoic acid, 3,4-dimethyl-(619-04-5) |
| EPA Substance Registry System | 3,4-Dimethylbenzoic acid (619-04-5) |
Safety information for 3,4-Dimethylbenzoic acid
| Signal word | Warning |
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
| Precautionary Statement Codes |
P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P280:Wear protective gloves/protective clothing/eye protection/face protection. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
Computed Descriptors for 3,4-Dimethylbenzoic acid
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