2,6-Dimethylbenzoic acid
Synonym(s):vic.-m-Xylylic acid
- CAS NO.：632-46-2
- Empirical Formula: C9H10O2
- Molecular Weight: 150.17
- MDL number: MFCD00002483
- EINECS: 211-177-0
- SAFETY DATA SHEET (SDS)
- Update Date: 2024-05-28 19:59:05
What is 2,6-Dimethylbenzoic acid?
Chemical properties
white to pale cream crystalline powder
The Uses of 2,6-Dimethylbenzoic acid
2,6-Dimethylbenzoic acid is a benzoic acid derivative used in the preparation of antiinflammatory and antirheumatic agents. And it is also a potential geothermal tracer.
The Uses of 2,6-Dimethylbenzoic acid
Benzoic acid derivative used in the preparation of antiinflammatory and antirheumatic agents. A potential geothermal tracer.
definition
ChEBI: A dimethylbenzoic acid in which the two methyl groups are located at positions 2 and 6.
Synthesis Reference(s)
Tetrahedron, 36, p. 2409, 1980 DOI: 10.1016/0040-4020(80)80219-5
General Description
Crystal structure of 2,6-dimethylbenzoic acid was studied by three-dimensional X-ray methods.
Purification Methods
Steam distil the acid, and crystallise it from EtOH or H2O (m 116.3-116.7o). The N-dimethylamide has m 62-63o (from Et2O). [Beilstein 9 H 531, 9 IV 1798.]
Properties of 2,6-Dimethylbenzoic acid
| Melting point: | 114-116 °C (lit.) |
| Boiling point: | 160 °C / 17mmHg |
| Density | 1.0937 (estimate) |
| refractive index | 1.5236 (estimate) |
| storage temp. | Sealed in dry,Room Temperature |
| form | Crystalline Powder |
| pka | pKa: 3.362(25°C) |
| color | White to pale cream |
| BRN | 1863791 |
| CAS DataBase Reference | 632-46-2(CAS DataBase Reference) |
| NIST Chemistry Reference | Benzoic acid, 2,6-dimethyl-(632-46-2) |
Safety information for 2,6-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 2,6-Dimethylbenzoic acid
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