3,5-Dimethoxybenzoic acid
- CAS NO.：1132-21-4
- Empirical Formula: C9H10O4
- Molecular Weight: 182.17
- MDL number: MFCD00002502
- EINECS: 214-473-8
- SAFETY DATA SHEET (SDS)
- Update Date: 2024-08-21 22:41:43
What is 3,5-Dimethoxybenzoic acid?
Chemical properties
almost white to light beige-pink cryst. powder
The Uses of 3,5-Dimethoxybenzoic acid
3,5-Dimethoxybenzoic acid (3,5-DmeoxBA) can be used as a reactant for the synthesis of:
- 5,7-Dimethoxy-3,4-diphenylisocoumarin by coupling with diphenylacetylene.
- Biotin dimedone, a reagent used in the study of protein sulfenation.
It can also be used as a ligand to synthesize lanthanide complexes [Ln(3,5-DmeoxBA)3(phen)]2; where phen is 1,10-phenanthroline.
Definition
ChEBI: 3,5-dimethoxybenzoic acid is a methoxybenzoic acid that is benzoic acid which is substituted by methoxy groups at positions 3 and 5. It has a role as a plant metabolite. It is a conjugate acid of a 3,5-dimethoxybenzoate.
Purification Methods
Crystallise the acid from water, EtOH or aqueous acetic acid and dry it in a vacuum. [Beilstein 10 H 405, 10 I 195, 10 III 1446, 10 IV 1501.]
Properties of 3,5-Dimethoxybenzoic acid
| Melting point: | 178-180 °C (lit.) |
| Boiling point: | 275.56°C (rough estimate) |
| Density | 1.2481 (rough estimate) |
| refractive index | 1.4500 (estimate) |
| storage temp. | Sealed in dry,Room Temperature |
| solubility | almost transparency in hot Methanol |
| pka | 3.96±0.10(Predicted) |
| form | Crystalline Powder |
| color | Almost white to light beige-pink |
| BRN | 511834 |
| CAS DataBase Reference | 1132-21-4(CAS DataBase Reference) |
| NIST Chemistry Reference | 3,5-Dimethoxybenzoic acid(1132-21-4) |
| EPA Substance Registry System | Benzoic acid, 3,5-dimethoxy- (1132-21-4) |
Safety information for 3,5-Dimethoxybenzoic 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 3,5-Dimethoxybenzoic acid
| InChIKey | IWPZKOJSYQZABD-UHFFFAOYSA-N |
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