3-(tert-Butyl)-4-methoxybenzoic acid CAS 66737-89-1
| CAS No. | 66737-89-1 |
| Molecular Formula | C12H16O3 |
| Molecular Weight | 208.25 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
3-(tert-Butyl)-4-methoxybenzoic acid (CAS 66737-89-1), molecular formula C12H16O3 and molecular weight 208.25 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, 3-(tert-Butyl)-4-methoxybenzoic acid (C12H16O3) contains a carboxylic acid group, a hydroxyl group, an ether linkage, an aromatic ring system. The molecule exhibits a degree of unsaturation (DBE) of 5.0, corresponding to approximately 5 ring(s) or double-bond equivalent(s). With a molecular weight of 208.25 g/mol, it falls into the medium-molecular-weight range. The high carbon-to-hydrogen ratio imparts good lipophilicity, allowing liquid-liquid extraction with non-polar solvents such as n-hexane or ethyl acetate.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
As a certified reference material (CRM), 3-(tert-Butyl)-4-methoxybenzoic acid meets the metrological traceability requirements of ISO/IEC 17025 laboratories. Batch-to-batch consistency is monitored via control charts to guarantee comparable assigned values across lots.
Physical & Chemical Properties
| Molecular Formula | C12H16O3 |
| Molecular Weight | 208.25 g/mol |
| Appearance | Off-white to pale yellow crystalline powder |
| Purity | 97%+ |
| Storage | Store in a cool place (≤25°C), keep sealed and dry |
| Solubility (reference) | Soluble in chloroform, dichloromethane, ethyl acetate, DMSO |
| Stability | May oxidize slowly on prolonged air exposure; Hygroscopic; reseal immediately after opening |
| Degree of Unsaturation (DBE) | 5.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1976 |
Recommended Standards
- 3-(Tert-butyl)-2-hydroxy-6-methylbenzoic acid (CAS 6934-03-8)
- 3-[2-(propan-2-yl)phenoxy]propanoic acid (CAS 844849-89-4)
- 3-(Methoxymethyl)-4-propoxybenzaldehyde (CAS 883543-43-9)
- 3-Butoxy-4-methoxybenzaldehyde (CAS 34127-96-3)
- 1-Methyl-5-(phenylamino)-1H-pyrazol-3-ol (CAS 1005952-86-2)
- 4-(2,6-Dichloropyridin-4-yl)morpholine (CAS 852333-60-9)
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