| CAS No. | 55776-83-5 |
| Molecular Formula | C12H14O4 |
| Molecular Weight | 222.24 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Compared with other compounds in its class, the molecular weight of 222.24 g/mol gives 2-(Benzo[d][1,3]dioxol-5-yl)-3-methylbutanoic acid distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
2-(Benzo[d][1,3]dioxol-5-yl)-3-methylbutanoic acid (CAS 55776-83-5) is a high-purity analytical reference standard with the molecular formula C12H14O4 and a molecular weight of 222.24 g/mol.
Based on its molecular formula C12H14O4, 2-(Benzo[d][1,3]dioxol-5-yl)-3-methylbutanoic acid contains a carboxylic acid group, a hydroxyl group, an ether linkage, an aromatic ring system; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 222.24 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. The high carbon-to-hydrogen ratio imparts good lipophilicity, allowing liquid-liquid extraction with non-polar solvents such as n-hexane or ethyl acetate.
This reference standard is suitable for quantitative analysis on major chromatographic platforms including HPLC, GC, LC-MS/MS, and GC-MS, serving as an external calibration standard or a system suitability test reference material.
The assigned purity is verified by mass-balance and quantitative NMR (qNMR) approaches, with the expanded uncertainty reported at a 95% confidence level (k=2). Batch homogeneity and stability are independently assessed for every lot.
| Molecular Formula | C12H14O4 |
| Molecular Weight | 222.24 g/mol |
| Appearance | Off-white to pale yellow crystalline powder |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in chloroform, dichloromethane, ethyl acetate, DMSO |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening |
| Degree of Unsaturation (DBE) | 6.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1972 |