3-(Benzo[b]thiophen-3-yl)-2,2-dimethylpropanoic acid CAS 81886-34-2
| CAS No. | 81886-34-2 |
| Molecular Formula | C13H14O2S |
| Molecular Weight | 234.31 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
3-(Benzo[b]thiophen-3-yl)-2,2-dimethylpropanoic acid (CAS 81886-34-2), molecular formula C13H14O2S and molecular weight 234.31 g/mol, is a CATO reference standard with documented purity and traceability.
Based on its molecular formula C13H14O2S, 3-(Benzo[b]thiophen-3-yl)-2,2-dimethylpropanoic acid contains a sulfone group, 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 234.31 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.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
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.
Physical & Chemical Properties
| Molecular Formula | C13H14O2S |
| Molecular Weight | 234.31 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light |
| Solubility (reference) | Soluble in chloroform, dichloromethane, ethyl acetate, DMSO |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 7.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1980 |
| Sulfur Atoms | 1 |
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Recommended Standards
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- 2-Morpholino-5-nitrobenzoic Acid (CAS 4036-83-3)
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- (E)-4-benzylidene-2-phenyloxazol-5(4H)-one (CAS 15732-43-1)
- 3-(2-Fluorophenyl)-3-phenylpropanoic acid (CAS 1142210-78-3)
- cis-3-Hydroxy-DL-proline (CAS 4298-05-9)
- 5-Methoxy-2-(methylthio)pyrimidin-4(3H)-one (CAS 1671-08-5)
- 2-(4-Chlorophenyl)cyclopropanecarbaldehyde (CAS 1422344-03-3)
- n'-Hydroxy-2-(tetrahydro-2h-pyran-2-yl)acetimidamide (CAS 1158134-36-1)
- Methyl 2-(5-imino-2,5-dihydro-1h-1,2,4-triazol-3-yl)acetate hydrochloride (CAS 1279219-32-7)
- Neuropeptide GE (CAS 134748-04-2)
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