6-tert-Butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid CAS 1082602-24-1
| CAS No. | 1082602-24-1 |
| Molecular Formula | C13H18O2S |
| Molecular Weight | 238.35 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 6-tert-Butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid is closely related to a sulfone group, a carboxylic acid group, a hydroxyl group, an ether linkage, an aromatic ring system in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
6-tert-Butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid (CAS 1082602-24-1), molecular formula C13H18O2S and molecular weight 238.35 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, 6-tert-Butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid (C13H18O2S) contains a sulfone group, 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 238.35 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.
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.
CATO manufactures 6-tert-Butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid under ISO 17034:2016 accreditation with dual CNAS and ANAB accreditation. Each batch is characterized by orthogonal methods and supplied with a full Certificate of Analysis (COA), ensuring metrological traceability.
Physical & Chemical Properties
| Molecular Formula | C13H18O2S |
| Molecular Weight | 238.35 g/mol |
| Purity | 97%+ |
| Storage | Store at room temperature |
| Solubility (reference) | Soluble in chloroform, dichloromethane, ethyl acetate, DMSO |
| Stability | May oxidize slowly on prolonged air exposure |
| Degree of Unsaturation (DBE) | 5.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1989 |
| Sulfur Atoms | 1 |
Recommended Standards
- 1-(3-(Aminomethyl)piperidin-1-yl)-2-(thiophen-2-yl)ethan-1-one (CAS 1018554-65-8)
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- Diamyl Sulfate (CAS 5867-98-1)
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