Methyl 4-isopropyl-3-(methylsulfonyl)benzoate CAS 176107-23-6
| CAS No. | 176107-23-6 |
| Molecular Formula | C12H16O4S |
| Molecular Weight | 256.32 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Methyl 4-isopropyl-3-(methylsulfonyl)benzoate (CAS 176107-23-6), molecular formula C12H16O4S and molecular weight 256.32 g/mol, is a CATO reference standard with documented purity and traceability.
Owing to a sulfone group, a carboxylic acid group, a hydroxyl group, an ether linkage, an aromatic ring system, Methyl 4-isopropyl-3-(methylsulfonyl)benzoate is typically off-white to pale yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 256.32 g/mol — guide the selection of appropriate sample preparation and analytical techniques. 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), Methyl 4-isopropyl-3-(methylsulfonyl)benzoate 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 | C12H16O4S |
| Molecular Weight | 256.32 g/mol |
| 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.) | 2007 |
| Sulfur Atoms | 1 |
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- N-Boc-2-thiazolamine (CAS 170961-15-6)
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- tert-Butyl 1,2,6-thiadiazinane-2-carboxylate 1,1-dioxide (CAS 952212-86-1)
- (D-Ala1)-Peptide T amide (CAS 106362-34-9)
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