Alliin CAS 556-27-4
| CAS No. | 556-27-4 |
| Molecular Formula | C6H11NO3S |
| Molecular Weight | 177.22 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of Alliin is closely related to an amide group, a sulfone group, a carboxylic acid group, a hydroxyl group, an ether linkage in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
Alliin (CAS 556-27-4) is a high-purity analytical reference standard with the molecular formula C6H11NO3S and a molecular weight of 177.22 g/mol.
Owing to an amide group, a sulfone group, a carboxylic acid group, a hydroxyl group, an ether linkage, Alliin is typically white to off-white crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 177.22 g/mol — guide the selection of appropriate sample preparation and analytical techniques. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
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), Alliin 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 | C6H11NO3S |
| Molecular Weight | 177.22 g/mol |
| Purity | >95% |
| Storage | Store at 2-8°C, protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in methanol, ethanol, DMSO, water |
| Stability | Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening |
| Degree of Unsaturation (DBE) | 2.0 |
| CAS Registry Year (est.) | 1957 |
| Nitrogen Atoms | 1 |
| Sulfur Atoms | 1 |
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