(−)-Sinigrin hydrate
SIAL/00290 - analytical standard
CAS Number: 3952-98-5
Empirical Formula (Hill Notation): C10H16KNO9S2 · xH2O
Molecular Weight: 397.46 (anhydrous basis)
MDL Number: MFCD00149447
Linear Formula: C10H16KNO9S2 · xH2O
Product Type: Chemical
| application(s) | food and beverages |
| assay | ≥99.0% (TLC) |
| format | neat |
| grade | analytical standard |
| impurities | ≤6.0% water |
| InChI | 1S/C10H17NO9S2.K.H2O/c1-2 |
| InChI key | IUBVMJHASFBYGW-WBMBWNLZSA |
| mp | 128 (dec.) (lit.) |
| optical activity | [α]/D -17.0±1°, c = 1 in H2O |
| Quality Level | 100 ![]() |
| shelf life | limited shelf life, expiry date on the label |
| SMILES string | [K+].[H]O[H].OC[C@H]1O[C@ |
| Biochem/physiol Actions: | A β-D-thioglucopyranoside occurring in black mustard seeds and horseradish root. Substrate for thioglucosidase. |
| Packaging: | Bottomless glass bottle. Contents are inside inserted fused cone. |
| RIDADR | NONH for all modes of transport |
| WGK Germany | WGK 3 |
| Flash Point(F) | Not applicable |
| Flash Point(C) | Not applicable |
| Purity | ≥99.0% (TLC) |
| mp | 128 (dec.) (lit.) |
| UNSPSC | 85151701 |

