Synonym: (1R,3R,4S)-1,3,4-Trihydroxy-5-oxocyclohexanecarboxylic acid potassium salt; 5-Dehydroquinic acid potassium salt
CAS Number: 494211-79-9
Empirical Formula (Hill Notation): C7H9KO6
Molecular Weight: 228.24
MDL Number: MFCD11045271
Linear Formula: C7H9KO6
Product Type: Chemical
| assay |
≥97.0% (TLC) |
| form |
powder |
| InChI |
1S/C7H10O6.K/c8-3-1-7(13,6(11)12)2-4(9)5(3)10;/h3,5,8,10,13H,1-2H2,(H,11,12);/q;+1/p-1/t3-,5+,7-;/m1./s1 |
| InChI key |
XOXNBNMEMILWBJ-HOMRGJANSA-M |
| optical activity |
[α]/D -48.0±4.0°, c = 1.5 in H2O |
| Quality Level |
100  |
| SMILES string |
[K+].O[C@@H]1C[C@@](O)(CC(=O)[C@H]1O)C([O-])=O |
| storage temp. |
2-8°C |
| Biochem/physiol Actions: |
Metabolic intermediate in the shikimate pathway; metabolite standard |
| Biochem/physiol Actions: |
Metabolite of the shikimate pathway, which is required for the synthesis of aromatic compounds in microorganisms and plants. |
| Symbol |
 GHS06 |
| Signal word |
Danger |
| Hazard statements |
H301 |
| Precautionary statements |
P301 + P310 + P330 |
| Hazard Codes |
T |
| Risk Statements |
25 |
| Safety Statements |
45 |
| RIDADR |
UN 2811 6.1 / PGIII |
| WGK Germany |
WGK 3 |
| Flash Point(F) |
Not applicable |
| Flash Point(C) |
Not applicable |
| Purity |
≥97.0% (TLC) |
| Storage Temp. |
2-8°C |
| UNSPSC |
12352204 |
