96401

3-Dehydroquinic acid potassium salt

≥97.0% (TLC)

• Synonym(s): (1R,3R,4S)-1,3,4-Trihydroxy-5-oxocyclohexanecarboxylic acid potassium salt, 5-Dehydroquinic acid potassium salt
• Empirical Formula (Hill Notation): C₇H₉KO₆
• CAS Number: 494211-79-9
• Molecular Weight: 228.24
• NACRES: NA.32
• PubChem Substance ID: 329770504
• UNSPSC Code: 12352204
• MDL number: MFCD11045271

Properties

• Quality Segment: 100
• assay: ≥97.0% (TLC)
• form: powder
• optical activity: [α]/D -48.0±4.0°, c = 1.5 in H₂O
• storage temp.: 2-8°C
• SMILES string: [K+].O[C@@H]1C[C@@](O)(CC(=O)[C@H]1O)C([O-])=O
• 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

Description

Biochem/physiol Actions

Metabolic intermediate in the shikimate pathway; metabolite standard

Metabolite of the shikimate pathway, which is required for the synthesis of aromatic compounds in microorganismsand plants.

Safety Information

• Pictograms: GHS06
• Signal Word: Danger
• Hazard Codes: H301
• Precautionary Statements: P264 - P270 - P301 + P310 - P405 - P501
• Hazard Classifications: Acute Tox. 3 Oral
• Storage Class: 6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects
• WGK: WGK 3
• Flash Point (°F): Not applicable
• Flash Point (°C): Not applicable