22580

D-(−)-Quinic acid

purum, ≥98.0% (T)

• Empirical Formula (Hill Notation): C₇H₁₂O₆
• CAS Number: 77-95-2
• Molecular Weight: 192.17
• EC Number: 201-072-8
• UNSPSC Code: 51113400
• PubChem Substance ID: 329752326
• Beilstein/REAXYS Number: 2212412
• MDL number: MFCD00003864

Properties

• grade: purum
• assay: ≥98.0% (T)
• form: powder
• optical activity: [α]20/D −44±1°, c = 20% in H₂O
• ign. residue: ≤0.1%
• mp: 165-170 °C
• SMILES string: O[C@@H]1C[C@@](O)(C[C@@H](O)[C@H]1O)C(O)=O
• InChI: 1S/C7H12O6/c8-3-1-7(13,6(11)12)2-4(9)5(3)10/h3-5,8-10,13H,1-2H2,(H,11,12)/t3-,4-,5-,7+/m1/s1
• InChI key: AAWZDTNXLSGCEK-WYWMIBKRSA-N

Description

Other Notes

Use as chiral building block; and references cited therein.

Safety Information

• Pictograms: GHS07
• Signal Word: Warning
• Hazard Codes: H319
• Precautionary Statements: P264 - P280 - P305 + P351 + P338 - P337 + P313
• Hazard Classifications: Eye Irrit. 2
• Storage Class: 11 - Combustible Solids
• WGK: WGK 1
• Flash Point (°F): Not applicable
• Flash Point (°C): Not applicable
• PPE (personal protective equipment): Eyeshields, Gloves, type N95 (US)