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Quinic acid  Structure

Quinic acid

  • Product NameQuinic acid
  • CAS77-95-2
  • CBNumberCB5165597
  • MFC7H12O6
  • MW192.17
  • EINECS201-072-8
  • MDL NumberMFCD00003864
  • MOL File77-95-2.mol

Chemical Properties

Melting point: 165-170 °C
Boiling point: 248.13°C (rough estimate)
alpha  -44 º (c=11.2, H2O)
Density  1.64 g/cm3 (20℃)
bulk density 670-750kg/m3
refractive index  -43.5 ° (C=10, H2O)
storage temp.  Store below +30°C.
solubility  290g/l (experimental)
form  Crystalline Powder
pka 4.27±0.50(Predicted)
color  White to very slightly yellow
PH 2.0 (10g/l, H2O, 20℃)
optical activity [α]20/D 43.9°, c = 11.2 in H2O
Water Solubility  400 g/l (20 ºC)
Merck  14,8059
BRN  2212412
Cosmetics Ingredients Functions BUFFERING
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
InChIKey AAWZDTNXLSGCEK-WYWMIBKRSA-N
SMILES O[C@@H]1C[C@@](O)(C[C@@H](O)[C@H]1O)C(O)=O
LogP -2.023 (est)
CAS DataBase Reference 77-95-2(CAS DataBase Reference)
EPA Substance Registry System Quinic acid (77-95-2)

Safety

Symbol(GHS)  Exclamation Mark (GHS07)
Signal word  Warning
Hazard statements  H319
Precautionary statements  P264-P280-P305+P351+P338-P337+P313P
PPE Eyeshields, Gloves, type N95 (US)
Hazard Codes  Xi
Risk Statements  36/37/38
Safety Statements  22-24/25-36-26
WGK Germany  3
RTECS  GU8650000
HS Code  29181980
Storage Class 11 - Combustible Solids
Hazard Classifications Eye Irrit. 2
REACH Registrations Active
NFPA 704:
1
2 0

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Quinic acid Chemical Properties,Usage,Production

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