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77-95-2

Name Quinic acid
CAS 77-95-2
EINECS(EC#) 201-072-8
Molecular Formula C7H12O6
MDL Number MFCD00003864
Molecular Weight 192.17
MOL File 77-95-2.mol
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Chemical Properties

Appearance white to light yellow crystal powde
Melting point  165-170 °C
alpha  -44 º (c=11.2, H2O)
Boiling point  248.13°C (rough estimate)
bulk density 670-750kg/m3
density  1.64 g/cm3 (20℃)
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 Rotation [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)
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Safety Data

Hazard Codes  Xi
Risk Statements 
R36/37/38:Irritating to eyes, respiratory system and skin .
Safety Statements 
S22:Do not breathe dust .
S24/25:Avoid contact with skin and eyes .
S36:Wear suitable protective clothing .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
WGK Germany  3
RTECS  GU8650000
HS Code  29181980
Storage Class 11 - Combustible Solids
Hazard Classifications Eye Irrit. 2
Hazardous Substances Data 77-95-2(Hazardous Substances Data)

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Material Safety Data Sheet(MSDS)

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