Quinic acid
Quinic acid ??? ???
?? ??:
77-95-2
???:
Quinic acid
???(??):
D-(-)-QUINIC ACID;Quinate;(-)-QUINIC ACID;(1R,3R,4R,5R)-(-)-QUINIC ACID;D-QUINIC ACID;(-)-Quinic acid;1,3,4,5-TETRAHYDROXYCYCLOHEXANECARBOXYLIC ACID;CHINIC ACID;(1S,3R,4S,5R)-1,3,4,5-Tetrahydroxycyclohexane-1-carboxylic acid;Kinicacid
CBNumber:
CB5165597
???:
C7H12O6
??? ??:
192.17
MOL ??:
77-95-2.mol
MSDS ??:
SDS
Quinic acid ??
???
165-170 °C
?? ?
248.13°C (rough estimate)
??
-44 º (c=11.2, H2O)
??
1.64 g/cm3 (20℃)
?? ??
670-750kg/m3
???
-43.5 ° (C=10, H2O)
?? ??
Store below +30°C.
???
290g/l(???)
??? ??
??? ??
?? ?? (pKa)
4.27±0.50(Predicted)
??
???? ?? ?? ???
??????(pH)
2.0 (10g/l, H2O, 20℃)
??? (Optical Rotation)
[α]20/D 43.9°, c = 11.2 in H2O
???
400g/L(20℃)
Merck
14,8059
BRN
2212412
??? ?? ??
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 ??????
77-95-2(CAS DataBase Reference)
EPA
Quinic acid (77-95-2)
??
?? ? ?? ??
?? ? ???? ?? (GHS)
??? ??
Xi
?? ???? ??
36/37/38
?????
22-24/25-36-26
WGK ??
3
RTECS ??
GU8650000
HS ??
29181980
???? ???
11 - Combustible Solids
Hazard Classifications
Eye Irrit. 2
???? ??
KE-33516
????(GHS):
?? ?:
Warning
??·?? ??:
??
??·?? ??
?? ??
??
?? ?
?? ??
P- ??
H319 ?? ?? ??? ???
?? ? ?? ?? ??? ??
?? 2A
??
P264, P280, P305+P351+P338,P337+P313P
??????:
P264 ?? ??? ?? ??? ????.
P264 ?? ??? ?? ??? ????.
P280 ????/???/???/?????? ?????.
P305+P351+P338 ?? ??? ? ?? ?? ???? ????. ???? ?????? ?????. ?? ????.
NFPA 704
Quinic acid C??? ??, ??, ??
??? ??
white to light yellow crystal powde
??
D(-)-Quinic Acid is used in the synthesis of anti-influenza/anti-swine flu medication.
?? ??
D-(-)-Quinic acid, a plant metabolite, is chiral building block used in multistep chemical synthesis of natural compounds.
Purification Methods
Quinic acid crystallises from H2O with m 174o, and from EtOH with m 168-169o. [McComsey & Maryanoff J Am Chem Soc 59 2652 1994, pK: Timberlake J Chem Soc 2795 1959, Anet & Reynolds Aust J Chem 8 282 1955, Beilstein 10 III 2407, 10 IV 2257.]
Quinic acid ?? ?? ? ???
???
?? ??
Ethyl 3,4-O-isopropylideneshikiMate
3-????-4-??????? ?
4-O-???????
(3R-???)-[2-[3,5-??[[(1,1-?????)?????]??]???????]??]???-??????
4,4'-?????
6-Oxabicyclo[3.2.1]octan-7-one, 1,3,4-trihydroxy-, (1S,3R,4R,5R)-
Quinic acid ?? ??
???( 418)?? ??
Belgium 2
Canada 1
China 327
Czech Republic 1
Europe 1
France 2
Germany 6
India 13
Japan 3
Poland 1
South Korea 1
Switzerland 2
United Kingdom 12
United States 46
Global 418
