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ChemicalBook--->CAS DataBase List--->77-95-2

77-95-2

77-95-2 Structure

77-95-2 Structure
IdentificationMore
[Name]

Quinic acid
[CAS]

77-95-2
[Synonyms]

1,3,4,5-TETRAHYDROXYCYCLOHEXANECARBOXYLIC ACID
(1R,3R,4R,5R)-(-)-QUINIC ACID
(1R,3R,4S,5R)-1,3,4,5-TETRAHYDROXYCYCLOHEXANE-1-CARBOXYLIC ACID
(3R,5R)-1,3,4,5-TETRAHYDROXY-CYCLOHEXANECARBOXYLIC ACID
CHINIC ACID
D-(-)-CHINIC ACID
D-(-)-KINIC ACID
D-(-)-QUINIC ACID
D-QUINIC ACID
(-)-QUINIC ACID
QUINIC ACID
1,3,4,5-tetrahydroxy-,[1R-(1-.alpha.,3-.alpha.,4-.alpha.,5-.beta.)]-Cyclohexanecarboxylicacid
3,4,5-tetrahydroxy-(-)-cyclohexanecarboxylicaci
5-beta))-h
5beta)]-alph
Chinasaure
Cyclohexanecarboxylicacid,1,3,4,5-tetrahydroxy-,(-)-
cyclohexanecarboxylicacid,1,3,4,5-tetrahydroxy-,(1r-(1-alpha,3-alpha,4-alp
cyclohexanecarboxylicacid,1,3,4,5-tetrahydroxy-,[1theta-(1alpha,3alpha,4
Kinicacid
[EINECS(EC#)]

201-072-8
[Molecular Formula]

C7H12O6
[MDL Number]

MFCD00003864
[Molecular Weight]

192.17
[MOL File]

77-95-2.mol
Chemical PropertiesBack Directory
[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)
[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 activity]

[α]20/D 43.9°, c = 11.2 in H2O
[Water Solubility ]

400 g/l (20 ºC)
[Merck ]

14,8059
[BRN ]

2212412
[InChIKey]

AAWZDTNXLSGCEK-WYWMIBKRSA-N
[LogP]

-2.023 (est)
[CAS DataBase Reference]

77-95-2(CAS DataBase Reference)
[EPA Substance Registry System]

Quinic acid (77-95-2)
Safety DataBack Directory
[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
[Hazardous Substances Data]

77-95-2(Hazardous Substances Data)
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

1,3,4,5-Tetrahydroxycyclohexanecarboxylic acid(77-95-2).msds
Hazard InformationBack Directory
[Chemical Properties]

white to light yellow crystal powde
[Uses]

D(-)-Quinic Acid is used in the synthesis of anti-influenza/anti-swine flu medication.
[Definition]

ChEBI: (-)-quinic acid is the (-)-enantiomer of quinic acid. It is a conjugate acid of a (-)-quinate. It is an enantiomer of a (+)-quinic acid.
[General Description]

D-(-)-Quinic acid, a plant metabolite, is chiral building block used in multistep chemical synthesis of natural compounds.
[target]

Beta Amyloid | alpha-mannosidase | alpha-fucosidase
[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.]
Spectrum DetailBack Directory
[Spectrum Detail]

Quinic acid(77-95-2)MS
Quinic acid(77-95-2)1HNMR
Quinic acid(77-95-2)13CNMR
Quinic acid(77-95-2)IR1
Quinic acid(77-95-2)IR2
Quinic acid(77-95-2)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

D(-)-Quinic acid, 98+%(77-95-2)
[Alfa Aesar]

D-(-)-Quinic acid, 98%(77-95-2)
[Sigma Aldrich]

77-95-2(sigmaaldrich)
[TCI AMERICA]

D-(-)-Quinic Acid,>98.0%(T)(77-95-2)
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