5beta)]-alph

Name	D(-)-Quinic acid
Synonyms	5-beta))-h QUINIC ACID 5beta)]-alph D-Quinic acid (-)-QUINIC ACID D(-)-Quinic acid (3R,5R)-1,3,4,5-TETRAHYDROXY-CYCLOHEXANECARBOXYLIC ACID Cyclohexanecarboxylic acid, 1,3,4,5-tetrahydroxy-, (1.alpha.,3R,4.alpha.,5R)-
CAS	77-95-2
EINECS	201-072-8
InChI	InChI=1/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

Molecular Formula	C7H12O6
Molar Mass	192.17
Density	1.64 g/cm3 (20℃)
Melting Point	165-170°C
Boling Point	248.13°C (rough estimate)
Specific Rotation(α)	-44 º (c=11.2, H2O)
Flash Point	233.1°C
Water Solubility	400 g/l (20 ºC)
Solubility	Soluble in absolute ethanol and lye, insoluble in cold ethanol and ether.
Vapor Presure	1.58E-09mmHg at 25°C
Appearance	White to extremely yellowish crystalline powder
Color	White to very slightly yellow
Merck	14,8059
BRN	2212412
pKa	4.27±0.50(Predicted)
PH	2.0 (10g/l, H2O, 20℃)
Storage Condition	Store below +30°C.
Refractive Index	-43.5 ° (C=10, H2O)
MDL	MFCD00003864
Physical and Chemical Properties	White crystalline powder, soluble in methanol, ethanol, DMSO and other organic solvents, derived from eucommia ulmoides leaves, cinchona bark, coffee seeds, apple, peach and other fruits.

Hazard Symbols	Xi - Irritant
Risk Codes	36/37/38 - Irritating to eyes, respiratory system and skin.
Safety Description	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

EPA chemical substance information	information provided by: ofmpeb.epa.gov (external link)
Overview	quinic acid, also known as 6-methoxyquinolinecarboxylic acid, is a yellow columnar crystal. Melting point 280 °c (decomposition). Soluble in ethanol and alkali, difficult to dissolve in cold ethanol, ether. From the oxidation of quinine by chromic acid. For organic synthesis. Quinic acid is a unique alicyclic organic acid in higher plants, which is a precursor of aromatic amino acid biosynthesis. It is commonly found in vascular plants and often coexists with shikimic acid in plants. Quinic acid has a special structure and has many chiral centers. It is an important material in stereo organic synthesis and is widely used as a chiral raw material in the synthesis of natural products and the preparation of new polymeric materials.
biological activity	D-(-)-Quinic acid is a cyclohexyl carboxylic acid that is related to the acidity of coffee.
Use	D-(-)-quinic acid has the effects of enhancing bile, reducing fat, detoxifying liver and preventing fatty liver. A plant metabolite is a chiral structural unit of multi-step chemical synthesis of natural products. It has been used as a standard to determine the composition of organic acids in gentian bitter tea and developed cranberry fruit by HPLC.

Last Update：2024-04-09 21:01:54

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