D-(-)-Quinic acid

Names

[ CAS No. ]:
77-95-2

[ Name ]:
D-(-)-Quinic acid

[Synonym ]:
(1R,3R,4R,5R)-(-)-quinic acid
Kinicacid
(1S,3R,4s)-1,3,4,5-Tetrahydroxycyclohexanecarboxylic acid
[1R-(1a,3a,4a,5b)]-1,3,4,5-Tetrahydroxycyclohexanecarboxylic Acid
CHINIC ACID
l-Chinic acid
D-(-)-quinic acid
5beta)]-alph
EINECS 201-072-8
(-)-quinic acid
Chinasaure
MFCD00003864
Cyclohexanecarboxylic acid, 1,3,4,5-tetrahydroxy-, (1α,3α,4α)-
l-Kinic acid

Biological Activity

[Description]:

D-(-)-Quinic acid is a cyclohexanecarboxylic acid and is implicated in the perceived acidity of coffee.

[Related Catalog]:

Signaling Pathways >> Others >> Others

Natural Products >> Acids and Aldehydes

Research Areas >> Others

[Related Small Molecules]

Chemical & Physical Properties

[ Density]:
1.8±0.1 g/cm3

[ Boiling Point ]:
438.4±45.0 °C at 760 mmHg

[ Melting Point ]:
165-170 °C

[ Molecular Formula ]:
C₇H₁₂O₆

[ Molecular Weight ]:
192.167

[ Flash Point ]:
233.1±25.2 °C

[ Exact Mass ]:
192.063385

[ PSA ]:
118.22000

[ LogP ]:
-2.01

[ Vapour Pressure ]:
0.0±2.4 mmHg at 25°C

[ Index of Refraction ]:
1.687

[ Water Solubility ]:
400 g/l (20 ºC)

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: GU8650000

CHEMICAL NAME :: Cyclohexanecarboxylic acid, 1,3,4,5-tetrahydroxy-, (-)-

CAS REGISTRY NUMBER :: 77-95-2

LAST UPDATED :: 199307

DATA ITEMS CITED :: 2

MOLECULAR FORMULA :: C7-H12-O6

MOLECULAR WEIGHT :: 192.19

WISWESSER LINE NOTATION :: L6TJ AVQ AQ CQ DQ EQ -D

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Subcutaneous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 10 gm/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: ZGEMAZ Zeitschrift fuer die Gesamte Experimentelle Medizin. (Berlin, Fed. Rep. Ger.) V.1-139, 1913-65. For publisher information, see REXMAS. Volume(issue)/page/year: 113,536,1944

Safety Information

[ Personal Protective Equipment ]:
Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter

[ Hazard Codes ]:
Xi

[ Risk Phrases ]:
R36/37/38

[ Safety Phrases ]:
S22-S24/25

[ RIDADR ]:
NONH for all modes of transport

[ WGK Germany ]:
3

[ RTECS ]:
GU8650000

[ HS Code ]:
29181980

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

DownStream

Customs

[ HS Code ]: 29181980

Articles

Antioxidant properties, phenolic composition and potentiometric sensor array evaluation of commercial and new blueberry (Vaccinium corymbosum) and bog blueberry (Vaccinium uliginosum) genotypes.

Food Chem. 188 , 583-90, (2015)

Antioxidant properties of juices of newly bred and known blueberry (Vaccinium corymbosum) genotypes and wild bog blueberry (Vaccinium uliginosum) were evaluated by ABTS(+) scavenging capacity (RSC), f...

Investigating the potential of under-utilised plants from the Asteraceae family as a source of natural antimicrobial and antioxidant extracts.

Food Chem. 161 , 79-86, (2014)

Antimicrobial properties of ethanol and water extracts from eight Asteraceae species were investigated against three Gram positive (Staphylococcus aureus, MRSA and Bacillus cereus) and two Gram negati...

Metabolomic profiles delineate potential role for sarcosine in prostate cancer progression.

Nature 457(7231) , 910-4, (2009)

Multiple, complex molecular events characterize cancer development and progression. Deciphering the molecular networks that distinguish organ-confined disease from metastatic disease may lead to the i...