D-(-)-Quinic acid

Modify Date: 2025-08-20 18:46:29

D-(-)-Quinic acid Structure
D-(-)-Quinic acid structure
 Common Name D-(-)-Quinic acid
CAS Number 77-95-2 Molecular Weight 192.167
Density 1.8±0.1 g/cm3 Boiling Point 438.4±45.0 °C at 760 mmHg
Molecular Formula C7H12O6 Melting Point 165-170 °C
MSDS Chinese USA Flash Point 233.1±25.2 °C

 Use of D-(-)-Quinic acid


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

 Names

Name Quinic acid
Synonym More Synonyms

 D-(-)-Quinic acid Biological Activity

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

 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
InChIKey AAWZDTNXLSGCEK-LNVDRNJUSA-N
SMILES O=C(O)C1(O)CC(O)C(O)C(O)C1
Water Solubility 400 g/l (20 ºC)

 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

 Customs

HS Code 29181980

 Articles67

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 D-(-)-Quinic acidBioassay

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Name: Luminescence-based cell-based primary high throughput screening assay to identify ago...
Source: The Scripps Research Institute Molecular Screening Center
Target: mu-type opioid receptor isoform MOR-1 [Homo sapiens]
External Id: OPRM1-OPRD1_AG_LUMI_1536_1X%ACT PRUN
Name: QFRET-based biochemical primary high throughput screening assay to identify exosite i...
Source: The Scripps Research Institute Molecular Screening Center
Target: disintegrin and metalloproteinase domain-containing protein 17 preproprotein [Homo sapiens]
External Id: ADAM17_INH_QFRET_1536_1X%INH PRUN
Name: ERK5 transcriptional activity HTS
Source: 24565
Target: N/A
External Id: ERK5 transcriptional activity-HTS
Name: Fluorescence-based cell-based primary high throughput screening assay to identify ago...
Source: The Scripps Research Institute Molecular Screening Center
Target: muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id: CHRM1_AG_FLUO8_1536_1X%ACT PRUN
Name: Fluorescence polarization to screen for inhibitor that competite the binding of FadD2...
Source: Broad Institute
Target: FATTY-ACID-CoA LIGASE FADD28 (FATTY-ACID-CoA SYNTHETASE)
External Id: 2147-01_Inhibitor_SinglePoint_HTS_Activity
Name: Bursicon-induced LGR2 mediated cAMP production in LGR-2/CRE6x-Luciferase co-transfect...
Source: Broad Institute
Target: N/A
External Id: Bursicon-induced LGR2 mediated cAMP production in LGR-2/CRE6x-Luciferase co-transfected HEK293 cells Inhibition - 7011-01_Antagonist_SinglePoint_HTS_Activity
Name: Fluorescence-based cell-based primary high throughput screening assay to identify pos...
Source: The Scripps Research Institute Molecular Screening Center
Target: muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id: CHRM1_PAM_FLUO8_1536_1X%ACT PRUN
Name: Fluorescence polarization-based biochemical high throughput primary assay to identify...
Source: The Scripps Research Institute Molecular Screening Center
Target: RecName: Full=Sialate O-acetylesterase; AltName: Full=H-Lse; AltName: Full=Sialic acid-specific 9-O-acetylesterase; Flags: Precursor [Homo sapiens]
External Id: SIAE_INH_FP_1536_1X%INH PRUN
Name: uHTS identification of small molecule modulators of NR3A
Source: Burnham Center for Chemical Genomics
Target: N/A
External Id: SBCCG-A1015-NR3A-Primary-Assay
Name: uHTS identification of small molecule modulators of Rev-erb Alpha.
Source: Burnham Center for Chemical Genomics
Target: N/A
External Id: SBCCG-A1016-RevErbaLBD-Primary-Assay
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 Synonyms

(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
l-Kinic acid
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