D-(-)-Quinic acid
D-(-)-Quinic acid structure
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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 acidD-(-)-Quinic acid is a cyclohexanecarboxylic acid and is implicated in the perceived acidity of coffee. |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | Quinic acid |
|---|---|
| Synonym | More Synonyms |
This table contains bioactivity, target information and biological‑assay experimental data of this compound.
| Description | D-(-)-Quinic acid is a cyclohexanecarboxylic acid and is implicated in the perceived acidity of coffee. |
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| Related Catalog |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| 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) |
This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.
This table summarizes toxicological test data, acute & chronic toxicity and ecological hazard parameters for this chemical.
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATAACUTE TOXICITY DATA
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This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| 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 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 5 | |
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| DownStream 10 | |
CAS#:1443678-33-8
CAS#:2280-44-6
CAS#:67-56-1
CAS#:138-59-0
CAS#:40983-58-2
CAS#:124-38-9
CAS#:111936-95-9
CAS#:7732-18-5
CAS#:350-29-8
CAS#:4442-54-0
CAS#:196618-13-0
CAS#:99-50-3
CAS#:65-85-0
CAS#:123-31-9This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 29181980 |
|---|
This table lists relevant public references with title, journal and publication metadata for this compound.
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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... |
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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... |
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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... |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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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
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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
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Name: ERK5 transcriptional activity HTS
Source: 24565
Target: N/A
External Id: ERK5 transcriptional activity-HTS
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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
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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
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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
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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
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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
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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
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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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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| (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 |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the SMILES notation of Quinic acid? |
| A: SMILES notation of Quinic acid is O=C(O)C1(O)CC(O)C(O)C(O)C1. |
| Q: What are the upstream materials of Quinic acid? |
| A: Related upstream materials(CAS) of Quinic acid: 1443678-33-8;2280-44-6;67-56-1;138-59-0;40983-58-2. |
| Q: What English synonyms does Quinic acid have? |
| A: English synonyms of Quinic acid: (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. |
| Q: What is the molecular weight of Quinic acid? |
| A: Molecular weight of Quinic acid is 192.167. |
| Q: What is the polar surface area (PSA) of Quinic acid? |
| A: Polar surface area (PSA) of Quinic acid is 118.22000. |
| Q: What are the uses of Quinic acid? |
| A: Main uses of Quinic acid: D-(-)-Quinic acid is a cyclohexanecarboxylic acid and is implicated in the perceived acidity of coffee. |
| Q: What are the downstream products of Quinic acid? |
| A: Related downstream products(CAS) of Quinic acid: 124-38-9;111936-95-9;7732-18-5;350-29-8;40983-58-2;4442-54-0;196618-13-0;99-50-3;65-85-0;123-31-9. |
| Q: What is the CAS number of Quinic acid? |
| A: CAS number of Quinic acid is 77-95-2. |
| Q: What is the InChIKey of Quinic acid? |
| A: InChIKey of Quinic acid is AAWZDTNXLSGCEK-LNVDRNJUSA-N. |
| Q: What is the molecular formula of Quinic acid? |
| A: Molecular formula of Quinic acid is C7H12O6. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |
| BioBioPha |
| Dayang Chem (Hangzhou) Co., Ltd. |
| Henan Tianfu Chemical Co., Ltd. |