CAS Number77-95-2
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
Molecular FormulaC7H12O6
Molecular Weight192.17
Purity98%
Density1.8±0.1 g/cm3
Boiling Point438.4±45.0 °C at 760 mmHg
Melting Point165-170 °C
Appearancepowder
EINECS201-072-8
Symbol
Signal WordWarning
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 77-95-2 |
| Catalog No. | 2A-9017194 |
| Chinese Name | D-(-)-奎宁酸 |
| 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 |
| Molecular Formula | C7H12O6 |
| Molecular Weight | 192.17 |
| Purity | 98 |
| Density | 1.8±0.1 g/cm3 |
| Boiling Point | 438.4±45.0 °C at 760 mmHg |
| Melting Point | 165-170 °C |
| Appearance | powder |
| Water Solubility | 400 g/l (20 ºC) |
| Storage Condition | Room Temperature |
| Application | D-(-)-Quinic acid is a cyclohexylcarboxylic acid, which is related to the acidity of coffee. |
| EINECS | 201-072-8 |
| HTC | 29181980 |
| PubChem ID | 24848361 |
| MDL Number | MFCD00003864 |
| SMILES | O[C@@H]1C[C@@](O)(C[C@@H](O)[C@H]1O)C(O)=O |
| InChI | 1S/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 |
| InChI Key | AAWZDTNXLSGCEK-WYWMIBKRSA-N |
| Beilstein/REAXYS | 2212412 |
| NACRES Code | NA.22 |
| UNSPSC | 51113400 |
| Hazard Symbols | Transport |
| MSDS | msds/17194_1_77_95_2.pdf |
| Bioactivity | 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 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) |
| Use of | D-(-)-Quinic acid is a cyclohexanecarboxylic acid and is implicated in the perceived acidity of coffee. Properties Articles67 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 Signaling Pathways >> Others >> Others Natural Products >> Acids and Aldehydes Research Areas >> Others Chemical & Physical Properties Molecular Formula C7H12O6 Exact Mass 192.063385 PSA 118.22000 LogP -2.01 Index of Refraction 1.687 InChIKey AAWZDTNXLSGCEK-LNVDRNJUSA-N SMILES O=C(O)C1(O)CC(O)C(O)C(O)C1 |
| Transport Info | Shipping Name: UN |
| MSDS Transport Info | Module 14. Shipping information 14.1 UN dangerous goods number European Land Transport Danger Regulations: - International Maritime Transport Danger Regulations: - 14.2 United Nations shipping name European Land Transport Dangerous Regulations: Non-dangerous goods IMDG Code: Non-dangerous goods International air transport dangerous goods regulations: non-dangerous goods 14.3 Transport hazard categories European Land Transport Danger Regulations: - International Maritime Transport Danger Regulations: - 14.4 Package group European Land Transport Danger Regulations: - International Maritime Transport Danger Regulations: - 14.5 Environmental hazards European Land Transport Danger Regulations: No International Maritime Transport Danger Regulations Marine pollutants (yes/no): No 14.6 Special reminder to users No data available |
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| 1,1,1-Tris(hydroxymethyl)ethane | 77-85-0 | 2A-9017186 |
| Triethyl acetyl citrate | 77-89-4 | 2A-9017188 |
| Choline dihydrogencitrate salt | 77-91-8 | 2A-9017190 |
| Citric acid | 77-92-9 | 2A-0201848 |
| Triethyl citrate | 77-93-0 | 2A-9017192 |
| Dibutyltin maleate | 78-04-6 | 2A-9017197 |
| Ethyltriethoxysilane | 78-07-9 | 2A-9017198 |
| 2-Methyl-2-propyl-1,3-propanediol | 78-26-2 | 2A-9017204 |
| 1-Ethynyl-1-cyclohexanol | 78-27-3 | 2A-9017205 |
| Linalyl isobutyrate | 78-35-3 | 2A-9017206 |
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