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CYNARIN |
| Synonyms. Cynarin; Cynarine; Caffeic acid 1-carboxy-4,5-dihydroxy-1,3-cyclohexylene ester; (1R,3R,4S,5R)-1,3-Bis(3-(3,4-dihydroxyphenyl)acryloyloxy)-4,5-dihydroxycyclohexanecarboxylic acid; 1,3-Dicaffeoylquinic acid; 1,5-Dicaffeoylquinic acid; 2-Allyl-1,4-bis((3-(3,4-dihydroxyphenyl)-1-oxo)oxy) -3,5- dihydroxycyclohexanecarboxylic acid; Cinarin; Cinarine; Cynarine; Listrocol; Nivellipid; Phemocil; Plemocil; Quinic acid 1,5-dicaffeic ester; 1,3-Bis((3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl) oxy)- 4,5-dihydroxycyclohexanecarboxylic acid; 1,5-DQA; 1,3-Di-O-Caffeoylquinic acid; 1,5-Di-O-Caffeoylquinic acid; 1,5-DCQA; Listrocol; Plemocil; |
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| PRODUCT IDENTIFICATION | |
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CAS RN |
30964-13-7 |
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EINECS RN |
214-655-7 |
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FORMULA |
C25H24O12 |
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MOLE WEIGHT |
516.45 |
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H.S CODE |
2918.29.6500 |
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SMILES |
c1cc(c(cc1/C=C/C(=O)O[C@@H]2C[C@](C[C@H]([C@@H]2O)O)(C (=O)O) OC(=O)/C=C/c3ccc(c(c3)O)O)O)O |
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CLASSIFICATION |
Hydroxycinnamic acid, Choleretic |
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EXTRA NOTES |
Phenolic compound found in artichoke. Antioxidant and choleretic properties. Potential immunosuppressive agent. 1,3-Dicaffeoylquinic acid is a polyphenol compound found in foods of plant origin (PMID: 20428313). 1,3-Dicaffeoylquinic acid belongs to the family of Quinic Acids and Derivatives. These are compounds containing a quinic acid moiety (or a derivative thereof), whis is a cyclitol made up of a cyclohexane ring that bears four hydroxyl groups at positions 1,3.4, and 5, as well as a carboxylic acid at position 1. (HMDB) |
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| PHYSICAL AND CHEMICAL PROPERTIES | |
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PHYSICAL STATE. |
white to off-white |
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MELTING POINT |
228 ~ 231 C |
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BOILING POINT |
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DENSITY |
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SOLUBILITY IN WATER |
Sparingly soluble in cold water. Soluble in hot water |
| SOLVENT SOLUBILITY | Soluble in glacial acetic acid, alcohols |
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VAPOR DENSITY |
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log P(octanol-water) |
2.07 |
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VAPOR PRESSURE |
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AUTOIGNITION TEMP |
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| pK |
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REFRACTIVE INDEX |
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FLASH POINT |
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| STABILITY AND REACTIVITY | |
| STABILITY | Stable under normal conditions. |
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INCOMPATIBLE MATERIALS |
Strong oxidizing agents. |
| POLYMERIZATION |
Has not been reported |
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NFPA RATINGS |
Health: 1, Flammability: 0, Reactivity: 0 |
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| EXTERNAL LINKS & GENERAL DESCRIPTION |
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Wikipedia Linking - Cynarin Google Scholar Search - Cynarin Drug Information Portal (U.S. National Library of Medicine) - Cynarin PubChem Compound Summary - Cynarin KEGG (Kyoto Encyclopedia of Genes and Genomes) - Cynarin http://www.ebi.ac.uk/ - Cynarin http://www.ncbi.nlm.nih.gov/ - Cynarin |
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| SALES SPECIFICATION | |
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APPEARANCE |
white crystalline powder |
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ASSAY |
98.0% min |
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OPTICAL ROTATION |
-58.0° ~ 61.0° (c=2 in MeOH) |
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LOSS ON DRYING |
3.0% max |
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HEAVY METALS |
20ppm max |
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| TRANSPORT & REGULATORY INFORMATION | |
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UN NO. |
Not regulated |
| HAZARD CLASS |
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| PACKING GROUP | |
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| SAFETY INFORMATION |
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HAZARD OVERVIEW |
May cause eye and skin irritation. May cause respiratory and digestive tract irritation. Target Organs: Not known. |
| HAZARD CODES |
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RISK PHRASES |
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SAFETY PHRASES |
24/25 |
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| PACKING |
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Preserve in light-resistant and well-closed containers |