Cryptochlorogenic acid

Basic Information

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CAS Number

905-99-7

Molecular Formula

C16H18O9

Molecular Weight

354.31 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Physical State

White powder

Boiling Point

344.3℃ at 760 mmHg

Density

1.65

Solubility

Methanol; Ethanol; Acetone

SMILES

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C1C(C(C(CC1(C(=O)O)O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)O

InChI

InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(21)25-14-11(19)6-16(24,15(22)23)7-12(14)20/h1-5,11-12,14,17-20,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1

InChIKey

GYFFKZTYYAFCTR-JUHZACGLSA-N

LogP

-0.6459000000000004

Topological Polar Surface Area

164.75 Å²

Hydrogen Bond Donor/Acceptor

6 / 9

Complexity

520

Safety Information

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Storage Conditions

-20℃

Synonyms & References

English

Cryptochlorogenic acid
4-Caffeoylquinic acid
Quinic acid 4-O-caffeate
3,4-Dihydroxycinnamic acid 4-carboxy-2,4,6-trihydroxycyclohexyl ester
(3R,5R)-4-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,3,5-trihydroxycyclohexane-1-carboxylic acid
4-O-Caffeoylquinic Acid
Cryptochlorogenin Acid
Cyclohexanecarboxylicacid, 4-[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-1,3,5-trihydroxy-,(1a,3R,4a,5R)-
4-O-(3,4-Dihydroxycinnamoyl)-D-quinic acid
4-O-trans-caffeoylquinic acid
F23DJ84IZ9
4-(3,4-Dihydroxycinnamoyl)quinic acid
Cryptochlorogenic-acid
4-o-Caffeoyl quinic acid
4-Cqa
Quinic acid, 4-caffeoyl-
4-O-(E)-caffeoylquinic acid
Cinnamic acid, 3,4-dihydroxy-, 4-carboxy-2,4,6-trihydroxycyclohexyl ester
Quinic acid, 4-caf
(1α,3R,4α,5R)-4-[[3-(3,4-Dihydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-1,3,5-trihydroxycyclohexanecarboxylic acid (ACI)
Cinnamic acid, 3,4-dihydroxy-, 4-carboxy-2,4,6-trihydroxycyclohexyl ester (8CI)
Cyclohexanecarboxylic acid, 4-[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,3,5-trihydroxy-, (1α,3R,4α,5R)- (9CI)
Cyclohexanecarboxylic acid, 4-[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,3,5-trihydroxy-, [1R-(1α,3α,4α,5β)]- (ZCI)
4-O-Caffeoylquinic acid
4-O-Caffeoylquinic acid,Quinic acid 4-O-caffeate,4-Caffeoylquinic acid
PD118874
Cyclohexanecarboxylic acid, 4-((3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl)oxy)-1,3,5-trihydroxy-, (1alpha,3R,4alpha,5R)-
(1alpha,3R,4alpha,5R)-4-[[3-(3,4-Dihydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-1,3,5-trihydroxycyclohexanecarboxylic acid
MFCD10566638
4-O-Caffeoylquinic acid, >=98.0%
BS-17821

MDL Number

MFCD10566638

Customs Code

2918990090

FAQ

What is Cryptochlorogenic acid (CAS: 905-99-7)?

Cryptochlorogenic acid is a naturally occurring hydroxycinnamic acid derivative found in various plants. Its chemical formula is C16H18O9, and it is known for its antioxidant and anti-inflammatory properties. It is a yellowish solid with a molecular weight of 354.31 g/mol and is commonly used in research and food-related applications.

What are the main uses of Cryptochlorogenic acid (CAS: 905-99-7)?

Cryptochlorogenic acid is primarily used in pharmaceuticals for its potential health benefits, including cardiovascular support and immune modulation. It is also found in food products like coffee and green tea, contributing to their flavor and antioxidant content. In research, it is studied for its bioactive properties and role in plant metabolism.

Is Cryptochlorogenic acid (CAS: 905-99-7) safe?

Cryptochlorogenic acid is generally considered safe when used in appropriate amounts. It has low toxicity and is well-tolerated in most cases. However, as with any chemical, proper handling and safety precautions should be followed, especially during industrial or laboratory use. Safety standards ensure its safe application in food and pharmaceutical products.

How should Cryptochlorogenic acid (CAS: 905-99-7) be stored?

Cryptochlorogenic acid should be stored in a cool, dry, and dark place to maintain its stability and prevent degradation. It is typically kept in airtight containers to protect from moisture and light exposure. Storage at temperatures below 25°C and humidity levels below 60% is recommended to ensure product integrity.