Theogallin | CAS No. 17365-11-6

Theogallin

Basic Information

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CAS Number

17365-11-6

Molecular Formula

C14H16O10

Molecular Weight

344.27 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

Powder

Solubility

N/A

SMILES

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

InChI

InChI=1S/C14H16O10/c15-6-1-5(2-7(16)10(6)18)12(20)24-9-4-14(23,13(21)22)3-8(17)11(9)19/h1-2,8-9,11,15-19,23H,3-4H2,(H,21,22)/t8-,9-,11-,14+/m1/s1

InChIKey

LDPLFHGGZNSKDS-FTBFGRRBSA-N

LogP

-1.3398999999999999

Topological Polar Surface Area

184.98 Å²

Hydrogen Bond Donor/Acceptor

7 / 10

Complexity

484

Safety Information

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Storage Conditions

2-8℃

Synonyms & References

English

3-Galloylquinic acid
(1S,3R,4R,5R)-1,3,4-trihydroxy-5-(3,4,5-trihydroxybenzoyl)oxycyclohexane-1-carboxylic acid
THEOGALLIN
5-Galloylquinic acid
3,4,5-Trihydroxybenzoic acid (1R)-5β-carboxy-2α,3α,5α-trihydroxycyclohexyl ester
(3R,5R)-1α,4α,5α-Trihydroxy-3β-[(3,4,5-trihydroxybenzoyl)oxy]cyclohexanecarboxylic acid
(1S,3R,4R,5R)-1,3,4-Trihydroxy-5-[(3,4,5-trihydroxybenzoyl)oxy]cyclohexanecarboxylic acid
Theogallin
Quinic acid, 3-gallate
SCHEMBL21176646
DA-49597
Benzoic acid, 3,4,5-trihydroxy-, (1R,2R,3R,5S)-5-carboxy-2,3,5-trihydroxycyclohexyl ester
CHEMBL3233512
AKOS040740246
MS-25271
17365-11-6
Benzoic acid, 3,4,5-trihydroxy-, 5-carboxy-2,3,5-trihydroxycyclohexyl ester, (1R-(1alpha,2beta,3beta,5beta))-
CS-0090456
(1S,3R,4R,5R)-1,3,4-trihydroxy-5-(3,4,5-trihydroxybenzoyl)oxy-cyclohexanecarboxylic acid
BENZOIC ACID, 3,4,5-TRIHYDROXY-, 5-CARBOXY-2,3,5-TRIHYDROXYCYCLOHEXYL ESTER, (1R-(1.ALPHA.,2.BETA.,3.BETA.,5.BETA.))-
N8GTS57R32
Gallotannin 20
Q5931666
UNII-N8GTS57R32
3-Galloyl quinate
3-O-Galloylquinic acid
(1S,3R,4R,5R)-1,3,4-Trihydroxy-5-(3,4,5-trihydroxyphenylcarbonyloxy)cyclohexanecarboxylic acid
DTXSID60332031
HY-122924
(1S,3R,4R,5R)-1,3,4-trihydroxy-5-(3,4,5-trihydroxybenzoyloxy)cyclohexanecarboxylic acid
CHEBI:9522

FAQ

What regulatory guidelines apply to Theogallin (CAS: 17365-11-6)?

Theogallin (CAS: 17365-11-6) is subject to various regulatory guidelines including the Globally Harmonized System of Classification and Labelling of Chemicals (GHS), REACH regulations in the European Union, and FDA/EPA requirements for chemical substances used in food and environmental applications. Manufacturers and suppliers must ensure compliance with these regulations for handling, storage, and disposal.

Are there alternatives to Theogallin (CAS: 17365-1 related to synthesis)?

In synthesis, alternatives to Theogallin (CAS: 17365-11-6) include other polyphenols such as gallotannins, ellagic acid, and other flavonoids, which can serve similar functions in certain applications. These alternatives may offer varying degrees of efficacy and cost-effectiveness, depending on the specific use case.

What is the market or research trend for Theogallin (CAS: 17365-11-6)?

The market for Theogallin (CAS: 17365-11-6) is growing due to its antioxidant and anti-inflammatory properties. Research trends focus on its potential applications in food supplements, pharmaceuticals, and cosmetics. Demand is also driven by increasing consumer awareness of natural health products and the need for safe, effective natural ingredients.

How should waste containing Theogallin (CAS: 17365-11-6) be handled?

Waste containing Theogallin (CAS: 17365-11-6) should be collected in appropriate containers, sealed, and stored in a well-ventilated area away from sources of heat and ignition. For disposal, it is recommended to use professional waste disposal services that are compliant with local environmental regulations. Proper incineration or chemical treatment methods should be employed to ensure safe and environmentally friendly disposal.