Gallocatechin

Basic Information

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CAS Number

970-73-0

Molecular Formula

C15H14O7

Molecular Weight

306.27 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

Physical State

Powder

Melting Point

189-191°C

Solubility

1.545e+004 mg/L @ 25 °C (est)

SMILES

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C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C(=C3)O)O)O)O

InChI

InChI=1S/C15H14O7/c16-7-3-9(17)8-5-12(20)15(22-13(8)4-7)6-1-10(18)14(21)11(19)2-6/h1-4,12,15-21H,5H2/t12-,15+/m0/s1

InChIKey

XMOCLSLCDHWDHP-SWLSCSKDSA-N

LogP

1.2516999999999996

Topological Polar Surface Area

130.61 Å²

Hydrogen Bond Donor/Acceptor

6 / 7

Complexity

380

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

2H-1-Benzopyran-3,5,7-triol,3,4-dihydro-2-(3,4,5-trihydroxyphenyl)-, (2R,3S)-
(+)-GALLOCATECHIN
2H-1-Benzopyran-3,5,7-triol, 3,4-dihydro-2-(3,4,5-trihydroxyphenyl)-, (2R-trans-)
Penduletin
Gallocatechin
[ "" ]
Gallocatechol
(+)-gallocatechol
d-Gallocatechin
(2R,3S)-gallocatechin
HEJ6575V1X
(2R,3S)-2-(3,4,5-trihydroxyphenyl)chromane-3,5,7-triol
dl-Gallocatechin
(+-)-Gallocatechol
(+-)-Gallocatechin
Gallocatechol, (+-)-
Casuarin
C15H14O7
NSC674038
MEGxp0_000240
(2R,3S)-(+)-gallocatechin
BDBM50135165
LMPK12020002
(2R,3S)-3,4-Dihydro-2-(3,4,5-trihydroxyphenyl)-2H-1-benzopyran-3,5,7-triol (ACI)
2H-1-Benzopyran-3,5,7-triol, 3,4-dihydro-2-(3,4,5-trihydroxyphenyl)-, (2R-trans)- (ZCI)
Gallocatechol (8CI)
Gallocatechol, d- (6CI)
(+)-Gallocatechin
(+)-Gallocatechol
(2R,3S)-(+)-Gallocatechin
NSC 674038

MDL Number

MFCD06798946

FAQ

What are the physical and chemical properties of Gallocatechin (CAS: 970-73-0)?

Gallocatechin (CAS: 970-73-0) is a yellow to orange crystalline solid with a molecular weight of approximately 446.23 g/mol. It is soluble in ethanol and dimethyl sulfoxide, but less soluble in water. Gallocatechin is not highly reactive under normal conditions but can undergo oxidation in the presence of air and light. It has a melting point of around 250°C.

How is Gallocatechin (CAS: 970-73-0) typically synthesized?

Gallocatechin (CAS: 970-73-0) can be synthesized through chemical synthesis or extracted from natural sources. Common methods include the condensation of gallic acid with 1,3-digalloyl glucose, followed by an intramolecular cyclization. This process typically uses hydroxyapatite as a catalyst and has good selectivity and yield.

What industries use Gallocatechin (CAS: 970-73-0)?

Gallocatechin (CAS: 970-73-0) is used in various industries. It is particularly important in the pharmaceutical industry for its potential as an antioxidant and anti-inflammatory agent. It is also utilized in the production of functional foods and beverages due to its health benefits. Additionally, it has applications in the cosmetic industry and as a sensor material in analytical chemistry.

What precautions should be taken when handling Gallocatechin (CAS: 970-73-0)?

When handling Gallocatechin (CAS: 970-73-0), it is important to wear appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. Work in a well-ventilated area or a fume hood to minimize exposure. Spills should be cleaned up with caution, using a suitable absorbent material. Refer to the safety data sheet (SDS) for detailed handling and emergency procedures.