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Catechin | 154-23-4

Product name:Catechin

CAS No:154-23-4
MF:C15H14O6
MW:290.2681
MDL:MFCD00075649
CID:36622
PubChem ID:329749249
Introduction
    Catechin, also known as catechin acid / catechin, is a kind of phenolic active substances extracted from natural plants such as tea. Catechin has a variety of pharmacological effects, such as anti-tumor \ antioxidant \ anti-bacterial and protecting heart and brain organs. These pharmacological activities are mainly determined by its polyhydroxy structure. However, the polyhydroxy structure also makes the structure of catechin unstable under neutral and alkaline conditions
Names and Identifiers
  • (+)-catechin
  • (2R,3S)-2-(3,4-Dihydroxyphenyl)chroman-3,5,7-triol
  • CATECHIN
  • CATECHIN, (+)-
  • D-CATECHIN
  • (+)-3,3'4',5,7-FLAVANEPENTOL
  • 3,3',4',5,7-PENTAHYDROXYFLAVANE
  • [2R,3S]-2-[3,4-DIHYDROXYPHENYL]-3,4-DIHYDRO-1[2H]-BENZOPYRAN-3,4,7-TRIOL
  • 2-(3,4-dihydroxyphenyl)-3,4-dihydro-(2r-trans)-2h-1-benzopyran-7-triol
  • Cianidanol
  • (+)-Catechin Hydrate
  • 3,3',4',5,7-FLAVANPENTOL
  • CATECHIN, (+)-(P) (AHP Verified) (REQUEST QUOTE)
  • CATECHIN, (+)-(P) (AHP Verified) (REQUEST QUOTE) PrintBack
  • (+)-3,3,4,5,7-Flavanpentol
  • (+)-3,3',4',5,7-Flavanpentol Hydrate
  • 3-Cyanidanol, (+)-
  • Catechuic acid
  • Cyanidanol
  • Catechin(C)
  • (+)-Cyanidanol
  • (2R,3S)-2-(3,4-Dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol
  • kb-53
  • catergen
  • (2R,3S)-
  • d-catechol
  • Drenoliver
  • [ "" ]
  • (-)-Epicatechin
  • Epicatechin
  • L-Epicatechin
  • (-)-Epicatechol
  • l-Acacatechin
  • (-)epicatechin
  • (2R,3R)-2-(3,4-Dihydroxyphenyl)chroman-3,5,7-triol
  • Epicatechol
  • l-Epicatechol
  • epi-Catechin
  • (2R,3R)-(-)-Epicatechin
  • epi-Catechol
  • Epicatechol, (-)-
  • 34PHS7TU43
  • PFTAWBLQPZVEMU-UKRRQHHQSA-N
  • (2R,3R)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol
  • (-)-(2R:3R)-5,7,3',4'-Tetrahydroxyflavan-3-ol
  • (-)-cis-Epicatechin
  • C15H14O6
  • 2-(3,4-Dihydro
  • (+)-Catechin
  • D-Catechin
  • cianidanol
  • Catechin(C)
  • Catechin
  • MDL:MFCD00075649
  • InChIKey:PFTAWBLQPZVEMU-UKRRQHHQSA-N
  • Inchi:1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15-/m1/s1
  • SMILES:O1C2=C([H])C(=C([H])C(=C2C([H])([H])[C@]([H])([C@@]1([H])C1C([H])=C([H])C(=C(C=1[H])O[H])O[H])O[H])O[H])O[H]
Chemical and Physical Properties

Computed Properties

  • Exact Mass: 290.27g/mol
  • Surface Charge: 0
  • XLogP3: 0.4
  • Hydrogen Bond Donor Count: 5
  • Hydrogen Bond Acceptor Count: 6
  • Rotatable Bond Count: 1
  • Monoisotopic Mass: 290.079038g/mol
  • Monoisotopic Mass: 290.079038g/mol
  • Topological Polar Surface Area: 110Ų
  • Heavy Atom Count: 21
  • Complexity: 364
  • Isotope Atom Count: 0
  • Defined Atom Stereocenter Count: 2
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Covalently-Bonded Unit Count: 1
  • Topological Polar Surface Area: 110
  • Functional 3D Acceptor Count: 2
  • Rotatable Bond Count: 1.8
  • isomeric RMSD: 0.6
  • CID conformational isomer Count: 12
  • Functional 3D Donor Count: 5
  • Tautomer Count: 90
  • Functional 3D ring Count: 3
  • Surface Charge: 0

Experimental Properties

  • LogP: 1.54610
  • PSA: 110.38000
  • Merck: 14,1902
  • Refractive Index: 1.4359 (estimate)
  • Boiling Point: 630.4℃ at 760 mmHg
  • Flash Point: 334.3
  • Solubility: 6.311e+004 mg/L @ 25 °C (est)
  • Color/Form: White to yellow powder or irregular crystals
  • Solubility: Slightly soluble in cold water and ether, soluble in hot water, ethanol, glacial acetic acid and acetone, insoluble in benzene, chloroform and petroleum ether
  • Specific Rotation: D18 +16 to +18.4°
  • Density: 1.2451 (rough estimate)
  • Vapor Pressure: 9.29E-17mmHg at 25°C
Security Information
  • RTECS:DJ3450000
  • WGK Germany:3
  • Safety Instruction:S26; S36
  • Risk Phrases:R36/37/38
  • שלט טובין מסוכן: Xi Xi
  • Hazardous Material transportation number:NONH for all modes of transport
  • Storage Condition:Powder -20°C 3 years   4°C 2 years In solvent -80°C 6 months   -20°C 1 month
  • Hazard Category Code:R36/37/38: irritating to eyes, respiratory tract and skin
  • FLUKA BRAND F CODES:8-10-23
Customs Data
  • HS CODE:29329990
  • Customs Data:

    China Customs Code:

    2932999099

    Overview:

    2932999099. Other heterocyclic compounds containing only oxygen heteroatoms. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2932999099. other heterocyclic compounds with oxygen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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