2'-Hydroxy-4',5'-dimethoxyacetophenone - ≥98% , CAS No.20628-06-2

CAS: 20628-06-2 Cat. No.: H156893 Summenformel: C₁₀H₁₂O₄ Molekulargewicht: 196.20 Beilstein Registry Number: 8(4)2726 EG-Nummer: 626-316-4

QUALITÄT & REINHEIT ≥98%

Synonyms

1-(2-Hydroxy-4,5-dimethoxyphenyl)ethan-1-one | 1-(2-hydroxy-4,5-dimethoxyphenyl)ethanone | 1-(2-hydroxy-4,5-dimethoxy-phenyl)ethanone | 1-(2-Hydroxy-4,5-dimethoxy-phenyl)-ethanone | T72056 | A814755 | AKOS001745587 | J-013478 | InChI=1/C10H12O4/c1-6(11)7-

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Spezifikationen

Synonyme

1-(2-Hydroxy-4,5-dimethoxyphenyl)ethan-1-one | 1-(2-hydroxy-4,5-dimethoxyphenyl)ethanone | 1-(2-hydroxy-4,5-dimethoxy-phenyl)ethanone | 1-(2-Hydroxy-4,5-dimethoxy-phenyl)-ethanone | T72056 | A814755 | AKOS001745587 | J-013478 | InChI=1/C10H12O4/c1-6(11)7-

Spezifikationen & Reinheit

≥98%

Storage

Store at 2-8°C,Protected from light,Argon charged

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥98%

Namen und Kennungen

Kanonisches Lächeln

CC(=O)C1=CC(=C(C=C1O)OC)OC

IUPAC Name

1-(2-hydroxy-4,5-dimethoxyphenyl)ethanone

InChIKey

KEQHBVWVKYHDCS-UHFFFAOYSA-N

INCHI

1S/C10H12O4/c1-6(11)7-4-9(13-2)10(14-3)5-8(7)12/h4-5,12H,1-3H3

Isomere SMILES

CC(=O)C1=CC(=C(C=C1O)OC)OC

WGK Deutschland

3

Molekulargewicht

196.20

Beilstein

8(4)2726

Reaxy-Rn

1344236

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1344236&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Klasse Organooxygen compounds
      • Subclass Carbonyl compounds
        • Ebene5 Ketones
          • Ebene6 Aryl ketones
            • Ebene7 Phenylketones
              • Ebene8 Alkyl-phenylketones

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Klasse: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Ketones - Aryl ketones - Phenylketones
• Direct Parent: Alkyl-phenylketones
• Alternative Parents: Methoxyphenols Dimethoxybenzenes Acetophenones 4-alkoxyphenols Phenoxy compounds Benzoyl derivatives Aryl alkyl ketones Anisoles Alkyl aryl ethers 1-hydroxy-2-unsubstituted benzenoids Vinylogous acids Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Alkyl-phenylketone - Methoxyphenol - Dimethoxybenzene - O-dimethoxybenzene - Acetophenone - 4-alkoxyphenol - Phenoxy compound - Anisole - Benzoyl - Phenol ether - Aryl alkyl ketone - Methoxybenzene - Phenol - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Benzenoid - Monocyclic benzene moiety - Vinylogous acid - Ether - Organic oxide - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Zugehörige Ziele (menschlich)

HTT Tchem Huntingtin (19182 Activities)

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Zugehörige Ziele (nicht menschlich)

Pseudomonas aeruginosa (123386 Activities)

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Acinetobacter baumannii (41033 Activities)

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Plasmodium falciparum (966862 Activities)

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Mus musculus (284745 Activities)

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Impa1 Inositol monophosphatase 1 (16203 Activities)

Discover Target: Impa1

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Schmelzpunkt (°C): 110-114℃
• Molekulargewicht: 196.200 g/mol
• XLogP3: 1.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 196.074 Da
• Monoisotopic Mass: 196.074 Da
• Topological Polar Surface Area: 55.800 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 204.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Häufig gestellte Fragen

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C, protected from light, under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 20628-06-2, the molecular formula is C10H12O4, and the molecular weight is 196.20 g/mol. InChIKey KEQHBVWVKYHDCS-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.