2-Acetylbenzoic acid - ≥98% , CAS No.577-56-0

CAS: 577-56-0 Cat. No.: A107226 Summenformel: C₉H₈O₃ Molekulargewicht: 164.16 Beilstein Registry Number: 1210557 EG-Nummer: 209-413-2

GRADE & PURITY ≥98%

Synonyms

2-Acetylbenzoic acid | 2-AcetYl-Benzoic Acid | 2-Acetylbenzoic acid, 99% | A1075 | FS-2418 | Q-101990 | 2- acetylbenzoic acid | EN300-25493 | 1-carboxy-2-methylcarbonylbenzene | DTXSID00206404 | Benzoic acid, 2-acetyl- | 2-Acetylbenzoicacid | CK2176 | 2-(

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Übersicht

Product Application：

2-Acetylbenzoic acid is used as a component of hair dyes. It is used as an intermediate for pharmaceutical, cosmetics, agrochemical and food industries.

Specifications

Synonyme

2-Acetylbenzoic acid | 2-AcetYl-Benzoic Acid | 2-Acetylbenzoic acid, 99% | A1075 | FS-2418 | Q-101990 | 2- acetylbenzoic acid | EN300-25493 | 1-carboxy-2-methylcarbonylbenzene | DTXSID00206404 | Benzoic acid, 2-acetyl- | 2-Acetylbenzoicacid | CK2176 | 2-(

Spezifikationen & Reinheit

≥98%

Storage

Store at -20°C

Verschickt in

Ice chest + Ice pads

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

Aktionsart

INHIBITOR

Reinheit

≥98%

Namen und Kennungen

• Pubchem Sid: 504754292
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504754292
• Kanonisches Lächeln: CC(=O)C1=CC=CC=C1C(=O)O
• IUPAC Name: 2-acetylbenzoic acid
• InChIKey: QDAWXRKTSATEOP-UHFFFAOYSA-N
• INCHI: 1S/C9H8O3/c1-6(10)7-4-2-3-5-8(7)9(11)12/h2-5H,1H3,(H,11,12)
• Isomere SMILES: CC(=O)C1=CC=CC=C1C(=O)O
• WGK Deutschland: 3
• Molekulargewicht: 164.16
• Beilstein: 1210557
• Reaxy-Rn: 1210557
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1210557&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: Benzoic acids Acetophenones Benzoyl derivatives Aryl alkyl ketones Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Alkyl-phenylketone - Benzoic acid - Benzoic acid or derivatives - Acetophenone - Aryl alkyl ketone - Benzoyl - Benzenoid - Monocyclic benzene moiety - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - 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)

K562 (73714 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Zugehörige Ziele (nicht menschlich)

L929 (3802 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

B16-F10 (4610 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Soluble in Dichloromethane and Ethyl Acetate. Slightly soluble in water.
• Schmelzpunkt (°C): 115-117°C
• Molekulargewicht: 164.160 g/mol
• XLogP3: 0.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 164.047 Da
• Monoisotopic Mass: 164.047 Da
• Topological Polar Surface Area: 54.400 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 198.000
• 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 ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. 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 577-56-0, the molecular formula is C9H8O3, and the molecular weight is 164.16 g/mol. InChIKey QDAWXRKTSATEOP-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.