2'-Acetoxyacetophenone - ≥98%(GC) , CAS No.7250-94-4

CAS: 7250-94-4 Cat. No.: A151753 Fórmula: C₁₀H₁₀O₃ Peso molecular: 178.19 Beilstein Registry Number: 8(4)322 Número CE: 633-332-5

GRADE & PURITY ≥98%(GC)

Synonyms

2-Acetylphenyl acetate | 2T9WEX4AYN | AI3-10570 | (2-acetylphenyl) acetate | 2 inverted exclamation marka-Acetoxyacetophenone | o-acetoxyacetophenone | Z28255481 | CDS1_000365 | 1-[2-(Acetyloxy)phenyl]ethanone | acetic acid 2-acetyl-phenyl ester | DivK1c_

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

2-Acetylphenyl acetate | 2T9WEX4AYN | AI3-10570 | (2-acetylphenyl) acetate | 2 inverted exclamation marka-Acetoxyacetophenone | o-acetoxyacetophenone | Z28255481 | CDS1_000365 | 1-[2-(Acetyloxy)phenyl]ethanone | acetic acid 2-acetyl-phenyl ester | DivK1c_

Especificações e pureza

≥98%(GC)

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥98%(GC)

Nomes e identificadores

Pubchem Sid

488182284

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488182284

Sorrisos canónicos

CC(=O)C1=CC=CC=C1OC(=O)C

IUPAC Name

(2-acetylphenyl) acetate

InChIKey

WWEDAIJJBDFOOK-UHFFFAOYSA-N

INCHI

1S/C10H10O3/c1-7(11)9-5-3-4-6-10(9)13-8(2)12/h3-6H,1-2H3

SMILES isoméricas

CC(=O)C1=CC=CC=C1OC(=O)C

Peso molecular

178.19

Beilstein

8(4)322

Reaxy-Rn

1948938

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1948938&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Classe Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 Ketones
          • Level6 Aryl ketones
            • Level7 Phenylketones
              • Level8 Alkyl-phenylketones

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Ketones - Aryl ketones - Phenylketones
• Direct Parent: Alkyl-phenylketones
• Alternative Parents: Phenol esters Acetophenones Phenoxy compounds Benzoyl derivatives Aryl alkyl ketones Carboxylic acid esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Alkyl-phenylketone - Phenol ester - Acetophenone - Phenoxy compound - Aryl alkyl ketone - Benzoyl - Benzenoid - Monocyclic benzene moiety - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxide - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Descrição: 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

Propriedades químicas e físicas

• Ponto de ebulição (°C): 118 °C/25 mmHg
• Ponto de fusão (°C): 90 °C
• Peso molecular: 178.180 g/mol
• XLogP3: 0.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 178.063 Da
• Monoisotopic Mass: 178.063 Da
• Topological Polar Surface Area: 43.400 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 210.000
• 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

Perguntas frequentes

What is the purity of this product, and how is it determined?

This product is supplied at ≥98% purity, determined by gas chromatography (GC). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

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

The CAS Number is 7250-94-4, the molecular formula is C10H10O3, and the molecular weight is 178.19 g/mol. InChIKey WWEDAIJJBDFOOK-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.