Ethyl (3-methoxybenzoyl)acetate - ≥98% , CAS No.27834-99-7

CAS: 27834-99-7 Cat. No.: E488532 Summenformel: C₁₂H₁₄O₄ Molekulargewicht: 222.24 EG-Nummer: 673-420-0

GRADE & PURITY ≥98%

Synonyms

A819209 | AKOS000265666 | AB2846 | ethyl 3-(3-methoxyphenyl)-3-oxidanylidene-propanoate | SCHEMBL382162 | SY052528 | Z362636656 | 3-(3-Methoxy-phenyl)-3-oxo-propionic acid ethyl ester | 3-(3-Methoxyphenyl)-3-oxopropionic Acid Ethyl Ester | 3-(3-Methoxyphe

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyme

A819209 | AKOS000265666 | AB2846 | ethyl 3-(3-methoxyphenyl)-3-oxidanylidene-propanoate | SCHEMBL382162 | SY052528 | Z362636656 | 3-(3-Methoxy-phenyl)-3-oxo-propionic acid ethyl ester | 3-(3-Methoxyphenyl)-3-oxopropionic Acid Ethyl Ester | 3-(3-Methoxyphe

Spezifikationen & Reinheit

≥98%

Storage

Store at 2-8°C,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: CCOC(=O)CC(=O)C1=CC(=CC=C1)OC
• IUPAC Name: ethyl 3-(3-methoxyphenyl)-3-oxopropanoate
• InChIKey: FDPPVAYPZOORBP-UHFFFAOYSA-N
• INCHI: 1S/C12H14O4/c1-3-16-12(14)8-11(13)9-5-4-6-10(7-9)15-2/h4-7H,3,8H2,1-2H3
• Isomere SMILES: CCOC(=O)CC(=O)C1=CC(=CC=C1)OC
• Molekulargewicht: 222.24
• Reaxy-Rn: 979515
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=979515&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: Phenoxy compounds Methoxybenzenes Benzoyl derivatives Aryl alkyl ketones Anisoles Fatty acid esters Beta-keto acids and derivatives Alkyl aryl ethers 1,3-dicarbonyl compounds Carboxylic acid esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Alkyl-phenylketone - Phenoxy compound - Anisole - Methoxybenzene - Benzoyl - Aryl alkyl ketone - Phenol ether - Alkyl aryl ether - Beta-keto acid - Fatty acid ester - Monocyclic benzene moiety - Fatty acyl - Benzenoid - 1,3-dicarbonyl compound - Keto acid - Carboxylic acid ester - Carboxylic acid derivative - Ether - Monocarboxylic acid or derivatives - 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

Chemische und physikalische Eigenschaften

• Brechungsindex: 1.536
• Flammpunkt (°C): 132 °C
• Siedepunkt (°C): >268 °C
• Molekulargewicht: 222.240 g/mol
• XLogP3: 1.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 222.089 Da
• Monoisotopic Mass: 222.089 Da
• Topological Polar Surface Area: 52.600 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 249.000
• 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 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 27834-99-7, the molecular formula is C12H14O4, and the molecular weight is 222.24 g/mol. InChIKey FDPPVAYPZOORBP-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.