Ethyl Phenoxyacetate - ≥98%(GC) , CAS No.2555-49-9

CAS: 2555-49-9 Cat. No.: E156512 Summenformel: C₁₀H₁₂O₃ Molekulargewicht: 180.2 EG-Nummer: 219-867-3

QUALITÄT & REINHEIT ≥98%(GC)

Synonyms

AS-57728 | EINECS 219-867-3 | J-016045 | J-521275 | FT-0626232 | CAA55549 | ETHYL PHENOXYACETATE | DTXSID3062520 | SCHEMBL377638 | Acetic acid, phenoxy-, ethyl ester | FT-0626233 | MGZFVSUXQXCEHM-UHFFFAOYSA-N | SY017862 | ethyl 2-phenoxyacetate | AKOS0050

Storage

Room temperature

Shipped In

Normal

Übersicht

Ethyl phenoxyacetate is an ester. It undergoes cyanide ion catalyzed aminolysis with ammonia to afford the corresponding amide.

Spezifikationen

Synonyme

AS-57728 | EINECS 219-867-3 | J-016045 | J-521275 | FT-0626232 | CAA55549 | ETHYL PHENOXYACETATE | DTXSID3062520 | SCHEMBL377638 | Acetic acid, phenoxy-, ethyl ester | FT-0626233 | MGZFVSUXQXCEHM-UHFFFAOYSA-N | SY017862 | ethyl 2-phenoxyacetate | AKOS0050

Spezifikationen & Reinheit

≥98%(GC)

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥98%(GC)

Namen und Kennungen

Pubchem Sid

504752827

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504752827

Kanonisches Lächeln

CCOC(=O)COC1=CC=CC=C1

IUPAC Name

ethyl 2-phenoxyacetate

InChIKey

MGZFVSUXQXCEHM-UHFFFAOYSA-N

INCHI

1S/C10H12O3/c1-2-12-10(11)8-13-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3

Isomere SMILES

CCOC(=O)COC1=CC=CC=C1

WGK Deutschland

3

Molekulargewicht

180.2

Reaxy-Rn

1871712

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1871712&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Benzene and substituted derivatives
      • Subclass Phenoxyacetic acid derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Phenoxyacetic acid derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenoxyacetic acid derivatives
• Alternative Parents: Phenoxy compounds Phenol ethers Alkyl aryl ethers Carboxylic acid esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenoxyacetate - Phenoxy compound - Phenol ether - Alkyl aryl ether - Carboxylic acid ester - Monocarboxylic acid or derivatives - Ether - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as phenoxyacetic acid derivatives. These are compounds containing an anisole where the methane group is linked to an acetic acid or a derivative.
• 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

• Flammpunkt (°F): >235.4 °F
• Flammpunkt (°C): >113 °C
• Siedepunkt (°C): 136 °C/19 mmHg
• Molekulargewicht: 180.200 g/mol
• XLogP3: 1.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 180.079 Da
• Monoisotopic Mass: 180.079 Da
• Topological Polar Surface Area: 35.500 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 150.000
• 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