Ethyl 3-Methoxypropionate - ≥99% , CAS No.10606-42-5

CAS: 10606-42-5 Cat. No.: E156127 Summenformel: C₆H₁₂O₃ Molekulargewicht: 132.16 EG-Nummer: 672-631-5

GRADE & PURITY ≥99%

Synonyms

AKOS009159236 | ethyl3-methoxypropionate | Propionic acid, 3-methoxy-, ethyl ester | 3-methoxy-propanoic acid ethyl ester | EN300-7202991 | FT-0729119 | BRN 1748684 | AS-81394 | D91424 | SCHEMBL107227 | IJUHLFUALMUWOM-UHFFFAOYSA-N | AI3-03239 | DTXSID8073

Storage

Store at 2-8°C,Desiccated

Shipped In

Wet ice

Specifications

Synonyme

AKOS009159236 | ethyl3-methoxypropionate | Propionic acid, 3-methoxy-, ethyl ester | 3-methoxy-propanoic acid ethyl ester | EN300-7202991 | FT-0729119 | BRN 1748684 | AS-81394 | D91424 | SCHEMBL107227 | IJUHLFUALMUWOM-UHFFFAOYSA-N | AI3-03239 | DTXSID8073

Spezifikationen & Reinheit

≥99%

Storage

Store at 2-8°C,Desiccated

Verschickt in

Wet ice

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

Reinheit

≥99%

Namen und Kennungen

• Kanonisches Lächeln: CCOC(=O)CCOC
• IUPAC Name: ethyl 3-methoxypropanoate
• InChIKey: IJUHLFUALMUWOM-UHFFFAOYSA-N
• INCHI: 1S/C6H12O3/c1-3-9-6(7)4-5-8-2/h3-5H2,1-2H3
• Isomere SMILES: CCOC(=O)CCOC
• RTECS: UF5273000
• Molekulargewicht: 132.16
• Reaxy-Rn: 1748684
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1748684&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Klasse Carboxylic acids and derivatives
      • Subclass Carboxylic acid derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Klasse: Carboxylic acids and derivatives
• Subclass: Carboxylic acid derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Carboxylic acid esters
• Alternative Parents: Monocarboxylic acids and derivatives Dialkyl ethers Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Carboxylic acid ester - Monocarboxylic acid or derivatives - Ether - Dialkyl ether - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as carboxylic acid esters. These are carboxylic acid derivatives in which the carbon atom from the carbonyl group is attached to an alkyl or an aryl moiety through an oxygen atom (forming an ester 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

• Flammpunkt (°C): 53 °C
• Siedepunkt (°C): 158°C(lit.)
• Molekulargewicht: 132.160 g/mol
• XLogP3: 0.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 132.079 Da
• Monoisotopic Mass: 132.079 Da
• Topological Polar Surface Area: 35.500 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 80.400
• 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