Ethyl 6-oxohexanoate - ≥95% , CAS No.27983-42-2

CAS: 27983-42-2 Cat. No.: E588544 Summenformel: C₈H₁₄O₃ Molekulargewicht: 158.19

GRADE & PURITY ≥95%

Synonyms

ethyl6-oxohexanoate | DTXSID30457523 | 6-oxohexanoic acid ethyl ester | 6-oxo-hexanoic acid ethyl ester | AM85368 | Hexanoic acid, 6-oxo-, ethyl ester | Ethyl 5-formylpentanoate | MFCD17170722 | FT-0696257 | SCHEMBL1306604 | N10652 | ethyl 6-oxohexanoate

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

Synonyme

ethyl6-oxohexanoate | DTXSID30457523 | 6-oxohexanoic acid ethyl ester | 6-oxo-hexanoic acid ethyl ester | AM85368 | Hexanoic acid, 6-oxo-, ethyl ester | Ethyl 5-formylpentanoate | MFCD17170722 | FT-0696257 | SCHEMBL1306604 | N10652 | ethyl 6-oxohexanoate

Spezifikationen & Reinheit

≥95%

Storage

Store at -20°C,Argon charged

Verschickt in

Ice chest + Ice pads

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

Reinheit

≥95%

Namen und Kennungen

Pubchem Sid

508810091

Kanonisches Lächeln

CCOC(=O)CCCCC=O

IUPAC Name

ethyl 6-oxohexanoate

InChIKey

UWNBKRSENSOXKX-UHFFFAOYSA-N

INCHI

1S/C8H14O3/c1-2-11-8(10)6-4-3-5-7-9/h7H,2-6H2,1H3

Isomere SMILES

CCOC(=O)CCCCC=O

Molekulargewicht

158.19

Reaxy-Rn

1759848

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1759848&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Klasse Fatty Acyls
      • Subclass Fatty acid esters

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Klasse: Fatty Acyls
• Subclass: Fatty acid esters
• Intermediate Tree Nodes: Not available
• Direct Parent: Fatty acid esters
• Alternative Parents: Medium-chain aldehydes Alpha-hydrogen aldehydes Carboxylic acid esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Medium-chain aldehyde - Fatty acid ester - Alpha-hydrogen aldehyde - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aldehyde - Aliphatic acyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as fatty acid esters. These are carboxylic ester derivatives of a fatty acid.
• 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

• Molekulargewicht: 158.190 g/mol
• XLogP3: 0.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 7
• Exact Mass: 158.094 Da
• Monoisotopic Mass: 158.094 Da
• Topological Polar Surface Area: 43.400 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 121.000
• 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