6-eptenoato di etile - ≥97% , CAS No.25118-23-4

CAS: 25118-23-4 Cat. No.: E341720 Formula: C₉H₁₆O₂ Peso molecolare: 156.225 Numero EC: 627-883-0

GRADE & PURITY ≥97%

Synonyms

MFCD00671845 | FT-0742898 | DTXSID60339964 | SY284682 | D86379 | ethyl hept-6-enoate | AKOS015915298 | Hept-6-enoic acid ethyl ester | SCHEMBL515049 | Ethyl 6-heptenoate, 98% | J-015819 | 6-Heptenoic acid, ethyl ester | Ethyl 6-heptenoate

Storage

Room temperature

Shipped In

Normale

Specifications

Sinonimi

MFCD00671845 | FT-0742898 | DTXSID60339964 | SY284682 | D86379 | ethyl hept-6-enoate | AKOS015915298 | Hept-6-enoic acid ethyl ester | SCHEMBL515049 | Ethyl 6-heptenoate, 98% | J-015819 | 6-Heptenoic acid, ethyl ester | Ethyl 6-heptenoate

Specifiche e purezza

≥97%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normale

Purezza

≥97%

Nomi e identificatori

• Pubchem Sid: 488190297
• Sorrisi canonici: CCOC(=O)CCCCC=C
• IUPAC Name: ethyl hept-6-enoate
• InChIKey: FTJATNSAFIFEDU-UHFFFAOYSA-N
• INCHI: 1S/C9H16O2/c1-3-5-6-7-8-9(10)11-4-2/h3H,1,4-8H2,2H3
• Isomeri SMILES: CCOC(=O)CCCCC=C
• Peso molecolare: 156.225
• Reaxy-Rn: 1754855
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1754855&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Classe: Fatty Acyls
• Subclass: Fatty acid esters
• Intermediate Tree Nodes: Not available
• Direct Parent: Fatty acid esters
• Alternative Parents: Carboxylic acid esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Fatty acid ester - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
• Descrizione: 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

Proprietà chimiche e fisiche

• Indice di rifrazione: 1.426 (lit.)
• Punto di ebollizione (°C): 189 °C (lit.)
• Peso molecolare: 156.220 g/mol
• XLogP3: 2.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 7
• Exact Mass: 156.115 Da
• Monoisotopic Mass: 156.115 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 119.000
• 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

Domande frequenti

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). 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 25118-23-4, the molecular formula is C9H16O2, and the molecular weight is 156.225 g/mol. InChIKey FTJATNSAFIFEDU-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.