Ethyl trans-2-hexenoate - ≥99% , CAS No.27829-72-7

CAS: 27829-72-7 Cat. No.: E117526 Summenformel: C₈H₁₄O₂ Molekulargewicht: 142.2 Beilstein Registry Number: 2(4)1564 EG-Nummer: 248-681-5

GRADE & PURITY ≥99%

Synonyms

Ethyl hex-2-enoate | UNII-OL4EUZ6C13 | J-016890 | EN300-7399033 | Ethyl ester of 2-hexenoic acid | trans-2-Hexenoic Acid Ethyl Ester | CHEBI:87514 | Ethyl 2-hexenoate | 2-Hexenoic acid, ethyl ester, (2E)- | CHEBI:195732 | SCHEMBL755909 | Ethyl 2E-hexenoat

Storage

Protected from light,Room temperature

Shipped In

Normal

Specifications

Synonyme

Ethyl hex-2-enoate | UNII-OL4EUZ6C13 | J-016890 | EN300-7399033 | Ethyl ester of 2-hexenoic acid | trans-2-Hexenoic Acid Ethyl Ester | CHEBI:87514 | Ethyl 2-hexenoate | 2-Hexenoic acid, ethyl ester, (2E)- | CHEBI:195732 | SCHEMBL755909 | Ethyl 2E-hexenoat

Spezifikationen & Reinheit

≥99%

Storage

Protected from light,Room temperature

Verschickt in

Normal

Reinheit

≥99%

Namen und Kennungen

• Pubchem Sid: 504763741
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504763741
• Kanonisches Lächeln: CCCC=CC(=O)OCC
• IUPAC Name: ethyl (E)-hex-2-enoate
• InChIKey: SJRXWMQZUAOMRJ-VOTSOKGWSA-N
• INCHI: 1S/C8H14O2/c1-3-5-6-7-8(9)10-4-2/h6-7H,3-5H2,1-2H3/b7-6+
• Isomere SMILES: CCC/C=C/C(=O)OCC
• UN-Nummer: 3272
• Molekulargewicht: 142.2
• Beilstein: 2(4)1564
• Reaxy-Rn: 1747234
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1747234&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: Enoate esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Fatty acid ester - Alpha,beta-unsaturated carboxylic ester - Enoate 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
• 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

• Empfindlichkeit: Light Sensitive,Air Sensitive
• Brechungsindex: 1.434
• Flammpunkt (°C): 62°C
• Siedepunkt (°C): 85°C
• Molekulargewicht: 142.200 g/mol
• XLogP3: 2.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 142.099 Da
• Monoisotopic Mass: 142.099 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 116.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1

Häufig gestellte Fragen

What is the purity of this product?

This product is supplied at ≥99% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature, protected from light. The material is light-sensitive — keep it in its original opaque or amber container.

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 27829-72-7, the molecular formula is C8H14O2, and the molecular weight is 142.2 g/mol. InChIKey SJRXWMQZUAOMRJ-VOTSOKGWSA-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.