Ethyl trans-2-Decenoate - ≥96%(GC) , CAS No.7367-88-6

CAS: 7367-88-6 Cat. No.: E156569 Summenformel: C₁₂H₂₂O₂ Molekulargewicht: 198.31 EG-Nummer: 230-918-9

GRADE & PURITY ≥96%(GC)

Synonyms

Ethyl (2E)-2-decenoate | Ethyl 2-decenoate | FEMA 3641 | ETHYLTRANS-2-DECENOATE | AKOS006275945 | EINECS 230-918-9 | ETHYL 2-(E)-DECENOATE | Bis(trimethylsilyl)amidolithium | CHEBI:87324 | DTXSID50884377 | Ethyl trans-2-decenoate | Ethyl trans-2-decenoate

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyme

Ethyl (2E)-2-decenoate | Ethyl 2-decenoate | FEMA 3641 | ETHYLTRANS-2-DECENOATE | AKOS006275945 | EINECS 230-918-9 | ETHYL 2-(E)-DECENOATE | Bis(trimethylsilyl)amidolithium | CHEBI:87324 | DTXSID50884377 | Ethyl trans-2-decenoate | Ethyl trans-2-decenoate

Spezifikationen & Reinheit

≥96%(GC)

Storage

Argon charged,Room temperature

Verschickt in

Normal

Reinheit

≥96%(GC)

Namen und Kennungen

• Pubchem Sid: 528770550
• Kanonisches Lächeln: CCCCCCCC=CC(=O)OCC
• IUPAC Name: ethyl (E)-dec-2-enoate
• InChIKey: GNJARWZWODMTDR-ZHACJKMWSA-N
• INCHI: 1S/C12H22O2/c1-3-5-6-7-8-9-10-11-12(13)14-4-2/h10-11H,3-9H2,1-2H3/b11-10+
• Isomere SMILES: CCCCCCC/C=C/C(=O)OCC
• WGK Deutschland: 3
• Molekulargewicht: 198.31
• Reaxy-Rn: 1762403
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1762403&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: fatty acid ethyl ester

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: air sensitive;light sensitive
• Brechungsindex: 1.446
• Flammpunkt (°F): 230°F
• Flammpunkt (°C): 110°C
• Siedepunkt (°C): 251°C
• Molekulargewicht: 198.300 g/mol
• XLogP3: 4.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 9
• Exact Mass: 198.162 Da
• Monoisotopic Mass: 198.162 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 162.000
• 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