Methyl-trans-2-Octenoat - ≥95% , CAS No.7367-81-9

CAS: 7367-81-9 Cat. No.: M158154 Summenformel: C₉H₁₆O₂ Molekulargewicht: 156.23 Beilstein Registry Number: 2(4)1588 EG-Nummer: 230-912-6

GRADE & PURITY ≥95%

Synonyms

EINECS 203-838-7 | UNII-0TTP6YT2T3 | BS-49141 | DTXSID00223919 | M2014 | METHYL 2-OCTENOATE, TRANS- | Acetato di cellosolve | Methyloctenoat | UNII-9EN9V40J78 | METHYLTRANS-2-OCTENOATE | 9EN9V40J78 | Methyl trans-2-octenoate, 90+%, remainder mainly cis-is

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyme

EINECS 203-838-7 | UNII-0TTP6YT2T3 | BS-49141 | DTXSID00223919 | M2014 | METHYL 2-OCTENOATE, TRANS- | Acetato di cellosolve | Methyloctenoat | UNII-9EN9V40J78 | METHYLTRANS-2-OCTENOATE | 9EN9V40J78 | Methyl trans-2-octenoate, 90+%, remainder mainly cis-is

Spezifikationen & Reinheit

≥95%

Storage

Argon charged,Room temperature

Verschickt in

Normal

Reinheit

≥95%

Namen und Kennungen

• Pubchem Sid: 488195445
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488195445
• Kanonisches Lächeln: CCCCCC=CC(=O)OC
• IUPAC Name: methyl (E)-oct-2-enoate
• InChIKey: CJBQSBZJDJHMLF-BQYQJAHWSA-N
• INCHI: 1S/C9H16O2/c1-3-4-5-6-7-8-9(10)11-2/h7-8H,3-6H2,1-2H3/b8-7+
• Isomere SMILES: CCCCC/C=C/C(=O)OC
• Molekulargewicht: 156.23
• Beilstein: 2(4)1588
• Reaxy-Rn: 1752545
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1752545&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: Methyl esters 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 - Methyl 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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Empfindlichkeit: Light Sensitive,Air Sensitive
• Brechungsindex: 1.44
• Flammpunkt (°C): 83°C(lit.)
• Siedepunkt (°C): 91°C/9mmHg(lit.)
• Molekulargewicht: 156.220 g/mol
• XLogP3: 3.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• 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: 128.000
• 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