2-Butynsäureethylester - ≥98% , CAS No.4341-76-8

CAS: 4341-76-8 Cat. No.: E106247 Summenformel: C₆H₈O₂ Molekulargewicht: 112.13 Beilstein Registry Number: 1744948 EG-Nummer: 224-395-6

GRADE & PURITY ≥98%

Synonyms

1-Ethenyl-cyclohexanol | Ethyl 2-butynoate | T1052 | ethyl but-2-ynoate | 6UG3A7S3GB | 3-AMINO-N-[2-[(2-SULFOXY)ETHYL]-SULFONYL]ETHYLBENZAMIDE,SODIUM | Ethyl 2-butynoate, 98% | ethyl but-2-ynoat | J-802203 | AS-14742 | ETHYL-2-BUTYNOATE | N,N,N-tripropylp

Storage

Argon charged,Room temperature

Shipped In

Normal

Übersicht

Es ist ein Inhibitor der Methanogenese. Es ist ein internes Alkin mit Elektronenmangel, das Berichten zufolge mit Alkenen zu 1,3-Dienen kodimerisiert, was durch den Rhodium(I)/H8-BINAP-Komplex katalysiert wird. Die durch Tri-n-butylphosphin katalysierte Annulation von Thioamiden mit Ethyl-2-butynoat zur Bildung von Thiazolinen wurde untersucht.
Sie wurde für die Untersuchung ihrer Auswirkungen auf den In-vitro-Abbau und die mikrobielle Biomasseproduktion verwendet. Es kann für die Synthese der folgenden Stoffe verwendet werden: . 3-Ethyl, 1-Methyl-1-(2-nitrophenyl)-cyclopent-3-en-1,3-dicarboxylat . tricyclische Aziridinderivate . Alkenylsilanole

Specifications

Synonyme

1-Ethenyl-cyclohexanol | Ethyl 2-butynoate | T1052 | ethyl but-2-ynoate | 6UG3A7S3GB | 3-AMINO-N-[2-[(2-SULFOXY)ETHYL]-SULFONYL]ETHYLBENZAMIDE,SODIUM | Ethyl 2-butynoate, 98% | ethyl but-2-ynoat | J-802203 | AS-14742 | ETHYL-2-BUTYNOATE | N,N,N-tripropylp

Spezifikationen & Reinheit

≥98%

Storage

Argon charged,Room temperature

Verschickt in

Normal

Reinheit

≥98%

Namen und Kennungen

• Pubchem Sid: 504755241
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504755241
• Kanonisches Lächeln: CCOC(=O)C#CC
• IUPAC Name: ethyl but-2-ynoate
• InChIKey: FCJJZKCJURDYNF-UHFFFAOYSA-N
• INCHI: 1S/C6H8O2/c1-3-5-6(7)8-4-2/h4H2,1-2H3
• Isomere SMILES: CCOC(=O)C#CC
• WGK Deutschland: 3
• Molekulargewicht: 112.13
• Beilstein: 1744948
• Reaxy-Rn: 1744948
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1744948&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: Ynoate 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 - Ynoate 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

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Soluble in water (partly), chloroform, and ethyl acetate.
• Empfindlichkeit: Air sensitive
• Brechungsindex: 1.436
• Flammpunkt (°F): 143.6 °F
• Flammpunkt (°C): 62 °C
• Siedepunkt (°C): 161°C
• Molekulargewicht: 112.130 g/mol
• XLogP3: 1.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 112.052 Da
• Monoisotopic Mass: 112.052 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 135.000
• 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

Häufig gestellte Fragen

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

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 4341-76-8, the molecular formula is C6H8O2, and the molecular weight is 112.13 g/mol. InChIKey FCJJZKCJURDYNF-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.