Ethyl propiolate - ≥98%(GC) , CAS No.623-47-2

CAS: 623-47-2 Cat. No.: E107738 分子式: HC≡CCO₂C₂H₅ 分子量: 98.10 Beilstein Registry Number: 878250 EC番号: 210-795-8

グレード＆純度 ≥98%(GC)

Synonyms

ETHYL PROPIOLATE [MI] | Ethyl propiolate; | Ethyl propiolate, 99% | W235G5U52S | A833725 | Ethyl 2-propynoate | ethyl propalate | F0001-1671 | Propynoic Acid Ethyl Ester | AI3-37704 | ethyl propargylate | prop-2-ynoic acid ethyl ester | J-521279 | Q271227

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

仕様

同義語

ETHYL PROPIOLATE [MI] | Ethyl propiolate; | Ethyl propiolate, 99% | W235G5U52S | A833725 | Ethyl 2-propynoate | ethyl propalate | F0001-1671 | Propynoic Acid Ethyl Ester | AI3-37704 | ethyl propargylate | prop-2-ynoic acid ethyl ester | J-521279 | Q271227

仕様と純度

≥98%(GC)

保管条件

Store at 2-8°C,Argon charged

入荷

Wet ice

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

純度

≥98%(GC)

名前と識別子

パブケム・シド

504752276

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/504752276

カノニカル・スマイル

CCOC(=O)C#C

IUPAC Name

ethyl prop-2-ynoate

InChIKey

FMVJYQGSRWVMQV-UHFFFAOYSA-N

INCHI

1S/C5H6O2/c1-3-5(6)7-4-2/h1H,4H2,2H3

異性体SMILES

CCOC(=O)C#C

WGKドイツ

3

UN番号

3272

分子量

98.10

Beilstein

878250

Reaxy-Rn

878250

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=878250&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • 分類 Carboxylic acids and derivatives
      • Subclass Carboxylic acid derivatives
        • Level5 Carboxylic acid esters
          • Level6 Alpha,beta-unsaturated carboxylic esters
            • Level7 Ynoate esters

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• 分類: Carboxylic acids and derivatives
• Subclass: Carboxylic acid derivatives
• Intermediate Tree Nodes: Carboxylic acid esters - Alpha,beta-unsaturated carboxylic esters
• Direct Parent: Ynoate esters
• Alternative Parents: Monocarboxylic acids and derivatives Acetylides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Ynoate ester - Acetylide - Monocarboxylic acid or derivatives - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
• 説明: This compound belongs to the class of organic compounds known as ynoate esters. These are an alpha,beta-unsaturated carboxylic ester of general formula R1C#CC(=O)OR2 (R2= organyl compound) in which the ester C=O function is conjugated to a C#C double bond at the alpha,beta position.
• External Descriptors: terminal acetylenic compound - ethyl ester - ynoate 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

関連ターゲット（非人間）

Tetrahymena pyriformis (68 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

作用メカニズム

化学的性質と物理的性質

• 溶解度: Miscible with alcohol.
• 感度: Air sensitive
• 屈折率: 1.412
• 引火点（°F）: 77 °F
• 引火点（°C）: 25 °C
• 沸点（°C）: 120°C
• 融点（°C）: 9°C
• 分子量: 98.100 g/mol
• XLogP3: 1.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 98.0368 Da
• Monoisotopic Mass: 98.0368 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 106.000
• 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

よくある質問

What is the purity of this product, and how is it determined?

This product is supplied at ≥98% purity, determined by gas chromatography (GC). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 623-47-2, the molecular formula is C5H6O2, and the molecular weight is 98.10 g/mol. InChIKey FMVJYQGSRWVMQV-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.