Propargyl acetate - ≥97% , CAS No.627-09-8

CAS: 627-09-8 Cat. No.: P304196 Fórmula: C₅H₆O₂ Peso molecular: 98.101 Número CE: 628-780-3

GRADE & PURITY ≥97%

Synonyms

EN300-748825 | MFCD00041601 | AKOS005068092 | FT-0693874 | Propargyl acetate, 98% | Acetic acid propargyl ester | 2-Propynyl acetate | 2-Propyn-1-ol, acetate | 2-Propyn-1-ol, 1-acetate | BRN 1742046 | 1-acetoxy-2-propyne | 3-Acetoxypropyne | Prop-2-yn-1-y

Storage

Room temperature,Argon charged

Shipped In

Normal

Visão geral

Product Application:

Propargyl acetate may be used to synthesize:

optically active γ-hydroxy α,β-unsaturated aldehydes

homopropargyl alcohols

poly(propargyl acetate)

Specifications

Sinónimos

EN300-748825 | MFCD00041601 | AKOS005068092 | FT-0693874 | Propargyl acetate, 98% | Acetic acid propargyl ester | 2-Propynyl acetate | 2-Propyn-1-ol, acetate | 2-Propyn-1-ol, 1-acetate | BRN 1742046 | 1-acetoxy-2-propyne | 3-Acetoxypropyne | Prop-2-yn-1-y

Especificações e pureza

≥97%

Condições de armazenamento de armazenamento

Room temperature,Argon charged

Enviado em

Normal

Pureza

≥97%

Nomes e identificadores

• Pubchem Sid: 488184311
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488184311
• Sorrisos canónicos: CC(=O)OCC#C
• IUPAC Name: prop-2-ynyl acetate
• InChIKey: RIZZXCJMFIGMON-UHFFFAOYSA-N
• INCHI: 1S/C5H6O2/c1-3-4-7-5(2)6/h1H,4H2,2H3
• SMILES isoméricas: CC(=O)OCC#C
• Número UN: 1992
• Grupo de embalagem: III
• Peso molecular: 98.101

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Classe Carboxylic acids and derivatives
      • Subclass Carboxylic acid derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: Carboxylic acids and derivatives
• Subclass: Carboxylic acid derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Carboxylic acid esters
• Alternative Parents: Monocarboxylic acids and derivatives Acetylides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Carboxylic acid ester - Acetylide - Monocarboxylic acid or derivatives - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
• Descrição: This compound belongs to the class of organic compounds known as carboxylic acid esters. These are carboxylic acid derivatives in which the carbon atom from the carbonyl group is attached to an alkyl or an aryl moiety through an oxygen atom (forming an ester group).
• 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

Propriedades químicas e físicas

• Índice de refração: n20/D 1.417(lit.)
• Ponto de inflamação (°C): 32°C
• Ponto de ebulição (°C): 124°
• Peso molecular: 98.100 g/mol
• XLogP3: 0.200
• 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