ETHYL 2-PENTYNOATE - ≥98% , CAS No.55314-57-3

CAS: 55314-57-3 Cat. No.: E189158 Fórmula: C₇H₁₀O₂ Peso molecular: 126.15 Número CE: 259-588-4

GRAU & PUREZA ≥98%

Synonyms

SY045959 | BCP20891 | EN300-246790 | Ethyl pent-2-yn-1-oate | DTXSID40203871 | NSC190964 | NSC-190964 | pent-2-ynoic acid ethyl ester | MFCD00015221 | 2-Pentynoic acid, ethyl ester | ethylpent-2-ynoate | ethyl pent-2-ynoate | Ethyl 2-pentynoate | AS-44614

Storage

Store at 2-8°C

Shipped In

Wet ice

Especificações

Sinónimos

SY045959 | BCP20891 | EN300-246790 | Ethyl pent-2-yn-1-oate | DTXSID40203871 | NSC190964 | NSC-190964 | pent-2-ynoic acid ethyl ester | MFCD00015221 | 2-Pentynoic acid, ethyl ester | ethylpent-2-ynoate | ethyl pent-2-ynoate | Ethyl 2-pentynoate | AS-44614

Especificações e pureza

≥98%

Condições de armazenamento de armazenamento

Store at 2-8°C

Enviado em

Wet ice

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥98%

Nomes e identificadores

Pubchem Sid

508808071

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/508808071

Sorrisos canónicos

CCC#CC(=O)OCC

IUPAC Name

ethyl pent-2-ynoate

InChIKey

XDPRPKSTFBPPHU-UHFFFAOYSA-N

INCHI

1S/C7H10O2/c1-3-5-6-7(8)9-4-2/h3-4H2,1-2H3

SMILES isoméricas

CCC#CC(=O)OCC

WGK Alemanha

3

Número UN

3272

Grupo de embalagem

III

Peso molecular

126.15

Reaxy-Rn

1750016

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1750016&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Classe Fatty Acyls
      • Subclass Fatty acid esters

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Classe: 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
• Descrição: 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

Propriedades químicas e físicas

• Solubilidade: Not miscible in water.
• Ponto de inflamação (°F): 100.4 °F
• Ponto de inflamação (°C): 38 °C
• Ponto de ebulição (°C): 178-179°C
• Peso molecular: 126.150 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 126.068 Da
• Monoisotopic Mass: 126.068 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 147.000
• 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