Ethyl propionate - Standard for GC, ≥99.5%(GC) , CAS No.105-37-3

CAS: 105-37-3 Cat. No.: E103457 Fórmula: C₅H₁₀O₂ Peso molecular: 102.13 Beilstein Registry Number: 506287 Número EC: 203-291-4

CALIDAD & PUREZA Standard for GC, ≥99.5%(GC)

Synonyms

DTXCID9020110 | Propionic ester | Propionic acid ethyl ester | propionic acid ethyl ester- | AMY21941 | J-001405 | Ethylester kyseliny propionove [Czech] | BRN 0506287 | Propionate d'ethyle [French] | UN 1195 | Ethyl propionate [UN1195] [Flammable liquid

Storage

Room temperature,Desiccated

Shipped In

FedEx DG Service

Descripción general

Ethyl propionate is a model for studying the fatty acid ethyl esters which are used as first-generation biodiesel.
Ethyl propionate was used to study the effect of its gavage administration on gastric toxicity in male F344 rats.Ethyl propionate, when used for contact dissolution of cholesterol gallstones, shows reduced side effects (attributable to increased blood levels) in piglets when compared to methyl tert-butyl ether.

Especificaciones

Sinónimos

DTXCID9020110 | Propionic ester | Propionic acid ethyl ester | propionic acid ethyl ester- | AMY21941 | J-001405 | Ethylester kyseliny propionove [Czech] | BRN 0506287 | Propionate d'ethyle [French] | UN 1195 | Ethyl propionate [UN1195] [Flammable liquid

Especificaciones y pureza

Standard for GC, ≥99.5%(GC)

Condiciones de almacenamiento de almacenamiento

Room temperature,Desiccated

Enviado en

FedEx DG Service

Grado

Standard for GC

Pureza

≥99.5%(GC)

Nombres e identificadores

Pubchem Sid

508811727

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/508811727

Sonrisas canónicas

CCC(=O)OCC

IUPAC Name

ethyl propanoate

InChIKey

FKRCODPIKNYEAC-UHFFFAOYSA-N

INCHI

1S/C5H10O2/c1-3-5(6)7-4-2/h3-4H2,1-2H3

Isómeros SMILES

CCC(=O)OCC

WGK Alemania

1

RTECS

UF3675000

Número ONU

1195

Grupo de embalaje

II

Peso molecular

102.13

Beilstein

506287

Reaxy-Rn

506287

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=506287&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Carboxylic acids and derivatives
• Subclass: Carboxylic acid derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Carboxylic acid esters
• Alternative Parents: Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Carboxylic acid ester - Monocarboxylic acid or derivatives - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
• Descripción: 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: Wax monoesters

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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Insoluble in water, soluble in alcohol and ether, and miscible with most organic solvents.
• Sensibilidad: Moisture sensitive.
• Índice de refracción: 1.384 (lit.)
• Punto de inflamación (°F): 53.6℉
• Punto de inflamación (°C): 12℃
• Punto de ebullición (°C): 99°C
• Punto de fusión (°C): -73°C
• Peso molecular: 102.130 g/mol
• XLogP3: 1.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 102.068 Da
• Monoisotopic Mass: 102.068 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 59.100
• 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