Ethyl formate - ≥99% , CAS No.109-94-4

CAS: 109-94-4 Cat. No.: E110414 Fórmula: C₃H₆O₂ Peso molecular: 74.08 Beilstein Registry Number: 906769 Número EC: 203-721-0

CALIDAD & PUREZA ≥99%

Synonyms

ETHYL FORMATE [FHFI]|Mrowczan etylu [Polish]|ETHYL FORMATE|Formic acid, ethyl ester|FORMIC ACID,ETHYL ESTER

Storage

Store at 2-8°C,Argon charged,Desiccated

Shipped In

Wet ice,FedEx DG Service

Descripción general

Ethyl formate is an ethyl ester of formic acid. Its microwave spectrum indicates the presence of two isomeric forms having the ethyl group cis to the carbonyl oxygen atom but having different arrangement of the methyl group about the -CH2-O bond. Kinetics of its pyrolytic decomposition to the corresponding acid and alkene has been reported.

Especificaciones

Sinónimos

ETHYL FORMATE [FHFI] | Mrowczan etylu [Polish] | ETHYL FORMATE | Formic acid, ethyl ester | FORMIC ACID,ETHYL ESTER

Especificaciones y pureza

≥99%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C,Argon charged,Desiccated

Enviado en

Wet ice,FedEx DG Service

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥99%

Product Line

E110414-100ml

Nombres e identificadores

Pubchem Sid

508814974

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/508814974

Sonrisas canónicas

CCOC=O

IUPAC Name

ethyl formate

InChIKey

WBJINCZRORDGAQ-UHFFFAOYSA-N

INCHI

1S/C3H6O2/c1-2-5-3-4/h3H,2H2,1H3

Isómeros SMILES

CCOC=O

WGK Alemania

1

RTECS

LQ8400000

Número ONU

1190

Grupo de embalaje

II

Peso molecular

74.08

Beilstein

906769

Reaxy-Rn

906769

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=906769&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: ethyl ester - formate 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

Objetivos asociados (humanos)

ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)

Discover Target: ALDH1A1

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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Miscible with water, benzene, alcohol, ether, acetone and most organic solvents.
• Sensibilidad: Heat & Moisture sensitive.
• Índice de refracción: 1.359
• Punto de inflamación (°F): -4.0 °F - closed cup
• Punto de inflamación (°C): -20℃
• Punto de ebullición (°C): 54°C
• Punto de fusión (°C): -80°C
• Peso molecular: 74.080 g/mol
• XLogP3: 0.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 74.0368 Da
• Monoisotopic Mass: 74.0368 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 5
• Formal Charge: 0
• Complexity: 26.100
• 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