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

CAS: 109-94-4 Cat. No.: E110414 Formula: C₃H₆O₂ Molecular Weight: 74.08 Beilstein Registry Number: 906769 EC Number: 203-721-0

GRADE & PURITY ≥99%

Synonyms

CHEBI:23990 | ETHYL FORMATE [FHFI] | FEMA No. 2434 | Mrowczan etylu [Polish] | UN 1190 | ETHYL FORMATE | Ethyl formate, SAJ special grade, >=97.0% | Formic acid, ethyl ester | CHEBI:52342 | FORMIC ACID,ETHYL ESTER

Storage

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

Shipped In

Wet ice,FedEx DG Service

Overview

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.

Specifications

Synonyms

CHEBI:23990 | ETHYL FORMATE [FHFI] | FEMA No. 2434 | Mrowczan etylu [Polish] | UN 1190 | ETHYL FORMATE | Ethyl formate, SAJ special grade, >=97.0% | Formic acid, ethyl ester | CHEBI:52342 | FORMIC ACID,ETHYL ESTER

Specifications & Purity

≥99%

Storage

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

Shipped In

Wet ice,FedEx DG Service

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥99%

Names and Identifiers

Pubchem Sid

508814974

Pubchem Sid Url

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

Canonical Smiles

CCOC=O

IUPAC Name

ethyl formate

InChIKey

WBJINCZRORDGAQ-UHFFFAOYSA-N

INCHI

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

Isomeric SMILES

CCOC=O

WGK Germany

1

RTECS

LQ8400000

UN Number

1190

Packing Group

II

Molecular Weight

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
    • Class Carboxylic acids and derivatives
      • Subclass Carboxylic acid derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: 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
• Description: 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

Associated Targets(Human)

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Miscible with water, benzene, alcohol, ether, acetone and most organic solvents.
• Sensitivity: Heat & Moisture sensitive.
• Refractive Index: 1.359
• Flash Point(°F): -4.0 °F - closed cup
• Flash Point(°C): -20℃
• Boil Point(°C): 54°C
• Melt Point(°C): -80°C
• Molecular Weight: 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