Ethyl formate - AR, ≥98% , CAS No.109-94-4

CAS: 109-94-4 Cat. No.: E110415 Formula: C₃H₆O₂ Molecular Weight: 74.08 Beilstein Registry Number: 906769 EC Number: 203-721-0

GRADE & PURITY AR, ≥98%

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 | Ethyle (formiate d') | Etile (formiato

Storage

Room temperature,Desiccated

Shipped In

FedEx DG Service

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 | Ethyle (formiate d') | Etile (formiato

Specifications & Purity

AR, ≥98%

Storage

Room temperature,Desiccated

Shipped In

FedEx DG Service

Grade

AR

Purity

≥98%

Names and Identifiers

Pubchem Sid

504751547

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504751547

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: Soluble in water (105 g/l at 20 °C).
• Sensitivity: Moisture Sensitive
• x_refractive_index: 1.359
• x_flash_point_drop_fahrenheit: -4.0 °F - closed cup
• x_flash_point_drop_centigrade: -20℃
• x_boil_point_char: 54°C
• x_melt_point_char: -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

Frequently Asked Questions

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

What does AR mean?

AR is a defined analytical purity tier suitable for general analytical and reagent applications. It specifies a minimum assay percentage, controlled limits on common impurities (water, heavy metals, residue on ignition), and lot-to-lot consistency. AR is one of several purity tiers — choose based on the sensitivity and regulatory requirements of your method.

How should this product be stored?

Store at room temperature, desiccated. Keep the container tightly closed with desiccant — the material is moisture-sensitive.

How is this product shipped?

This product is classified as dangerous goods and ships via FedEx DG Service. Ground and other economy services are not available, and delivery to some destinations or address types may be restricted.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 109-94-4, the molecular formula is C3H6O2, and the molecular weight is 74.08 g/mol. InChIKey WBJINCZRORDGAQ-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.