Ethyl propionate - CP, ≥98% , CAS No.105-37-3

CAS: 105-37-3 Cat. No.: E103458 Formula: C₅H₁₀O₂ Molecular Weight: 102.13 Beilstein Registry Number: 506287 EC Number: 203-291-4

GRADE & PURITY CP, ≥98%

Synonyms

ETHYL PROPIONATE|Ethyl propanoate|105-37-3|Propanoic acid, ethyl ester|Propionic ester|Propionic ether|Propionic acid, ethyl ester|Propionate d'ethyle|Propionic acid ethyl ester|Ethyl n-propionate|Propanoic acid ethyl ester|Ethylpropionate|FEMA No. 2456|E

Storage

Room temperature,Desiccated

Shipped In

FedEx DG Service

Overview

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.

Specifications

Synonyms

ETHYL PROPIONATE | Ethyl propanoate | 105-37-3 | Propanoic acid, ethyl ester | Propionic ester | Propionic ether | Propionic acid, ethyl ester | Propionate d'ethyle | Propionic acid ethyl ester | Ethyl n-propionate | Propanoic acid ethyl ester | Ethylpropionate | FEMA No. 2456 | E

Specifications & Purity

CP, ≥98%

Storage

Room temperature,Desiccated

Shipped In

FedEx DG Service

Grade

CP

Purity

≥98%

Names and Identifiers

Pubchem Sid

528769255

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/528769255

Canonical Smiles

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

Isomeric SMILES

CCC(=O)OCC

WGK Germany

1

RTECS

UF3675000

UN Number

1195

Packing Group

II

Molecular Weight

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
    • 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: 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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Insoluble in water, soluble in alcohol and ether, and miscible with most organic solvents.
• Sensitivity: Moisture sensitive.
• Refractive Index: 1.384 (lit.)
• Flash Point(°F): 53.6℉
• Flash Point(°C): 12℃
• Boil Point(°C): 99°C
• Melt Point(°C): -73°C
• Molecular Weight: 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