Methyl propionate - ≥98% , CAS No.554-12-1

CAS: 554-12-1 Cat. No.: M491732 Formula: C₄H₈O₂ Molecular Weight: 88.11 Beilstein Registry Number: 1737628 EC Number: 209-060-4

GRADE & PURITY ≥98%

Synonyms

Methyl Propionate (natural) | Methyl propionate, analytical standard | CHEBI:89873 | METHYL PROPIONATE | FT-0628797 | Propanoic acid methyl ester | B64DF78F-37BE-4C30-A4DB-6EB6AD7FDD52 | UN 1248 | WE(1:0/3:0) | PROPIONIC ACID METHYL ESTER | Propionic acid

Storage

Room temperature

Shipped In

FedEx DG Service

Overview

Product description：

Methyl propionate is an efficient solvent for Porcine Pancreatic Lipase (PPL)-catalyzed transesterification reaction of various diols. It is commonly used in organic synthesis. It undergoes vapour-phase aldol condensation with formaldehyde to form methyl methacrylate.

Specifications

Synonyms

Methyl Propionate (natural) | Methyl propionate, analytical standard | CHEBI:89873 | METHYL PROPIONATE | FT-0628797 | Propanoic acid methyl ester | B64DF78F-37BE-4C30-A4DB-6EB6AD7FDD52 | UN 1248 | WE(1:0/3:0) | PROPIONIC ACID METHYL ESTER | Propionic acid

Specifications & Purity

≥98%

Storage

Room temperature

Shipped In

FedEx DG Service

Purity

≥98%

Names and Identifiers

Pubchem Sid

504752066

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504752066

Canonical Smiles

CCC(=O)OC

IUPAC Name

methyl propanoate

InChIKey

RJUFJBKOKNCXHH-UHFFFAOYSA-N

INCHI

1S/C4H8O2/c1-3-4(5)6-2/h3H2,1-2H3

Isomeric SMILES

CCC(=O)OC

WGK Germany

1

RTECS

UF5970000

UN Number

1248

Packing Group

II

Molecular Weight

88.11

Beilstein

1737628

Reaxy-Rn

1737628

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1737628&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Carboxylic acids and derivatives
      • Subclass Carboxylic acid derivatives
        • Level5 Carboxylic acid esters
          • Level6 Methyl esters

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Carboxylic acid derivatives
• Intermediate Tree Nodes: Carboxylic acid esters
• Direct Parent: Methyl esters
• Alternative Parents: Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Methyl 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 methyl esters. These are organic compounds containing a carboxyl group that is esterified with a methyl group. They have the general structure RC(=O)OR', where R=H or organyl group and R'=methyl 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

Chemical and Physical Properties

• Solubility: Soluble in water (5g/L). alcohol: miscible diethyl ether: miscible
• Sensitivity: Moisture sensitive
• Refractive Index: 1.377
• Flash Point(°F): 28.4 °F - closed cup
• Flash Point(°C): -2℃
• Boil Point(°C): 78-79°C
• Melt Point(°C): -88°C
• Molecular Weight: 88.110 g/mol
• XLogP3: 0.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 88.0524 Da
• Monoisotopic Mass: 88.0524 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 49.500
• 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.

How should this product be stored?

Store at room temperature.

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 554-12-1, the molecular formula is C4H8O2, and the molecular weight is 88.11 g/mol. InChIKey RJUFJBKOKNCXHH-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.