Methyl propionate - Standard for GC, ≥99.7%(GC) , CAS No.554-12-1

CAS: 554-12-1 Cat. No.: M110420 Fórmula: C₄H₈O₂ Peso molecular: 88.11 Beilstein Registry Number: 1737628 Número CE: 209-060-4

GRADE & PURITY Standard for GC, ≥99.7%(GC)

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

Visão geral

Methyl propionate is a volatile odorant found in pineapples.

Specifications

Sinónimos

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

Especificações e pureza

Standard for GC, ≥99.7%(GC)

Condições de armazenamento de armazenamento

Room temperature

Enviado em

FedEx DG Service

Grau

Standard for GC

Pureza

≥99.7%(GC)

Nomes e identificadores

• Pubchem Sid: 508811729
• Sorrisos canónicos: CCC(=O)OC
• IUPAC Name: methyl propanoate
• InChIKey: RJUFJBKOKNCXHH-UHFFFAOYSA-N
• INCHI: 1S/C4H8O2/c1-3-4(5)6-2/h3H2,1-2H3
• SMILES isoméricas: CCC(=O)OC
• WGK Alemanha: 1
• RTECS: UF5970000
• Número UN: 1248
• Grupo de embalagem: II
• Peso molecular: 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
    • Classe Carboxylic acids and derivatives
      • Subclass Carboxylic acid derivatives
        • Level5 Carboxylic acid esters
          • Level6 Methyl esters

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: 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
• Descrição: 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

Propriedades químicas e físicas

• Solubilidade: Slightly soluble in water, miscible with ethanol and ether.
• Sensibilidade: Moisture sensitive.
• Índice de refração: 1.377
• Ponto de inflamação (°F): 28.4 °F - closed cup
• Ponto de inflamação (°C): -2℃
• Ponto de ebulição (°C): 78-79°C
• Ponto de fusão (°C): -88°C
• Peso molecular: 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