éster metílico do ácido 3-metoxipropiónico - ≥99%(GC) , CAS No.3852-09-3

CAS: 3852-09-3 Cat. No.: M134953 Fórmula: C₅H₁₀O₃ Peso molecular: 118.13 Beilstein Registry Number: 3297 Número CE: 223-358-1

GRADE & PURITY ≥99%(GC)

Synonyms

EINECS 223-358-1 | Methyl .beta.-methoxypropionate | Methylester kyseliny 3-methoxypropionove [Czech] | NCGC00357254-01 | NSC65578 | NSC-65578 | PROPIONIC ACID, 3-METHOXY-, METHYL ESTER | Tox21_304047 | A824180 | STL190840 | .beta.-Methoxypropionic acid,

Storage

Room temperature

Shipped In

Normal

Visão geral

Pode ser utilizado como reagente de acilação para a N-acilação catalisada por lipase da 1-feniletanamina e na síntese de resinas de poli(2-hidroxiletil 5-norborneno-2-carboxilato /t-butil 5-norborneno-2-carboxilato /ácido 5-norborneno-2-carboxílico /anidrido maleico). O desempenho litográfico destas resinas foi estudado utilizando um stepper ArF.

Specifications

Sinónimos

EINECS 223-358-1 | Methyl .beta.-methoxypropionate | Methylester kyseliny 3-methoxypropionove [Czech] | NCGC00357254-01 | NSC65578 | NSC-65578 | PROPIONIC ACID, 3-METHOXY-, METHYL ESTER | Tox21_304047 | A824180 | STL190840 | .beta.-Methoxypropionic acid,

Especificações e pureza

≥99%(GC)

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥99%(GC)

Nomes e identificadores

• Pubchem Sid: 488182560
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488182560
• Sorrisos canónicos: COCCC(=O)OC
• IUPAC Name: methyl 3-methoxypropanoate
• InChIKey: BDJSOPWXYLFTNW-UHFFFAOYSA-N
• INCHI: 1S/C5H10O3/c1-7-4-3-5(6)8-2/h3-4H2,1-2H3
• SMILES isoméricas: COCCC(=O)OC
• RTECS: UF5274000
• Número UN: 3272
• Grupo de embalagem: III
• Peso molecular: 118.13
• Beilstein: 3297
• Reaxy-Rn: 1744829
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1744829&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 Dialkyl ethers Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Methyl ester - Monocarboxylic acid or derivatives - Ether - Dialkyl ether - 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: Not available

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

• Índice de refração: 1.4010 to 1.4040
• Ponto de inflamação (°F): 116.6 °F
• Ponto de inflamação (°C): 47°C
• Ponto de ebulição (°C): 144°C
• Peso molecular: 118.130 g/mol
• XLogP3: -0.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 118.063 Da
• Monoisotopic Mass: 118.063 Da
• Topological Polar Surface Area: 35.500 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 70.100
• 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