Methyl propionate - analytical standard , CAS No.554-12-1

CAS: 554-12-1 Cat. No.: M110422 분자식: C₄H₈O₂ 분자량: 88.11 Beilstein Registry Number: 1737628 EC 번호: 209-060-4

GRADE & PURITY Analytical standard

Synonyms

METHYL PROPIONATE|Methyl propanoate|554-12-1|Propanoic acid, methyl ester|Methyl propylate|Methylpropionate|Propionic acid, methyl ester|Propionate de methyle|FEMA No. 2742|FEMA Number 2742|Propanoic acid methyl ester|PROPIONIC ACID METHYL ESTER|Methyl Pr

Storage

Room temperature

Shipped In

FedEx DG Service

개요

Methyl propionate is a volatile odorant found in pineapples.

Specifications

동의어

METHYL PROPIONATE | Methyl propanoate | 554-12-1 | Propanoic acid, methyl ester | Methyl propylate | Methylpropionate | Propionic acid, methyl ester | Propionate de methyle | FEMA No. 2742 | FEMA Number 2742 | Propanoic acid methyl ester | PROPIONIC ACID METHYL ESTER | Methyl Pr

사양 및 순도

analytical standard

보관 조건

Room temperature

배송

FedEx DG Service

등급

분석 표준물질

이름과 식별자

Pubchem Sid

528769259

정식 스마일

CCC(=O)OC

IUPAC Name

methyl propanoate

InChIKey

RJUFJBKOKNCXHH-UHFFFAOYSA-N

INCHI

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

이성체 SMILES

CCC(=O)OC

WGK 독일

1

RTECS

UF5970000

UN 번호

1248

포장 그룹

II

분자량

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
    • 분류 Carboxylic acids and derivatives
      • Subclass Carboxylic acid derivatives
        • Level5 Carboxylic acid esters
          • Level6 Methyl esters

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• 분류: 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
• 설명: 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

화학 및 물리적 특성

• 용해성: Slightly soluble in water, miscible with ethanol and ether.
• 감도: Moisture sensitive.
• 굴절률: 1.377
• 발화점(°F): 28.4 °F - closed cup
• 발화점(°C): -2℃
• 끓는점(°C): 78-79°C
• 녹는점(°C): -88°C
• 분자량: 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