Methyl stearate - analytical standard, ≥99.5%(GC), used for Methyl stearate has been used as a reference standard：in gas chromatography (GC) to evaluate the absolute amount of methyl stearate among the fatty acid methyl esters of biodiesel. To evaluate th

CAS: 112-61-8 Cat. No.: M109606 분자식: C₁₉H₃₈O₂ 분자량: 298.50 Beilstein Registry Number: 1786213 EC 번호: 203-990-4

GRADE & PURITY Analytical standard, ≥99.5%(GC)

Synonyms

Methyl n-octadecanoate | Stearic acid methyl ester | Stearic acid methyl ester

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

개요

Methyl stearate or methyl octadecanoic acid is a saturated methyl ester and a representative key molecule of biodiesel fatty acid methyl esters (FAMEs) produced from vegetable oils. Methyl stearate occurs naturally in clove oil.

Specifications

동의어

Methyl n-octadecanoate | Stearic acid methyl ester | Stearic acid methyl ester

사양 및 순도

analytical standard, ≥99.5%(GC)

애플리케이션

Methyl stearate has been used as a reference standard：in gas chromatography (GC) to evaluate the absolute amount of methyl stearate among the fatty acid methyl esters of biodiesel. To evaluate the intramuscular fatty acid profile of fresh lamb meat in GC.

보관 조건

Store at -20°C

배송

Ice chest + Ice pads

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등급

분석 표준물질

순수함

≥99.5%(GC)

이름과 식별자

• 정식 스마일: CCCCCCCCCCCCCCCCCC(=O)OC
• IUPAC Name: methyl octadecanoate
• InChIKey: HPEUJPJOZXNMSJ-UHFFFAOYSA-N
• INCHI: 1S/C19H38O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h3-18H2,1-2H3
• 이성체 SMILES: CCCCCCCCCCCCCCCCCC(=O)OC
• WGK 독일: 3
• RTECS: WI4460000
• 분자량: 298.50
• Beilstein: 1786213
• Reaxy-Rn: 1786213
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1786213&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • 분류 Fatty Acyls
      • Subclass Fatty acid esters

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• 분류: Fatty Acyls
• Subclass: Fatty acid esters
• Intermediate Tree Nodes: Not available
• Direct Parent: Fatty acid methyl esters
• Alternative Parents: Methyl esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Fatty acid methyl ester - Methyl ester - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - 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 fatty acid methyl esters. These are compounds containing a fatty acid that is esterified with a methyl group. They have the general structure RC(=O)OR', where R=fatty aliphatic tail 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: Insoluble in water, soluble in ether and alcohol.
• 발화점(°F): 230.0 °F
• 발화점(°C): 110.0 ℃
• 끓는점(°C): 181-182 °C/4 mmHg
• 녹는점(°C): 37-41°C
• 분자량: 298.500 g/mol
• XLogP3: 9.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 17
• Exact Mass: 298.287 Da
• Monoisotopic Mass: 298.287 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 214.000
• 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