Methyl stearate - ≥40% , CAS No.112-61-8

CAS: 112-61-8 Cat. No.: M109605 Formule: C₁₉H₃₈O₂ Poids moléculaire: 298.50 Beilstein Registry Number: 1786213 Numéro CE: 203-990-4

GRADE & PURITY ≥40%

Synonyms

CHEBI:69188 | A894565 | EC 203-990-4 | Methyl Stearate; Octadecanoic acid methyl ester; Methyl octadecanoate | n-Octadecanoic acid, methyl ester | W-108643 | C18 FAME | DTXSID2047640 | EINECS 203-990-4 | 4-02-00-01216 (Beilstein Handbook Reference) | AC-3

Storage

Room temperature

Shipped In

Normal

Vue d’ensemble

Methyl stearate is one of the key fatty acid methyl ester (FAME) component of biodiesel fuel produced by the transesterification of triglyceride oil and a primary alcohol. It is reported to occur in the volatile oil of Rheum palmatum L rhizomes and Ziziphus spina-christi leaves.

Specifications

Synonymes

CHEBI:69188 | A894565 | EC 203-990-4 | Methyl Stearate; Octadecanoic acid methyl ester; Methyl octadecanoate | n-Octadecanoic acid, methyl ester | W-108643 | C18 FAME | DTXSID2047640 | EINECS 203-990-4 | 4-02-00-01216 (Beilstein Handbook Reference) | AC-3

Spécifications et pureté

≥40%

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥40%

Noms et identifiants

Pubchem Sid

508815445

Sourires canoniques

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

Isomères SMILES

CCCCCCCCCCCCCCCCCC(=O)OC

WGK Allemagne

3

RTECS

WI4460000

Poids moléculaire

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
    • Classe Fatty Acyls
      • Subclass Fatty acid esters

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Classe: 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
• Description: 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

Propriétés chimiques et physiques

• Solubilité: Soluble in chloroform. Insoluble in water.
• Point d'éclair (°F): 230.0 °F
• Point d'éclair (°C): 110.0 ℃
• Point d'ébullition (°C): 181-182 °C/4 mmHg
• Point de fusion (°C): 37-41°C
• Poids moléculaire: 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