Methyl oleate - analytical standard, ≥99%(GC) , CAS No.112-62-9

CAS: 112-62-9 Cat. No.: M110616 Fórmula: CH₃(CH₂)₇CH=CH(CH₂)₇CO₂CH₃ Peso molecular: 296.5 Beilstein Registry Number: MFCD00009578 Número EC: 203-992-5

CALIDAD & PUREZA Analytical standard, ≥99%(GC)

Synonyms

2,3-dihydropyrane | 9-Octadecenoic acid (Z)-, methyl ester, sulfurized, copper-treated | DTXCID805811 | 1B317D43-CBCA-4348-B5B9-4687B6A3C698 | CH3OCH2CH2OCH3 | DTXSID5025811 | EINECS 262-969-8 | Methyl oleate, tech grade | MFCD00008337 | OLEIC ACID METHYL

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Descripción general

Methyl oleate is a methyl ester of the monounsaturated fatty acid (MUFA), oleic acid, which is abundantly found in dietary fats and oils.

Especificaciones

Sinónimos

2,3-dihydropyrane | 9-Octadecenoic acid (Z)-, methyl ester, sulfurized, copper-treated | DTXCID805811 | 1B317D43-CBCA-4348-B5B9-4687B6A3C698 | CH3OCH2CH2OCH3 | DTXSID5025811 | EINECS 262-969-8 | Methyl oleate, tech grade | MFCD00008337 | OLEIC ACID METHYL

Especificaciones y pureza

analytical standard, ≥99%(GC)

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C,Protected from light,Argon charged

Enviado en

Wet ice

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Grado

Analytical standard

Pureza

≥99%(GC)

Nombres e identificadores

Pubchem Sid

508814472

Sonrisas canónicas

CCCCCCCCC=CCCCCCCCC(=O)OC

IUPAC Name

methyl (Z)-octadec-9-enoate

InChIKey

QYDYPVFESGNLHU-KHPPLWFESA-N

INCHI

1S/C19H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h10-11H,3-9,12-18H2,1-2H3/b11-10-

Isómeros SMILES

CCCCCCCC/C=C\CCCCCCCC(=O)OC

WGK Alemania

1

Peso molecular

296.5

Beilstein

MFCD00009578

Reaxy-Rn

1727036

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1727036&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Clase: 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
• Descripción: 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: fatty acid methyl ester

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

Objetivos asociados (humanos)

AR Tclin Androgen Receptor (11781 Activities)

Discover Target: AR

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

THRB Tclin Thyroid hormone receptor beta-1 (7926 Activities)

Discover Target: THRB

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de acción

Propiedades químicas y físicas

• Sensibilidad: Light & Air sensitive
• Índice de refracción: 1.452
• Punto de inflamación (°F): 235.4 °F
• Punto de inflamación (°C): 113°C
• Punto de ebullición (°C): 218°C
• Punto de fusión (°C): -20°C(lit.)
• Peso molecular: 296.500 g/mol
• XLogP3: 7.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 16
• Exact Mass: 296.272 Da
• Monoisotopic Mass: 296.272 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 246.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1