Methyl oleate - ≥99% , CAS No.112-62-9

CAS: 112-62-9 Cat. No.: M110617 Formula: CH₃(CH₂)₇CH=CH(CH₂)₇CO₂CH₃ Molecular Weight: 296.5 Beilstein Registry Number: MFCD00009578 EC Number: 203-992-5

GRADE & PURITY ≥99%

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 | UNII-1G0G2TK41H |

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Overview

The methyl oleate monolayers at the air-water interface undergoes ozonolysis that results in rapid loss of material throμgh cleavage of the C=C bond and evaporation/dissolution of reaction products.

Specifications

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 | UNII-1G0G2TK41H |

Specifications & Purity

≥99%

Biochemical and Physiological Mechanisms

Methyl oleate is an intermediate in detergents, emulsifiers, wetting agents, stabilizers, textile processing agents, ink plasticizers for replication, rubber, wax, etc. It can also serve as a chromatographic reference standard for biochemical research.

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥99%

Names and Identifiers

• Pubchem Sid: 488195442
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488195442
• Canonical Smiles: 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-
• Isomeric SMILES: CCCCCCCC/C=C\CCCCCCCC(=O)OC
• WGK Germany: 1
• Molecular Weight: 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
    • Class Fatty Acyls
      • Subclass Fatty acid esters

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

Associated Targets(Human)

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Miscible with alcohol, ether and chloroform. Immiscible with water.
• Sensitivity: Heat,Light & Air sensitive
• x_refractive_index: 1.452
• x_flash_point_drop_fahrenheit: 235.4 °F
• x_flash_point_drop_centigrade: 113°C
• x_boil_point_char: 218°C
• x_melt_point_char: -20°C(lit.)
• Molecular Weight: 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