methyl (9E,12E)-octadeca-9,12-dienoate

• ChemBase ID: 102245
• Molecular Formular: C19H34O2
• Molecular Mass: 294.47206
• Monoisotopic Mass: 294.25588033
• SMILES: CCCCC/C=C/C/C=C/CCCCCCCC(=O)OC
• Canonical SMILES: CCCCC/C=C/C/C=C/CCCCCCCC(=O)OC
• InChI: InChI=1S/C19H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h7-8,10-11H,3-6,9,12-18H2,1-2H3
• InChIKey: WTTJVINHCBCLGX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl (9E,12E)-octadeca-9,12-dienoate; methyl octadeca-9,12-dienoate
• IUPAC Traditional name: methyl (9E,12E)-octadeca-9,12-dienoate; methyl octadeca-9,12-dienoate
• Synonyms: Methyl cis,cis-octadeca-9,12-dienoate; Methyl linolelaidate; Linolelaidic acid methyl ester; Methyl trans,trans-9,12-octadecadienoate; Linoleic acid methyl ester; Methyl cis,cis-9,12-octadecadienoate; Methyl linoleate; Methyl linolelaidate; LINOLELAIDIC ACID METHYL ESTER; 9,12-Octadecanoic acid methyl ester; Methyl linoleate; LINOLEIC ACID METHYL ESTER; METHYL LINOLEATE TECHNICAL GRADE; 反,反-9,12-十八碳二烯酸甲酯; 反亚油酸甲酯; 甲基反亚油酸酯; (Z,Z)-9,12-十八烷二烯酸甲酯; 十八烷二烯酸甲酯; 亚油酸甲酯

Database IDs

• CAS Number: 112-63-0; 2566-97-4
• EC Number: 203-993-0; 219-901-7
• MDL Number: MFCD00069997; MFCD00009534
• Beilstein Number: 1727614; 1727615
• Merck Index: 146095
• PubChem SID: 24882197; 24896306; 24882207; 162088687
• PubChem CID: 5362793

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 6.567771
• LogD (pH = 7.4): 6.567771
• Log P: 6.567771
• Molar Refractivity: 93.2879 cm^3
• Polarizability: 36.036095 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 15
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Apperance: liquid
• Melting Point: > -35°C; -35 °C(lit.); -35°C
• Boiling Point: 192 °C/4 mmHg(lit.); 192°C @ 4mm; 207-208°C/11mm
• Flash Point: 113 °C; 200°C(392°F); 235.4 °F
• Density: 0.88 g/ml; 0.88 g/mL at 25 °C(lit.); 0.888; 0.889 g/ml; 0.889 g/mL at 25 °C(lit.)
• Refractive Index: 1.4640; n20/D 1.462; n20/D 1.462(lit.)

Safety Information

• Storage Condition: 0°C; 0°C, Store Under Nitrogen, Protect from light
• German water hazard class: 1
• TSCA Listed: 是
• Personal Protective Equipment: Eyeshields, Gloves
• Storage Temperature: -20°C; 2-8°C

Product Information

• Purity: ≥99%; ≥97.0% (GC); ≥98.5% (GC); ≥99% (GC); ≥99.0% (GC); 99%
• Grade: analytical standard; TECHNICAL
• Shelf Life: (limited shelf life, expiry date on the label)
• Quality: natural
• Linear Formula: CH3(CH2)3(CH2CH=CH)2(CH2)7CO2CH3
• Empirical Formula (Hill Notation): C19H34O2

DETAILS

MP Biomedicals - 02155241

(Methyl linolelaidate) Purity: 99% Sealed ampule (liquid). 1 ml = approx. 0.88 g

MP Biomedicals - 02100807

Purity: 99+%
1 ml = approx. 0.89 g

Sigma Aldrich - L2251

包装
Sealed ampule

Sigma Aldrich - 62280

Application
The oxidation of methyl linoleate in organic solution and phosphatidylcholine (PC) in liposomal membranes induced by an azo initiator has often been used as a model for lipid peroxidation in vivo 1.
General description
Methyl linoleate, non-conjugated, is more easily oxidized than conjugated methyl linoleate 2.

Sigma Aldrich - 62290

Application
The oxidation of methyl linoleate in organic solution and phosphatidylcholine (PC) in liposomal membranes induced by an azo initiator has often been used as a model for lipid peroxidation in vivo 1.
General description
Methyl linoleate, non-conjugated, is more easily oxidized than conjugated methyl linoleate 2.