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

• ChemBase编号: 102245
• 分子式: C19H34O2
• 平均质量: 294.47206
• 单一同位素质量: 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

名称和登记号

名称

• IUPAC标准名: methyl (9E,12E)-octadeca-9,12-dienoate; methyl octadeca-9,12-dienoate
• IUPAC传统名: methyl (9E,12E)-octadeca-9,12-dienoate; methyl octadeca-9,12-dienoate
• 别名: 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; 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

登记号

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

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 6.567771
• LogD (pH = 7.4): 6.567771
• Log P: 6.567771
• 摩尔折射率: 93.2879 cm^3
• 极化性: 36.036095 Å^3
• 极化表面积: 26.3 Å^2
• 可自由旋转的化学键: 15
• 里宾斯基五规则: false

分子性质

理化性质

• 外观: liquid
• 熔点: > -35°C; -35 °C(lit.); -35°C
• 沸点: 192 °C/4 mmHg(lit.); 192°C @ 4mm; 207-208°C/11mm
• 闪点: 113 °C; 200°C(392°F); 235.4 °F
• 密度: 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.)
• 折射率: 1.4640; n20/D 1.462; n20/D 1.462(lit.)

安全信息

• 保存条件: 0°C; 0°C, Store Under Nitrogen, Protect from light
• 德国WGK号: 1
• TSCA收录: 是
• 个人保护装置: Eyeshields, Gloves
• 保存温度: -20°C; 2-8°C

产品相关信息

• 纯度: ≥99%; ≥97.0% (GC); ≥98.5% (GC); ≥99% (GC); ≥99.0% (GC); 99%
• 级别: analytical standard; TECHNICAL
• 有效期: (limited shelf life, expiry date on the label)
• 品质说明: natural
• 线性分子式: CH3(CH2)3(CH2CH=CH)2(CH2)7CO2CH3
• Empirical Formula (Hill Notation): C19H34O2

详细说明

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.