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

• ChemBase编号: 132575
• 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/b8-7-,11-10-
• InChIKey: WTTJVINHCBCLGX-NQLNTKRDSA-N

名称和登记号

名称

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

登记号

• CAS号: 112-63-0
• EC号: 203-993-0
• MDL号: MFCD00009534
• Beilstein号: 1727614
• PubChem SID: 24896293; 162226852
• PubChem CID: 5284421

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

• 熔点: -35 °C(lit.)
• 沸点: 192 °C/4 mmHg(lit.)
• 闪点: 113 °C; 235.4 °F
• 密度: 0.889 g/mL at 25 °C(lit.)
• 折射率: n20/D 1.462(lit.)

安全信息

• 德国WGK号: 1
• 个人保护装置: Eyeshields, Gloves
• 保存温度: -20°C

产品相关信息

• 纯度: ≥99% (GC)

详细说明

Sigma Aldrich - L1876

包装
1, 5, 10, 25 g in glass bottle
密封安瓿瓶装
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.