octadeca-10,12-dienoic acid

• ChemBase编号: 156449
• 分子式: C18H32O2
• 平均质量: 280.44548
• 单一同位素质量: 280.24023026
• SMILES: CCCCC/C=C/C=C/CCCCCCCCC(=O)O
• Canonical SMILES: CCCCC/C=C/C=C/CCCCCCCCC(=O)O
• InChI: InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-9H,2-5,10-17H2,1H3,(H,19,20)
• InChIKey: GKJZMAHZJGSBKD-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: octadeca-10,12-dienoic acid; (10E,12E)-octadeca-10,12-dienoic acid
• IUPAC传统名: 10,12-octadecadienoic acid; (10E,12E)-octadeca-10,12-dienoic acid
• 别名: (10E,12Z)-10,12-十八碳二烯酸; 亚油酸(10-反式，12-顺式); 共轭(10E,12Z)-亚油酸 溶液; 共轭(10E,12Z)-亚油酸; 10E,Z12-CLA; (10E,12Z)-10,12-Octadecadienoic acid; Linoleic acid (10-trans, 12-cis); Conjugated (10E,12Z)-Linoleic acid solution; Conjugated (10E,12Z)-Linoleic acid; Linoleic Acid, Conjugated, CLA; Octadecadienic Acid Conjugated; Conjugated Linoleic Acid, 90%(Mixture of Isomers)

登记号

• CAS号: 22880-03-1; 2420-56-6
• MDL号: MFCD02259040
• PubChem SID: 24890025; 162250587
• PubChem CID: 5282801

理论计算性质

• Acid pKa: 5.0211167
• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): 5.818881
• LogD (pH = 7.4): 4.07085
• Log P: 6.421877
• 摩尔折射率: 88.5188 cm^3
• 极化性: 33.928547 Å^3
• 极化表面积: 37.3 Å^2
• 可自由旋转的化学键: 14
• 里宾斯基五规则: false

分子性质

理化性质

• 溶解度: DMSO; Ethanol
• 外观: Clear Colourless Liquid

安全信息

• 保存条件: Refrigerator, Under Inert Atmosphere
• 欧盟危险性物质标志: 易燃性(Flammable) (F); 有毒(Toxic) (T)
• 联合国危险货物编号: 1230
• 德国WGK号: 1; 3
• 联合国危险货物等级: 3
• 联合国危险货物包装类别(PG): 2
• 危险公开号: 11-23/24/25-39/23/24/25
• 安全公开号: 16-36/37-45
• 个人保护装置: Eyeshields, Gloves
• RID/ADR: UN 1230 3/PG 2
• 保存温度: -20°C

药理学性质

• 相关基因信息: mouse ... Pparg(19016)

产品相关信息

• 纯度: ≥96.0% (HPLC); ≥97.0% (HPLC)
• 浓度: 10 mg/mL in ethanol
• 级别: analytical standard
• 有效期: (limited shelf life, expiry date on the label)
• Empirical Formula (Hill Notation): C18H32O2

详细说明

Toronto Research Chemicals - C685000

CLA is a collective term used for a mixture of geometric and positional isomers of Octadecadienoic Acid in which the double bonds are conjugated instead of being methylene separted as they are in Linoleic Acid. CLA has reported to exhibit anticarcinogent

参考文献

• Pariza, M.W., et al.: Carcinogenesis, 6, 591 (1985)
• Ip, C., at al.: Carcinogenesis, 17, 1045 (1985)
• Kritchevsky, D. and Czarnecki, S.K.: Chimica Oggi/Chemistry Today, June 2001, Pariza, M.M., et al.: Adv. Exp. Med. Biol., 289, 269 (1985)