methyl (12R)-12-hydroxyoctadec-9-enoate

• ChemBase编号: 104594
• 分子式: C19H36O3
• 平均质量: 312.48734
• 单一同位素质量: 312.26644501
• SMILES: O=C(OC)CCCCCCC/C=C/C[C@H](O)CCCCCC
• Canonical SMILES: CCCCCC[C@H](C/C=C/CCCCCCCC(=O)OC)O
• InChI: InChI=1S/C19H36O3/c1-3-4-5-12-15-18(20)16-13-10-8-6-7-9-11-14-17-19(21)22-2/h10,13,18,20H,3-9,11-12,14-17H2,1-2H3/b13-10+/t18-/m1/s1
• InChIKey: XKGDWZQXVZSXAO-LVMGUKCRSA-N

名称和登记号

名称

• IUPAC标准名: methyl (12R)-12-hydroxyoctadec-9-enoate; methyl (9E,12R)-12-hydroxyoctadec-9-enoate
• IUPAC传统名: methyl (12R)-12-hydroxyoctadec-9-enoate; methyl (9E,12R)-12-hydroxyoctadec-9-enoate
• 别名: (R)-12-羟基-顺式-9-十八烯酸甲酯; 12-羟基油酸甲酯; 蓖麻油酸甲酯; 蓖麻油酸甲酯; (R)-12-Hydroxy-cis-9-octadecenoic acid methyl ester; Methyl 12-hydroxyoleate; Ricinoleic acid methyl ester; Methyl ricinoleate; Methyl trans-12-hydroxy-9-octadecenoate; Ricinelaidic acid methyl ester; Methyl ricinelaidate; Methyl ricinelaidate; RICINELAIDIC ACID METHYL ESTER

登记号

• CAS号: 7706-01-6; 141-24-2
• EC号: 205-472-3
• MDL号: MFCD00069621; MFCD00046712
• Beilstein号: 6132055; 1728452
• PubChem SID: 24888157; 24899406; 162092267
• PubChem CID: 6507945

理论计算性质

• Acid pKa: 18.401257
• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): 5.542974
• LogD (pH = 7.4): 5.542974
• Log P: 5.542974
• 摩尔折射率: 93.8408 cm^3
• 极化性: 36.869938 Å^3
• 极化表面积: 46.53 Å^2
• 可自由旋转的化学键: 16
• 里宾斯基五规则: false

分子性质

理化性质

• 外观: liquid

安全信息

• 保存条件: 0°C
• 德国WGK号: 3
• 个人保护装置: Eyeshields, Gloves; Eyeshields, Gloves, half-mask respirator (US), multi-purpose combination respirator cartridge (US)
• 保存温度: -20°C

产品相关信息

• 纯度: ≥99% (GC); ≥99.0% (GC); 99%
• 级别: analytical standard
• 有效期: (limited shelf life, expiry date on the label)
• Empirical Formula (Hill Notation): C19H36O3

详细说明

MP Biomedicals - 02156551

Purity: 99%
Liquid

Sigma Aldrich - R8500

包装
Sealed ampule