methyl 12-hydroxyoctadecanoate

• ChemBase编号: 104871
• 分子式: C19H38O3
• 平均质量: 314.50322
• 单一同位素质量: 314.28209508
• SMILES: CCCCCCC(O)CCCCCCCCCCC(=O)OC
• Canonical SMILES: CCCCCCC(CCCCCCCCCCC(=O)OC)O
• InChI: InChI=1S/C19H38O3/c1-3-4-5-12-15-18(20)16-13-10-8-6-7-9-11-14-17-19(21)22-2/h18,20H,3-17H2,1-2H3
• InChIKey: RVWOWEQKPMPWMQ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: methyl 12-hydroxyoctadecanoate
• IUPAC传统名: methyl 12-hydroxyoctadecanoate
• 别名: Methyl 12-hydroxystearate; DL-12-HYDROXYSTEARIC ACID METHYL ESTER; METHYL 12-HYDROXYSTEARATE; 12-Hydroxystearic acid methyl ester; Methyl 12-hydroxyoctadecanoate; Methyl 12-hydroxystearate

登记号

• CAS号: 2420-35-1; 141-23-1; 82008-61-5
• EC号: 205-471-8
• MDL号: MFCD00046706
• PubChem SID: 24895779; 162092013
• PubChem CID: 8840

理论计算性质

• Acid pKa: 18.484173
• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): 5.904896
• LogD (pH = 7.4): 5.904896
• Log P: 5.904896
• 摩尔折射率: 92.7242 cm^3
• 极化性: 37.109238 Å^3
• 极化表面积: 46.53 Å^2
• 可自由旋转的化学键: 17
• 里宾斯基五规则: false

分子性质

安全信息

• 保存条件: 0°C, Store Under Nitrogen
• RTECS编号: WI4200000
• 德国WGK号: 3
• 个人保护装置: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• 保存温度: -20°C

产品相关信息

• 纯度: ≥99% (GC); 99%

详细说明

MP Biomedicals - 05205512

MP Biomedicals Rare Chemical collection

MP Biomedicals - 02157503

Purity: 99%
Crystalline