CAS: 109884-54-0; [2,2-Dimethyl-3-(16-Methylheptadecanoyloxy)Propyl] 16-Methylheptadecanoate

• 英文名称[2,2-Dimethyl-3-(16-Methylheptadecanoyloxy)Propyl] 16-Methylheptadecanoate
• 中文名称新戊二醇二异硬脂酸酯
• IUPAC名称[2,2-dimethyl-3-(16-methylheptadecanoyloxy)propyl] 16-methylheptadecanoate
• 其它别名Iso°Ctadecanoicacid, 2,2-dimethyl-1,3-propanediyl ester (9CI); Neopentyl glycoldiiso°Ctadecanoate; Neopentyl glycol diisostearate
• CAS编号109884-54-0
• FDA UNII编号:4M6OQ34JWW
• 分子式:C41H80O4分子量:637.0715
• 产品CID: 137508
• 产品分类有机原料 → 脂质和类脂质分子 → 脂肪酰基

• 相似结构搜索
• InChIKey: IPEFYHDRBHOTTP-UHFFFAOYNA-N
• 1S/C41H80O4/c1-37(2)31-27-23-19-15-11-7-9-13-17-21-25-29-33-39(42)44-35-41(5,6)36-45-40(43)34-30-26-22-18-14-10-8-12-16-20-24-28-32-38(3)4/h37-38H,7-36H2,1-6H3
• 计算化学: 氢键受体数4.0氢键供体数0.0可旋转键数36.0

物理性质

• 沸点400°C at 101.3kPa
• 密度0.879-0.899g/cm3 at 20-50°C
• LogP:18
• 蒸汽压0-0Pa at 20°C

MSDS等安全信息

• 危险描述Not Classified
  Reported as not meeting GHS hazard criteria by 10 of 10 companies. For more detailed information, please visit ECHA C&L website.
• 安全声明Safe in the present practices of use and concentration. Ingredient, concentration, and use information are available in documents discoverable at https://cir-reports.cir-safety.org

合成工艺路线路线简述

海关参考信息

• 2905121000-正丙醇
  2905399001-1,3-丙二醇
  2909110000-乙醚
  2912110000-甲醛
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其他信息查阅

• ➥ 象形图和危险代码
• ➥ 防范代码详解
• ➥ 危险代码说明
• ➥ Globally Harmonized System
• ➥ REACH监管