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丙二醇二辛酸酯 | 7384-98-7

中文名称
丙二醇二辛酸酯
中文别名
——
英文名称
propylene glycol dicaprylate
英文别名
2-octanoyloxypropyl octanoate
丙二醇二辛酸酯化学式
CAS
7384-98-7
化学式
C19H36O4
mdl
——
分子量
328.492
InChiKey
OVYMWJFNQQOJBU-UHFFFAOYSA-N
BEILSTEIN
——
EINECS
——
  • 物化性质
  • 计算性质
  • ADMET
  • 安全信息
  • SDS
  • 制备方法与用途
  • 上下游信息
  • 反应信息
  • 文献信息
  • 表征谱图
  • 同类化合物
  • 相关功能分类
  • 相关结构分类

物化性质

  • 沸点:
    397.7±15.0 °C(Predicted)
  • 密度:
    0.939±0.06 g/cm3(Predicted)
  • LogP:
    6.67
  • 物理描述:
    Clear colourless liquid; Rich fatty fruity aroma
  • 溶解度:
    Practically insoluble or insoluble in water
  • 折光率:
    1.436-1.442

计算性质

  • 辛醇/水分配系数(LogP):
    6.4
  • 重原子数:
    23
  • 可旋转键数:
    17
  • 环数:
    0.0
  • sp3杂化的碳原子比例:
    0.89
  • 拓扑面积:
    52.6
  • 氢给体数:
    0
  • 氢受体数:
    4

安全信息

  • 海关编码:
    2915900090
  • 危险性防范说明:
    P261,P305+P351+P338
  • 危险性描述:
    H302,H315,H319,H335

反应信息

  • 作为产物:
    描述:
    1,2-丙二醇辛酰氯吡啶 作用下, 反应 12.0h, 以49%的产率得到丙二醇二辛酸酯
    参考文献:
    名称:
    Synthesis of diacylglycerol analogues as potential second-messenger antagonists and inhibitors of protein kinase C
    摘要:
    A series of analogues of diacylglycerol has been prepared and tested as inhibitors of protein kinase C (PKC). The diketone analogues, 10-hydroxymethyl-8,13-eicosanedione (24), 10-acetoxymethyl-8,13-eicosanedione (25), and 10-methoxymethyl-8,13-eicosanedione (26) each inhibited PKC activated by 2-0-acetyl-1-0-oleoylglycerol. Compound 24 was the most effective inhibitor of the growth of MR4 and HT29 cells in culture, and 26 was more effective than 24 against HL60 cells.
    DOI:
    10.1016/0008-6215(92)85036-y
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文献信息

  • Nitrogen-containing fused ring compounds and use thereof
    申请人:Hirata Kazuyuki
    公开号:US20070010670A1
    公开(公告)日:2007-01-11
    A URAT1 activity inhibitor containing a nitrogen-containing fused ring compound represented by the following formula [1]: wherein each symbol is as defined in the description. The present invention is useful for the prophylaxis or treatment of pathology showing involvement of uric acid, such as hyperuricemia, gouty tophus, acute gouty arthritis, chronic gouty arthritis, gouty kidney, urolithiasis, renal function disorder, coronary artery disease, ischemic heart disease and the like.
    一种包含氮含有融合环化合物的URAT1活性抑制剂,其化学式如下所示[1]: 其中每个符号如描述中所定义。本发明对于预防或治疗显示尿酸参与的病理学,如高尿酸血症、痛风石、急性痛风性关节炎、慢性痛风性关节炎、痛风性肾脏、尿路结石、肾功能障碍、冠状动脉疾病、缺血性心脏病等方面具有用处。
  • Ester derivatives and medicinal use thereof
    申请人:Hagiwara Atsushi
    公开号:US20060089392A1
    公开(公告)日:2006-04-27
    The present invention relates to an ester represented by the formula [1]: or its pharmaceutically acceptable salt, or use of the same. The compound represented by the formula [1] or its pharmaceutically acceptable salt is useful as an agent for the treatment or prophylaxis of hyperlipidemia or the like, since it disappears very rapidly in the living body and has an excellent MTP inhibitory activity.
    本发明涉及如下公式[1]所示的酯: 或其药用可接受的盐,或其使用。由于公式[1]所示的化合物或其药用可接受的盐在生物体内消失得非常快,并且具有出色的MTP抑制活性,因此它可用作治疗或预防高脂血症等的药物。
  • SUNSCREEN COMPOSITIONS
    申请人:L'OREAL
    公开号:US20040126336A1
    公开(公告)日:2004-07-01
    The present invention relates to improved sunscreen compositions, more preferably to improved sunscreen compositions containing at least one sunscreening agent (sunscreen) and a silicone-polyamide copolymer.
    本发明涉及改进的防晒霜组合物,更具体地涉及至少含有一种防晒剂(防晒剂)和一种-聚酰胺共聚物的改进防晒霜组合物。
  • Carboxylic Acid Compounds and Use Thereof
    申请人:Inoue Teruhiko
    公开号:US20070197512A1
    公开(公告)日:2007-08-23
    Provision of a superior URAT1 activity inhibitor effective for the treatment and the like of a pathology involving uric acid, such as hyperuricemia, gouty tophus, acute gouty arthritis, chronic gouty arthritis, gouty kidney, urinary lithiasis, renal dysfunction, coronary heart disease, ischemic cardiac diseases and the like. A URAT1 activity inhibitor containing a compound represented by the following formula [1] or a pharmaceutically acceptable salt thereof, or a solvate thereof as an active ingredient: wherein each symbol is as defined in the specification.
    提供一种优越的URAT1活性抑制剂,用于治疗与尿酸有关的病理,如高尿酸血症、痛风石、急性痛风性关节炎、慢性痛风性关节炎、痛风性肾病、尿路结石、肾功能障碍、冠心病、缺血性心脏病等。 一种包含下式[1]所表示的化合物或其药学上可接受的盐,或其溶剂化合物的URAT1活性抑制剂作为活性成分: 其中每个符号如规范中定义。
  • AQUEOUS COMPOSITIONS FOR THE TREATMENT OF HAIR
    申请人:Momentive Performance Materials Inc.
    公开号:US20180344619A1
    公开(公告)日:2018-12-06
    The invention relates to aqueous compositions for hair treatment, comprising polyorganosiloxanes A) or organic compounds B) having certain functional groups, in particular aldehyde and unsaturated dicarboxylic acid moieties, hair treatment or hair care compositions comprising the aqueous compositions, a process for the treatment of hair which comprises the steps of providing the aqueous compositions and applying said aqueous compositions to the hair, and the use of the aqueous compositions for the treatment of hair.
    该发明涉及用于头发处理的基组合物,包括聚有机硅氧烷A)或具有特定功能基团的有机化合物B),特别是醛和不饱和二羧酸基团,包括所述基组合物的头发处理或护发组合物,一种用于处理头发的方法,包括提供所述基组合物并将所述基组合物应用于头发的步骤,以及所述基组合物用于处理头发的用途。
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表征谱图

  • 氢谱
    1HNMR
  • 质谱
    MS
  • 碳谱
    13CNMR
  • 红外
    IR
  • 拉曼
    Raman
hnmr
mass
cnmr
ir
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  • 峰位数据
  • 峰位匹配
  • 表征信息
Shift(ppm)
Intensity
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Assign
Shift(ppm)
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测试频率
样品用量
溶剂
溶剂用量
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