摩熵化学
数据库官网
小程序
打开微信扫一扫
首页 分子通 化学资讯 化学百科 反应查询 关于我们
请输入关键词

庚酸-3-甲丁酯 | 109-25-1

中文名称
庚酸-3-甲丁酯
中文别名
——
英文名称
3-methylbutyl heptanoate
英文别名
isopentyl heptanoate;Oenanthsaeure-3-methyl-butyl-ester;heptanoic acid 3-methyl-butyl ester
庚酸-3-甲丁酯化学式
CAS
109-25-1
化学式
C12H24O2
mdl
MFCD00672766
分子量
200.321
InChiKey
AFCXVDRTNQNGHS-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:
    231.9±8.0 °C(Predicted)
  • 密度:
    0.869±0.06 g/cm3(Predicted)
  • LogP:
    4.705 (est)
  • 保留指数:
    1334;1333

计算性质

  • 辛醇/水分配系数(LogP):
    4.3
  • 重原子数:
    14
  • 可旋转键数:
    9
  • 环数:
    0.0
  • sp3杂化的碳原子比例:
    0.916
  • 拓扑面积:
    26.3
  • 氢给体数:
    0
  • 氢受体数:
    2

安全信息

  • 海关编码:
    2915900090

反应信息

  • 作为产物:
    描述:
    异戊醇庚酸硫酸 作用下, 以 为溶剂, 生成 庚酸-3-甲丁酯
    参考文献:
    名称:
    Lenne,H.-U. et al., Chemische Berichte, 1968, vol. 101, p. 2435 - 2444
    摘要:
    DOI:
点击查看最新优质反应信息

文献信息

  • COMPOSITION CONTAINING REDUCED COENZYME Q10, AND MANUFACTURING AND STABILISING METHODS THEREFOR
    申请人:Yamaguchi Takao
    公开号:US20130142767A1
    公开(公告)日:2013-06-06
    The present invention relates to a method of producing reduced coenzyme Q10, including reducing oxidized coenzyme Q10 using a reducing agent in terpenes that can highly dissolve oxidized coenzyme Q10 and reduced coenzyme Q10 in the co-existence of at least one kind of additive selected from the group consisting of alcohols, water, a surfactant and diacylglycerol. In addition, the present invention relates to a composition comprising terpenes, a reducing agent, reduced coenzyme Q10 and at least one kind selected from the group consisting of alcohols, water, a surfactant and diacylglycerol, and a method of stabilizing reduced coenzyme Q10 comprising preparing the composition.
    本发明涉及一种生产还原辅酶Q10的方法,包括使用一种在萜烯中高度溶解氧化辅酶Q10和还原辅酶Q10的还原剂,同时存在至少一种来自醇类、水、表面活性剂和二酰基甘油组的添加剂。此外,本发明涉及一种组合物,包括萜烯、还原剂、还原辅酶Q10和至少一种来自醇类、水、表面活性剂和二酰基甘油组的选择性添加剂,以及一种稳定还原辅酶Q10的方法,包括制备该组合物。
  • Method and system for providing a heat-not-burn tobacco product
    申请人:Sebastian Andries Don
    公开号:US11083215B2
    公开(公告)日:2021-08-10
    A heat-not-burn tobacco aerosol source member or consumable includes a first heating section with a front end. The first heating section contains a liquid aerosol precursor existing as a free liquid in an unbound form. A second heating section is provided with a mouth end. The second heating section contains a solid tobacco substrate. A first thermal barrier that is vapor permeable but liquid impermeable is located between the first heating section and the second heating section. The system has a simple structure and lowers processing costs, and greatly reduces undesirable harmful chemicals because of its lower heating temperatures for the first and second heating sections of the consumable.
    一种加热不燃烧烟草气溶胶源部件或消耗品包括一个带有前端的第一加热段。第一加热部分包含以未结合形式存在的自由液体气溶胶前体。第二加热部分具有口端。第二加热段包含固体烟草基质。在第一加热段和第二加热段之间有一个可渗透蒸汽但不可渗透液体的第一隔热层。该系统结构简单,降低了加工成本,并且由于其第一和第二加热段的加热温度较低,大大减少了有害化学物质。
  • COMPOSITIONS AND METHODS FOR IDENTIFYING LIGANDS OF ODORANT RECEPTORS
    申请人:Matsunami Hiroaki
    公开号:US20100248390A1
    公开(公告)日:2010-09-30
    The present invention relates to compositions and methods for identifying odorant-odorant receptor interactions. In particular, the present invention relates to in silico methods for identifying odorant receptor-odorant interactions based on chemical and physical properties of odorant receptors and odorants.
  • METHOD AND SYSTEM FOR PROVIDING A HEAT-NOT-BURN TOBACCO PRODUCT
    申请人:SEBASTIAN ANDRIES DON
    公开号:US20210177046A1
    公开(公告)日:2021-06-17
    A heat-not-burn tobacco aerosol source member or consumable includes a first heating section with a front end. The first heating section contains a liquid aerosol precursor existing as a free liquid in an unbound form. A second heating section is provided with a mouth end. The second heating section contains a solid tobacco substrate. A first thermal barrier that is vapor permeable but liquid impermeable is located between the first heating section and the second heating section. The system has a simple structure and lowers processing costs, and greatly reduces undesirable harmful chemicals because of its lower heating temperatures for the first and second heating sections of the consumable.
  • Lenne,H.-U. et al., Chemische Berichte, 1968, vol. 101, p. 2435 - 2444
    作者:Lenne,H.-U. et al.
    DOI:——
    日期:——
查看更多

表征谱图

  • 氢谱
    1HNMR
  • 质谱
    MS
  • 碳谱
    13CNMR
  • 红外
    IR
  • 拉曼
    Raman
hnmr
mass
cnmr
ir
查看更多图谱数据,请前往“摩熵化学”平台
  • 峰位数据
  • 峰位匹配
  • 表征信息
Shift(ppm)
Intensity
查看更多图谱数据,请前往“摩熵化学”平台
Assign
Shift(ppm)
查看更多图谱数据,请前往“摩熵化学”平台
测试频率
样品用量
溶剂
溶剂用量
查看更多图谱数据,请前往“摩熵化学”平台