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2,2,7,7-四甲基-5,6-环氧三环[2.2.1.01,6]十一烷 | 67999-56-8

中文名称
2,2,7,7-四甲基-5,6-环氧三环[2.2.1.01,6]十一烷
中文别名
环氧异长叶烯
英文名称
octahydro-4,4,8,8-tetramethyl-4a,7-methano-4aH-naphth[1,8ab]oxirene
英文别名
isolongifolene epoxide;8,8a-epoxy-1,1,5,5-tetramethyl-octahydro-2,4a-methano-naphthalene;Isolongifolen-epoxid;4a,7-Methano-4aH-naphth[1,8a-b]oxirene, octahydro-4,4,8,8-tetramethyl-;2,2,8,8-tetramethyl-6-oxatetracyclo[7.2.1.01,7.05,7]dodecane
2,2,7,7-四甲基-5,6-环氧三环[2.2.1.01,6]十一烷化学式
CAS
67999-56-8
化学式
C15H24O
mdl
——
分子量
220.355
InChiKey
VQHLGZRKOZIABH-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:
    259.2±8.0 °C(Predicted)
  • 密度:
    1.04±0.1 g/cm3(Predicted)
  • LogP:
    4.225 (est)
  • 保留指数:
    1544

计算性质

  • 辛醇/水分配系数(LogP):
    3.8
  • 重原子数:
    16
  • 可旋转键数:
    0
  • 环数:
    4.0
  • sp3杂化的碳原子比例:
    1.0
  • 拓扑面积:
    12.5
  • 氢给体数:
    0
  • 氢受体数:
    1

反应信息

  • 作为产物:
    描述:
    isolongifolene过氧乙酸 以to give isolongifolene oxide (2) (Tetrahedron Lett. 1964, 8, 417; J. Org. Chem. 1970, 35, 1172)的产率得到2,2,7,7-四甲基-5,6-环氧三环[2.2.1.01,6]十一烷
    参考文献:
    名称:
    Process for the preparation of isolongifolanol
    摘要:
    本发明涉及制备化合物isolongifolanol(IUPAC名称:2,2,7,7-四甲基三环[6.2.1.01,6]十一烷-6-醇)和isolongifolenol(IUPAC名称:2,2,7,7-四甲基三环[6.2.1.01,6]十一烯-6-醇),并将其用作香料或香气物质。
    公开号:
    US06566562B2
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文献信息

  • Oxygen Containing Tri- or Tetra-Cyclic Terpenoid Compounds
    申请人:Bajgrowicz Jerzy A.
    公开号:US20080248990A1
    公开(公告)日:2008-10-09
    The use as fragrance ingredient of a compound of formula (I) wherein R 1 and Y have the same meaning as given in the description, and fragrance applications comprising them.
    化合物式(I)中R1和Y的含义与描述中给出的相同,可用作香料成分,并且包括它们的香料应用。
  • Pro-fragrance composition
    申请人:AQDOT LIMITED
    公开号:US10695277B2
    公开(公告)日:2020-06-30
    A pro-fragrance composition includes a cucurbituril in complex with a fragrance molecule and use of the compositions in counteracting malodour. The cucurbituril is present as a mixture, wherein the mixture includes at least two different cucurbiturils selected from CB[5], CB[6], CB[7] and CB[8]. The complexed fragrance molecule is released when the composition is exposed to a stimulus. Also provides methods for the preparation of pro-fragrance complexes of cucurbiturils and fragrance molecules.
    一种促香组合物包括葫芦素与香味分子的复合物,该组合物用于对抗恶臭。葫芦素以混合物的形式存在,其中混合物包括至少两种选自 CB[5]、CB[6]、CB[7] 和 CB[8] 的不同葫芦素。当组合物受到刺激时,络合的香味分子就会释放出来。还提供了葫芦素和香味分子的原香味复合物的制备方法。
  • Air freshening device
    申请人:Givaudan, S.A.
    公开号:US10925992B2
    公开(公告)日:2021-02-23
    An air freshening device is provided. The device includes a water-based fragrance emitter including water, a water absorbing polymer and a fragrance composition. The fragrance composition includes from about 3% to about 70% by weight of at least one fragrance ingredient exhibiting a standard equilibrium headspace concentration (HSi0) below about 100 μg/L. The water-based fragrance emitter provides a working signal and an end of life signal upon evaporation. The air freshening device is a warming device.
    提供了一种空气清新装置。该装置包括水基香味散发器,其中包括水、吸水聚合物和香味组合物。香味组合物包括约 3% 至约 70% (按重量计)的至少一种香味成分,其标准平衡顶空浓度 (HSi0) 低于约 100 μg/L。水基香味散发器在蒸发时提供工作信号和寿命终止信号。空气清新装置是一种加温装置。
  • Organic compounds
    申请人:GIVAUDAN SA
    公开号:US11332693B2
    公开(公告)日:2022-05-17
    A perfume composition is described which is a suitable replacement in perfumery applications for the compound 2-(2,4-dimethylcyclohex-3-en-1-yl)-5-methyl-5-(1-methylpropyl)-1,3-dioxane.
    描述了一种香水组合物,它可以在香水应用中替代化合物 2-(2,4-二甲基环己-3-烯-1-基)-5-甲基-5-(1-甲基丙基)-1,3-二氧杂环戊烷。
  • Cobalt-catalyzed oxidation of terpenes: Co-MCM-41 as an efficient shape-selective heterogeneous catalyst for aerobic oxidation of isolongifolene under solvent-free conditions
    作者:Patricia A. Robles-Dutenhefner、Kelly A. da Silva Rocha、Edésia M.B. Sousa、Elena V. Gusevskaya
    DOI:10.1016/j.jcat.2009.04.012
    日期:2009.7
    Cobalt-containing MCM-41 was used as a heterogeneous catalyst for the liquid-phase aerobic oxidation of isolongifolene, one of the most available sesquiterpenes. The material was prepared by direct incorporation of cobalt into the framework through the hydrothermal method, and was characterized by ICPAES, N-2 adsorption-desorption. TEM, XRD, SAXS, XPS, and H-2-TPR techniques. Characterizations suggest that cobalt introduced into MCM-41 exists mainly in a single-site Co2+ state, whereas the amounts of the extraframework Co3O4 are relatively low. The oxidation of isolongifolene under mild solvent-free conditions results mainly (90% selectivity) in isolongifolen-9-one, a compound which occupies a vintage place in modern perfume industry. The total concentration of oxygenated products in the final mixtures reaches 90 wt%. The catalyst undergoes no metal leaching, and can be easily recovered and re-used. A silica-included cobalt catalyst prepared through a conventional sol-gel method shows a catalytic activity comparable with that of Co-MCM-41; however, selectivity is much lower. (C) 2009 Elsevier Inc. All rights reserved.
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表征谱图

  • 氢谱
    1HNMR
  • 质谱
    MS
  • 碳谱
    13CNMR
  • 红外
    IR
  • 拉曼
    Raman
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mass
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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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