[4’-戊基-1,1’-二环己基]-4-酮 | 84868-02-0

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: [4’-戊基-1,1’-二环己基]-4-酮
• 中文别名: [4'-戊基-1,1'-二环己基]-4-酮；4-戊双环己基-4-酮
• 英文名称: trans-4'-pentyl-(1,1'-bi-cyclohexane)-4-one
• 英文别名: 4'-pentyl-[1,1'-bi(cyclohexyl)]-4-one；4-(4-pentylcyclohexyl)cyclohexan-1-one；4-(4-pentylcyclohexyl)-cyclohexanone；4'-pentylbicyclohexyl-4-one
• CAS: 84868-02-0；87625-10-3
• 化学式: C₁₇H₃₀O
• 分子量: 250.425
• InChiKey: OZLFNAZSDVXEFU-UHFFFAOYSA-N

物化性质

• 沸点：
  341.6±10.0 °C(Predicted)
• 密度：
  0.926

计算性质

• 辛醇/水分配系数(LogP)：
  5.8
• 重原子数：
  18
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.94
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

安全信息

• 海关编码：
  2914299000
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: trans-4’-Pentylbi(cyclohexan)-4-one
Synonyms: trans-4-(4-Pentylcyclohexyl)cyclohexan-1-one

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Section 2. Hazards identification
Harmful by inhalation, in contact with skin, and if swallowed.

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Section 3. Composition/information on ingredients.
Ingredient name: trans-4’-Pentylbi(cyclohexan)-4-one
CAS number: 84868-02-0

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Section 4. First aid measures
Skin contact: Immediately wash skin with copious amounts of water for at least 15 minutes while removing
contaminated clothing and shoes. If irritation persists, seek medical attention.
Eye contact: Immediately wash skin with copious amounts of water for at least 15 minutes. Assure adequate
flushing of the eyes by separating the eyelids with fingers. If irritation persists, seek medical
attention.
Inhalation: Remove to fresh air. In severe cases or if symptoms persist, seek medical attention.
Ingestion: Wash out mouth with copious amounts of water for at least 15 minutes. Seek medical attention.

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Section 5. Fire fighting measures
In the event of a fire involving this material, alone or in combination with other materials, use dry
powder or carbon dioxide extinguishers. Protective clothing and self-contained breathing apparatus
should be worn.

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Section 6. Accidental release measures
Personal precautions: Wear suitable personal protective equipment which performs satisfactorily and meets local/state/national
standards.
Respiratory precaution: Wear approved mask/respirator
Hand precaution: Wear suitable gloves/gauntlets
Skin protection: Wear suitable protective clothing
Eye protection: Wear suitable eye protection
Methods for cleaning up: Mix with sand or similar inert absorbent material, sweep up and keep in a tightly closed container
for disposal. See section 12.
Environmental precautions: Do not allow material to enter drains or water courses.

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Section 7. Handling and storage
Handling: This product should be handled only by, or under the close supervision of, those properly qualified
in the handling and use of potentially hazardous chemicals, who should take into account the fire,
health and chemical hazard data given on this sheet.
Store in closed vessels.
Storage:

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Section 8. Exposure Controls / Personal protection
Engineering Controls: Use only in a chemical fume hood.
Personal protective equipment: Wear laboratory clothing, chemical-resistant gloves and safety goggles.
General hydiene measures: Wash thoroughly after handling. Wash contaminated clothing before reuse.

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Section 9. Physical and chemical properties
Appearance: Not specified
Boiling point: No data
No data
Melting point:
Flash point: No data
Density: No data
Molecular formula: C17H30O
Molecular weight: 250.4

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Section 10. Stability and reactivity
Conditions to avoid: Heat, flames and sparks.
Materials to avoid: Oxidizing agents.
Possible hazardous combustion products: Carbon monoxide.

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Section 11. Toxicological information
No data.

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Section 12. Ecological information
No data.

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Section 13. Disposal consideration
Arrange disposal as special waste, by licensed disposal company, in consultation with local waste
disposal authority, in accordance with national and regional regulations.

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Section 14. Transportation information
Non-harzardous for air and ground transportation.

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Section 15. Regulatory information
No chemicals in this material are subject to the reporting requirements of SARA Title III, Section
302, or have known CAS numbers that exceed the threshold reporting levels established by SARA
Title III, Section 313.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  [4’-戊基-1,1’-二环己基]-4-酮 在 N-溴代丁二酰亚胺(NBS) 、 偶氮二甲酸二异丙酯 、 palladium on activated charcoal 、 氢气 、 sodium carbonate 、 magnesium 、 三乙胺 、 二异丙胺 、 三苯基膦 、 palladium dichloride 、 2-二环己基磷-2',6'-二异丙氧基-1,1'-联苯 作用下， 以 四氢呋喃 、 二氯甲烷 、 水 为溶剂， 20.0~80.0 ℃ 、101.33 kPa 条件下， 反应 122.5h， 生成 3-(2-{4-[(tert-butyldimethylsilyl)oxy]-3-{[(tert-butyldimethylsilyl)oxy]methyl}butoxy}-3-(3-hydroxypropyl)-5-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl)propan-1-ol
  参考文献：
  名称：

  液晶媒体のホメオトロピック配向のための化合物

  摘要：

  提供液晶媒体的同向向列的化合物。本发明涉及包含低分子量组分和聚合性组分的液晶介质（LC介质：液晶介质）。聚合性组分包括在液晶显示器（LC显示器：液晶显示器）的表面或单元壁上具有对LC介质的同向向列（垂直）效果的自组向性聚合性介向体（聚合性自组向添加剂）。因此，本发明还包括具有LC介质的同向向列的LC显示器，无需用于同向向列的定向层。本发明揭示了有关聚合性自组向添加剂的新结构。【选择图】无

  公开号：

  JP2018090569A
• 作为产物：
  描述：

  4-(4-Pentylcyclohexyl)cyclohex-2-en-1-one 以98%的产率得到
  参考文献：
  名称：

  SUCROW, WOLFGANG;RADECKER, GUNTER, CHEM. BER., 121,(1988) N 2, 219-224

  摘要：

  DOI：

文献信息

• POLYMERIZABLE COMPOUND, AND LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE USING THE SAME
  申请人：DIC Corporation

  公开号：US20210214299A1

  公开（公告）日：2021-07-15

  The present invention provides a compound represented by formula (i), a liquid crystal composition using the compound, and a liquid crystal display device using the liquid crystal composition. The compound represented by formula (i) has a partial structure K i1 represented by any of general formulas (K-1) to (K-17) and further has ring B having at least two P-Sp- groups. Therefore, when used for a liquid crystal composition, the compound adsorbs to substrates sandwiching the liquid crystal composition (liquid crystal layer) and allows liquid crystal molecules to be held such that they are aligned in a vertical direction without a PI layer, and improved alignment stability and low-temperature storage stability can be achieved.

  本发明提供了一种由式（i）表示的化合物，使用该化合物的液晶组合物，以及使用该液晶组合物的液晶显示装置。式（i）表示的化合物具有由一般式（K-1）至（K-17）中的任何一个表示的部分结构Ki1，并且进一步具有至少两个P-Sp-基团的环B。因此，当用于液晶组合物时，该化合物吸附到夹持液晶组合物（液晶层）的基板上，并允许液晶分子被保持，使它们在垂直方向上对齐而无需PI层，并且可以实现改善的对齐稳定性和低温储存稳定性。
• プロトン輸送化合物、プロトン輸送材料組成物、電子デバイス及びプロトン輸送用電解質膜
  申请人：ウシオケミックス株式会社

  公开号：JP2015105241A

  公开（公告）日：2015-06-08

  【課題】広い温度範囲において液晶相を維持することが可能で、それゆえ広い温度範囲において機能するプロトン輸送化合物、プロトン輸送材料組成物、並びに当該化合物又は組成物を使用した各種電子デバイスを提供すること。【解決手段】下記一般式（１）で示されるプロトン輸送化合物。【選択図】なし

  能够在广泛的温度范围内维持液晶相，并因此在广泛的温度范围内运作的质子传输化合物、质子传输材料组合物，以及提供使用该化合物或组合物的各种电子设备。 通过以下一般式（1）表示的质子传输化合物。【选择图】无
• 聚合性极性化合物、液晶组合物及液晶显示元 件
  申请人：捷恩智株式会社

  公开号：CN107108457B

  公开（公告）日：2021-09-28

  本发明涉及一种聚合性极性化合物、液晶组合物及液晶显示元件。本发明提供的极性化合物，其具有高的化学稳定性、高的使液晶分子取向的能力及在液晶组合物中的高溶解度，而且在用于液晶显示元件中的情形时的电压保持率大。设为式(1)所表示的化合物。例如R1为碳数1～15的烷基；MES为具有至少一个环的液晶原基；Sp1为单键或碳数1～10的亚烷基；M1及M2为氢；R2为式(1a)～式(1c)所表示的基团：Sp2及Sp3为单键或碳数1～10的亚烷基；S1为＞CH‑；S2为＞C＜；X1为‑OH。
• LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE
  申请人：KOBAYASHI Masahide

  公开号：US20120193577A1

  公开（公告）日：2012-08-02

  The invention provides a liquid crystal compound having a high stability to heat, light or the like, a wide temperature range of a nematic phase, a small viscosity, a suitable optical anisotropy, a large elastic constant K 33 , a large negative dielectric anisotropy and an excellent compatibility with other liquid crystal compounds. The invention provides a liquid crystal composition having characteristics similar to these of the compound. The invention provides a liquid crystal display device having a short response time, low electric power consumption, a low driving voltage, a large contrast and a wide temperature range in which the device can be used. The compound is a 2,3-difluorobenzene derivative (1) having a combination of a cyclohexane ring, a cyclohexene ring or a benzene ring phenyl and a butene bonding group. The liquid crystal composition includes this compound, and the liquid crystal display device contains this composition.

  该发明提供了一种液晶化合物，具有高热稳定性、耐光性等特点，具有宽的向列相温度范围，低粘度，适当的光学各向异性，大的弹性常数K33，大的负介电各向异性，并且与其他液晶化合物具有良好的兼容性。该发明提供了一种具有与该化合物相似特性的液晶组合物。该发明提供了一种具有短响应时间、低电功耗、低驱动电压、大对比度和可以使用的宽温度范围的液晶显示装置。该化合物是一种2,3-二氟苯衍生物(1)，具有环己烷环、环己烯环或苯环苯基和丁烯键合基的组合。该液晶组合物包括这种化合物，液晶显示装置包含该组合物。
• COMPOUNDS HAVING NEGATIVE OPTICAL DISPERSION, NEGATIVE OPTICAL DISPERSION COMPOSITION COMPRISING THE COMPOUNDS, AND OPTICALLY ANISOTROPIC BODY COMPRISING THE COMPOSITION (As Amended)
  申请人：LG CHEM, LTD.

  公开号：US20160200662A1

  公开（公告）日：2016-07-14

  The present invention relates to a reverse wavelength dispersion compound, a reverse wavelength dispersion composition including the same, and an optically anisotropic body including the same. The reverse wavelength dispersion composition according to the present invention can provide a stronger and more stable reverse wavelength dispersion property, and makes it possible to provide an optically anisotropic body having excellent optical properties.

  本发明涉及一种逆波长色散化合物、包括该化合物的逆波长色散组合物，以及包括该组合物的光学各向异性体。根据本发明的逆波长色散组合物可以提供更强大、更稳定的逆波长色散特性，并且可以提供具有优异光学性能的光学各向异性体。