2,2-二(4-环己酮基)丙烷 | 7418-16-8

• 物质功能分类: 有机原料 - 酮类化合物
• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 2,2-二(4-环己酮基)丙烷
• 中文别名: 4,4'-异亚丙基双(环己酮)；2,2-双(4-环己酮基)丙烷；2,2'-双(4-氧代环己基)丙烷；2,2-二(4-羰基环己)丙烷
• 英文名称: 2,2-bis(4-oxocyclohexyl)propane
• 英文别名: 4-[2-(4-oxocyclohexyl)propan-2-yl]cyclohexan-1-one
• CAS: 7418-16-8
• 化学式: C₁₅H₂₄O₂
• mdl: MFCD00191618
• 分子量: 236.354
• InChiKey: HAWVCXABNZBPED-UHFFFAOYSA-N

物化性质

• 熔点：
  164 °C
• 溶解度：
  溶于氯仿
• 稳定性/保质期：
  如果按照规格使用和储存，则不会分解。

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  17
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.866
• 拓扑面积：
  34.1
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 海关编码：
  2914299000
• 储存条件：
  密封在阴凉干燥的环境中。

SDS

2,2-Bis(4-oxocyclohexyl)propane Revision number: 1
SAFETY DATA SHEET

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Section 1. BASE INFORMATION
Product name: 2,2-Bis(4-oxocyclohexyl)propane

Revision number: 1

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Section 2. HAZARDS IDENTIFICATION
Classification of the GHS
PHYSICAL HAZARDS Not classified
HEALTH HAZARDS Not classified
Not classified
ENVIRONMENTAL HAZARDS
GHS label elements
None
Pictograms or hazard symbols
Signal word No signal word
None
Hazard statement
Precautionary statements None

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Section 3. COMPOSITION/INFORMATION ON INGREDIENTS
Substance/mixture: Substance
Component(s): 2,2-Bis(4-oxocyclohexyl)propane
Percent: >95.0%(GC)
CAS Number: 7418-16-8
Synonyms: 4,4'-Isopropylidenebis(cyclohexanone)
Chemical Formula: C15H24O2

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Section 4. FIRST AID MEASURES
Inhalation: Remove victim to fresh air and keep at rest in a position comfortable for breathing.
Get medical advice/attention if you feel unwell.
Skin contact: Remove/Take off immediately all contaminated clothing. Rinse skin with
water/shower. If skin irritation or rash occurs: Get medical advice/attention.
Eye contact: Rinse cautiously with water for several minutes. Remove contact lenses, if present
and easy to do. Continue rinsing. If eye irritation persists: Get medical
advice/attention.
Ingestion: Get medical advice/attention if you feel unwell. Rinse mouth.
A rescuer should wear personal protective equipment, such as rubber gloves and air-
Protection of first-aiders:
tight goggles.

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Section 5. FIRE-FIGHTING MEASURES
Suitable extinguishing Dry chemical, foam, water spray, carbon dioxide.
media:
Specific methods: Fire-extinguishing work is done from the windward and the suitable fire-extinguishing
method according to the surrounding situation is used. Uninvolved persons should
evacuate to a safe place. In case of fire in the surroundings: Remove movable
containers if safe to do so.
2,2-Bis(4-oxocyclohexyl)propane

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Section 5. FIRE-FIGHTING MEASURES
Special protective When extinguishing fire, be sure to wear personal protective equipment.
equipment for firefighters:

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Section 6. ACCIDENTAL RELEASE MEASURES
Personal precautions, Use personal protective equipment. Keep people away from and upwind of spill/leak.
protective equipment and Entry to non-involved personnel should be controlled around the leakage area by
emergency procedures: roping off, etc.
Environmental precautions: Prevent product from entering drains.
Methods and materials for Sweep dust to collect it into an airtight container, taking care not to disperse it.
containment and cleaning Adhered or collected material should be promptly disposed of, in accordance with
up: appropriate laws and regulations.

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Section 7. HANDLING AND STORAGE
Handling
Handling is performed in a well ventilated place. Wear suitable protective equipment.
Technical measures:
Prevent dispersion of dust. Wash hands and face thoroughly after handling.
Use a local exhaust if dust or aerosol will be generated.
Advice on safe handling: Avoid contact with skin, eyes and clothing.
Storage
Storage conditions: Keep container tightly closed. Store in a cool and dark place.
Store away from incompatible materials such as oxidizing agents.
Packaging material: Law is followed.

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Section 8. EXPOSURE CONTROLS / PERSONAL PROTECTION
Engineering controls: Install a closed system or local exhaust as possible so that workers should not be
exposed directly. Also install safety shower and eye bath.
Personal protective equipment
Respiratory protection: Dust respirator. Follow local and national regulations.
Protective gloves.
Hand protection:
Eye protection: Safety glasses. A face-shield, if the situation requires.
Skin and body protection: Protective clothing. Protective boots, if the situation requires.

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Section 9. PHYSICAL AND CHEMICAL PROPERTIES
Physical state (20°C): Solid
Form: crystal - powder
White - Slightly pale yellow
Color:
Odor: No data available
pH: No data available
Melting point/freezing point:164 °C
Boiling Point/Range: No data available
Flash Point: No data available
Explosive limits
Lower: No data available
No data available
Upper:
Density: No data available
Soluble in : Chloroform
Solubility:

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Section 10. STABILITY AND REACTIVITY
Stability: Stable under proper conditions.
Reactivity: No special reactivity has been reported.
Incompartible materials: oxidizing agents
Hazardous Decomposition Carbon monoxide, Carbon dioxide
Products:

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Section 11. TOXICOLOGICAL INFORMATION
Acute Toxicity: No data available
2,2-Bis(4-oxocyclohexyl)propane

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Section 11. TOXICOLOGICAL INFORMATION
Skin corrosion/irritation: No data available
Serious eye No data available
damage/irritation:
Germ cell mutagenicity: No data available
Carcinogenicity:
No data available
IARC =
NTP = No data available
No data available
Reproductive toxicity:

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Section 12. ECOLOGICAL INFORMATION
Ecotoxicity:
Fish: No data available
Crustacea: No data available
Algae: No data available
Persistence / degradability: No data available
Bioaccumulative No data available
potential(BCF):
Mobillity in soil
log Pow: No data available
Soil adsorption (Koc): No data available
Henry's Law No data available
constant(PaM3/mol):

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Section 13. DISPOSAL CONSIDERATIONS
Recycle to process, if possible. Consult your local regional authorities. You may be able to dissolve or mix material
with a combustible solvent and burn in a chemical incinerator equipped with an afterburner and scrubber system.
Observe all federal, state and local regulations when disposing of the substance.

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Section 14. TRANSPORT INFORMATION
Hazards Class: Does not correspond to the classification standard of the United Nations
UN-No: Not Listed

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Section 15. REGULATORY INFORMATION
Safe management ordinance of dangerous chemical product (State Council announces on January 26,
2002): Safe use and production, the storage of a dangerous chemical, transport, loading and unloading were
prescribed.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  2,2-二(4-环己酮基)丙烷 在 盐酸 、 sodium azide 作用下， 生成 5,5'-(1-methyl-ethane-1,1-diyl)-bis-azepan-2-one
  参考文献：
  名称：

  DE939811

  摘要：

  公开号：
• 作为产物：
  描述：

  双酚A 生成 2,2-二(4-环己酮基)丙烷
  参考文献：
  名称：

  双酚A加氢产物的异构体。2,2-双-(4-羟基环己基)丙烷的三种异构体和2-(4-羟基环己基)-2-(对羟基苯基)丙烷的两种异构体的分离和构型

  摘要：

  双酚 A (I) 在 Raney 镍 (W-1) 和 Urushibara 镍 A 和 B 上的氢化已经进行，并且 2,2-双（4-羟基环己基）丙烷 (II) 的三种立体异构体和 2-( 4-羟基环己基)-2-(对羟基苯基)丙烷(III)已从产物中分离出来。II 异构体、cis-cis (mp 174–175°C)、cis-trans (164–165.5°C) 和 trans-trans (188–189°C) 以及 III 异构体的构型和优选构象、顺式 (159–161°C) 和反式 (150.5–151.5°C) 已通过红外和核磁共振光谱、钠转化为稳定异构体和其他方法确定。当与纯化的甲醇一起加热时，由 II 的异构混合物的三氧化铬氧化制备的 2,2-双（4-酮环己基）丙烷得到 2,2-双（4,4-二甲氧基环己基）丙烷，mp 140。5–141.5°C。IIIt从苯中重结晶得到IIIt

  DOI：

  10.1246/bcsj.39.2194

文献信息

• 新規な脂環式ジオール化合物
  申请人：新日本理化株式会社

  公开号：JP2019014711A

  公开（公告）日：2019-01-31

  【課題】ポリエステル樹脂の樹脂原料及び改質剤並びにエポキシ樹脂、ポリウレタン樹脂、ポリアクリル酸エステル樹脂及びポリメタクリル酸エステル樹脂等の樹脂原料として新規な脂環式ジオール化合物を提供すること。【解決手段】 一般式（１）【化１】［式中、Ｒ１は、同一又は異なって、メチル基又はエチル基を示す。］で表される新規な脂環式ジオール化合物を提供する。【選択図】なし

  提供新型脂环式二醇化合物，其可用作聚酯树脂的树脂原料和改性剂，以及环氧树脂、聚氨酯树脂、聚丙烯酸酯树脂和聚甲基丙烯酸酯树脂等树脂原料。
• Ruthenium-on-Carbon-Catalyzed Facile Solvent-Free Oxidation of Alcohols: Efficient Progress under Solid–Solid (Liquid)–Gas Conditions
  作者：Kwihwan Park、Jing Jiang、Tsuyoshi Yamada、Hironao Sajiki

  DOI：10.1248/cpb.c21-00749

  日期：2021.12.1

  solvent-free oxidation of alcohols, which proceeds efficiently under solid–solid (liquid)–gas conditions, was developed. Various primary and secondary alcohols were transformed to corresponding aldehydes and ketones in moderate to excellent isolated yields by simply stirring in the presence of 10% Ru/C under air or oxygen conditions. The solvent-free oxidation reactions proceeded efficiently regardless of the

  开发了一种在固-固（液）-气条件下高效进行的钌碳 (Ru/C) 催化无溶剂氧化醇的方案。在空气或氧气条件下，通过在 10% Ru/C 存在下简单搅拌，各种伯醇和仲醇以中等至优异的分离产率转化为相应的醛和酮。无论底物和试剂是固态还是液态，无溶剂氧化反应都能有效地进行，并且可以应用于克级合成而不会损失反应效率。此外，在五次重复使用循环后，Ru/C 的催化活性得以保持。 全尺寸图像
• Catalyst comprising a cyclic imide compound and process for producing organic compounds using the catalyst
  申请人：——

  公开号：US20020128149A1

  公开（公告）日：2002-09-12

  A catalyst includes a cyclic imide compound having an N-substituted cyclic imide skeleton represented by following Formula (I): 1 wherein X is an oxygen atom or a hydroxyl group, and having a solubility parameter of less than or equal to 26 [(MPa) ½ ] as determined by Fedors method. The catalyst may further comprise a metallic compound. By allowing (A) a compound capable of forming a radical to react with (B) a radical scavenging compound in the presence of the catalyst, an addition or substitution reaction product between the compound (A) and the compound (B) or a derivative thereof can be obtained.

  催化剂包括具有由下式（I）表示的N-取代的环状亚酰亚胺骨架的环状亚酰亚胺化合物，其中X是氧原子或羟基，并且具有由Fedors方法确定的溶解度参数小于或等于26 [（MPa）½]。该催化剂还可以包括金属化合物。通过允许（A）能够形成自由基的化合物与（B）自由基清除化合物在催化剂存在的情况下发生反应，可以获得化合物（A）和化合物（B）之间的加成或取代反应产物或其衍生物。
• A New Synthetic Route to 3,4-Bridged 1,6,6aλ4-Trithiapentalenes
  作者：Wei Zhang、Yewande Henry

  DOI：10.1055/s-2001-15160

  日期：——

  A new synthetic route to 3,4-bridged 1,6,6aλ 4-trithiapentalenes is developed based on reactions of cyclic ketones with Bredereck's reagent followed by thiolation of keto dienamines with phosphorus pentasulfide or Lawesson's reagent.

  研发了一种新的合成路线，用于3,4-桥联的1,6,6aλ4-三硫戊烯，基于环酮与Bredereck试剂的反应，然后用五硫磷或Lawesson试剂对酮类二烯胺进行硫化。
• METHOD FOR PRODUCING OXIDE
  申请人：DAICEL CORPORATION

  公开号：US20160159722A1

  公开（公告）日：2016-06-09

  Provided is a method of oxidizing a substrate with excellent oxidizing power to yield a corresponding oxide. The method can employ a commercially available imide compound as intact as a catalyst and can produce the oxide in a high yield under mild conditions. A method for producing an oxide according to the present invention includes performing oxidation of a substrate in the presence of oxygen and ozone under catalysis of an imide compound to yield a corresponding oxide. The imide compound has a cyclic imide skeleton represented by Formula (I). In the formula, n is selected from 0 and 1; and X is selected from an oxygen atom and an —OR group, where R is selected from hydrogen and a hydroxy-protecting group.

  提供了一种氧化底物以产生相应氧化物的方法，该方法可以利用商业可获得的亚酰胺化合物作为催化剂，并在温和条件下高产率地产生氧化物。根据本发明的一种制备氧化物的方法包括在氧气和臭氧的存在下，在亚酰胺化合物的催化下对底物进行氧化，以产生相应的氧化物。该亚酰胺化合物具有由式（I）表示的环状亚酰胺骨架。在该式中，n选择自0和1；X选择自氧原子和—OR基团，其中R选择自氢和羟基保护基团。

表征谱图