环己基(苯基)甲醇 | 945-49-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 环己基(苯基)甲醇
• 中文别名: 环己基甲醇
• 英文名称: cyclohexylphenylmethanol
• 英文别名: α-cyclohexyl benzyl alcohol；rac-(cyclohexyl)(phenyl)methanol；cyclohexyl phenyl carbinol；α-(cyclohexyl)benzenemethanol；Cyclohexyl(phenyl)methanol
• CAS: 945-49-3
• 化学式: C₁₃H₁₈O
• 分子量: 190.285
• InChiKey: QDYKZBKCLHBUHU-UHFFFAOYSA-N

物化性质

• 熔点：
  41 °C
• 沸点：
  168 °C(Press: 20 Torr)
• 密度：
  1.039±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  20.2
• 氢给体数：
  1
• 氢受体数：
  1

安全信息

• 危险品标志：
  Xi
• 海关编码：
  2906299090

SDS

Name:	Cyclohexyl(phenyl)methanol 97% Material Safety Data Sheet
Synonym:
CAS:	945-49-3

Section 1 - Chemical Product MSDS Name:Cyclohexyl(phenyl)methanol 97% Material Safety Data Sheet
Synonym:

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
945-49-3	Cyclohexyl(phenyl)methanol	97%	unlisted

Hazard Symbols: None Listed.
Risk Phrases: None Listed.

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Not available.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation. May be harmful if absorbed through the skin.
Ingestion:
May cause irritation of the digestive tract. May be harmful if swallowed.
Inhalation:
May cause respiratory tract irritation. May be harmful if inhaled.
Chronic:
Not available.

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Section 4 - FIRST AID MEASURES
Eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid.
Skin:
Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Ingestion:
Get medical aid. Wash mouth out with water.
Inhalation:
Remove from exposure and move to fresh air immediately.
Notes to Physician:
Treat symptomatically and supportively.

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Section 5 - FIRE FIGHTING MEASURES
General Information:
As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear.
Extinguishing Media:
Use water spray, dry chemical, carbon dioxide, or chemical foam.

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Section 6 - ACCIDENTAL RELEASE MEASURES
General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Vacuum or sweep up material and place into a suitable disposal container.

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Section 7 - HANDLING and STORAGE
Handling:
Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes.
Storage:
Store in a cool, dry place. Store in a tightly closed container.

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Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 945-49-3: Personal Protective Equipment Eyes: Not available.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to prevent skin exposure.
Respirators:
Follow the OSHA respirator regulations found in 29 CFR 1910.134 or European Standard EN 149. Use a NIOSH/MSHA or European Standard EN 149 approved respirator if exposure limits are exceeded or if irritation or other symptoms are experienced.

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Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Solid
Color: Not available.
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 48 - 50 deg C
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C13H18O
Molecular Weight: 190.28

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Carbon monoxide, carbon dioxide.
Hazardous Polymerization: Has not been reported

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 945-49-3: PC1935000 LD50/LC50:
Not available.
Carcinogenicity:
Cyclohexyl(phenyl)methanol - Not listed by ACGIH, IARC, or NTP.
Other:
See actual entry in RTECS for complete information.

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Section 12 - ECOLOGICAL INFORMATION

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Section 13 - DISPOSAL CONSIDERATIONS
Dispose of in a manner consistent with federal, state, and local regulations.

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Section 14 - TRANSPORT INFORMATION

IATA
No information available.
IMO
No information available.
RID/ADR
No information available.

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Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: Not available.
Risk Phrases:
Safety Phrases:
S 24/25 Avoid contact with skin and eyes.
WGK (Water Danger/Protection)
CAS# 945-49-3: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 945-49-3 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 945-49-3 is not listed on the TSCA inventory.
It is for research and development use only.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

上下游信息

• 上游原料

  中文名称	英文名称	CAS号	化学式	分子量
  ——	(S)-cyclohexylphenylmethanol	——	C13H18O	190.285
  ——	1-phenyl-heptane-1,7-diol	92101-56-9	C13H20O2	208.301

• 下游产品

  中文名称	英文名称	CAS号	化学式	分子量
  ——	(S)-cyclohexylphenylmethanol	——	C13H18O	190.285
  ——	(R)-cyclohexylphenylmethanol	——	C13H18O	190.285
  ——	(+/-)-cylohexylphenylmethyl hydroperoxide	13694-42-3	C13H18O2	206.285
  ——	cyclohexyl(methoxy)phenylmethane	126979-61-1	C14H20O	204.312
  ——	O-(cyclohexyl(phenyl)methyl)hydroxylamine	1160488-38-9	C13H19NO	205.3
  ——	[2-(cyclohexyl-phenyl-methoxy)-ethyl]-dimethyl-amine	1889-38-9	C17H27NO	261.407
  (环己基甲基)苯	(cyclohexylmethyl)benzene	4410-75-7	C13H18	174.286
  ——	1-cyclohexyl-1-phenylpropane-1,3-diol	108667-55-6	C15H22O2	234.338
  2-苯基-1-氧杂螺[2.5]辛烷	2-phenyl-1-oxaspiro[2.5]octane	37545-92-9	C13H16O	188.269
  ——	4-(cyclohexylphenylmethoxy)piperidine	1351371-83-9	C18H27NO	273.418

反应信息

• 作为反应物：
  描述：

  环己基(苯基)甲醇 在 potassium hydrogensulfate 、 碘 、 mercury(II) oxide 作用下， 生成 1-苯基环己烷-1-甲醛
  参考文献：
  名称：

  Tiffeneau et al., Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, 1935, vol. 201, p. 277

  摘要：

  DOI：
• 作为产物：
  描述：

  环己氯化镁 在 pyridinium chlorochromate 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 12.17h， 生成 环己基(苯基)甲醇
  参考文献：
  名称：

  含有肟类取代基的吡唑并哌啶酮类化合物及其 组合物及用途

  摘要：

  本发明涉及吡唑并哌啶酮类化合物及其药学可接受的组合物及用于制备治疗与Xa因子相关疾病的药物中的用途。特别的，本发明涉及一种新型含有肟类取代基的吡唑并哌啶酮类化合物、含有这些化合物的药物组合物及这些化合物在用于制备治疗与Xa因子相关疾病的药物中的用途。

  公开号：

  CN104277038B

文献信息

• Catalytic Dehydration of Benzylic Alcohols to Styrenes by Rhenium Complexes
  作者：Ties J. Korstanje、Johann T. B. H. Jastrzebski、Robertus J. M. Klein Gebbink

  DOI：10.1002/cssc.201000055

  日期：——

  The oxygen content of biomass‐based materials can be reduced by selective dehydration of hydroxyl groups. As a first step towards biomass‐based chemicals, rhenium‐based catalysts are shown to be active in the dehydration of various benzylic alcohols to styrene moieties. The turnover frequencies are superior to the benchmark catalyst sulfuric acid, without sacrificing any selectivity.

  可以通过对羟基进行选择性脱水来减少生物质基材料中的氧含量。作为向基于生物质的化学品迈出的第一步，基于rh的催化剂在将各种苄醇脱水成苯乙烯部分中表现出活性。周转频率优于基准催化剂硫酸，而不会牺牲任何选择性。
• SBA-15-Functionalized 3-Oxo-ABNO as Recyclable Catalyst for Aerobic Oxidation of Alcohols under Metal-Free Conditions
  作者：Babak Karimi、Elham Farhangi、Hojatollah Vali、Saleh Vahdati

  DOI：10.1002/cssc.201402059

  日期：2014.9

  The nitroxyl radical 3‐oxo‐9‐azabicyclo [3.3.1]nonane‐N‐oxyl (3‐oxo‐ABNO) has been prepared using a simple protocol. This organocatalyst is found to be an efficient catalyst for the aerobic oxidation of a wide variety of alcohols under metal‐free conditions. In addition, the preparation and characterization of a supported version of 3‐oxo‐ABNO on ordered mesoporous silica SBA‐15 (SABNO) is described

  硝酰基自由基3-氧代-9-氮杂双环[3.3.1]壬烷-N-oxyl（3-oxo-ABNO）已使用简单的方案制备。已发现这种有机催化剂是在无金属条件下对多种醇进行好氧氧化的有效催化剂。此外，首次描述了在有序介孔二氧化硅SBA-15（SABNO）上支持的3-氧代ABNO的制备和表征。使用多种技术对催化剂进行了表征，包括同时热分析（STA），透射电子显微镜（TEM）和氮吸附分析。与（2,2,6,6-四甲基哌啶-1-基）氧基（TEMPO）相比，该催化剂在相同条件下几乎可以对相同范围的醇进行好氧氧化，其催化性能与其均相类似物相当，并且催化活性要好得多。反应条件。
• Aerobic Oxidation of Alcohols Catalyzed by <i>in Situ</i> Generated Gold Nanoparticles inside the Channels of Periodic Mesoporous Organosilica with Ionic Liquid Framework
  作者：Babak Karimi、Akram Bigdeli、Ali Asghar Safari、Mojtaba Khorasani、Hojatollah Vali、Somaiyeh Khodadadi Karimvand

  DOI：10.1021/acscombsci.9b00160

  日期：2020.2.10

  In situ generated gold nanoparticles inside the nanospaces of periodic mesoporous organosilica with an imidazolium framework ([email protected]) were found to be highly active, selective, and reusable catalysts for the aerobic oxidation of activated and nonactivated alcohols under mild reaction conditions. The catalyst was characterized by nitrogen adsorption–desorption measurement, thermogravimetric

  发现具有咪唑骨架的周期性介孔有机硅纳米空间内的原位生成的金纳米粒子是高活性，选择性和可重复使用的催化剂，可在温和的反应条件下对活化和非活化醇进行好氧氧化。该催化剂的特征在于氮吸附-解吸测量，热重分析（TGA），透射电子显微镜（TEM），元素分析（EA），漫反射红外傅里叶变换光谱（DRIFT），X射线光电子能谱（XPS）和电感耦合等离子体原子发射光谱法（ICP-AES）。在Cs 2 CO 3（35°C）或K 2的存在下，该催化剂表现出优异的催化活性。一氧化碳3（60°C）作为反应基础在甲苯中作为反应溶剂。在两种反应条件下，各种类型的醇（最多35个实例），包括活化的苄基，伯和仲脂族，杂环和具有挑战性的环状脂族醇，都以良好的产率和选择性很好地转化为预期的羰基化合物。还回收了催化剂并将其再利用至少七个反应循环。来自三个独立浸出测试的数据表明，浸出金颗粒的量可以忽略不计（<0.2 ppm）。据信，桥
• Highly efficient catalytic system for hydrosilylation of ketones with iron(II) acetate–thiophenecarboxylate
  作者：Akihiro Furuta、Hisao Nishiyama

  DOI：10.1016/j.tetlet.2007.11.002

  日期：2008.1

  A combination of a catalyst derived from ferrous acetate and sodium thiophene-2-carboxylate efficiently promoted hydrosilylation of aromatic and aliphatic ketones to give the corresponding secondary alcohols in high yields with extremely high selectivity.

  衍生自乙酸亚铁和噻吩-2-羧酸钠的催化剂的组合有效地促进了芳族和脂族酮的氢化硅烷化，从而以极高的选择性高收率地给出了相应的仲醇。
• Chiral C2-symmetric η6-p-cymene-Ru(II)-phosphinite complexes: Synthesis and catalytic activity in asymmetric reduction of aromatic, methyl alkyl and alkyl/aryl ketones
  作者：Duygu Elma Karakaş、Murat Aydemir、Feyyaz Durap、Akın Baysal

  DOI：10.1016/j.ica.2017.11.044

  日期：2018.2

  Abstract Chiral C2-symmetric bis(phosphinite) ligands and their binuclear ruthenium(II) complexes have been synthesized and used as catalysts in the ruthenium-catalyzed asymmetric transfer hydrogenation of aromatic, methyl alkyl and alkyl/aryl ketones using 2-propanol as both the hydrogen source and solvent in the presence of KOH. Under optimized conditions, all complexes showed high catalytic activity

  摘要合成了手性C2-对称双亚膦酸酯配体及其双核钌（II）配合物，并将其用作钌催化的芳族，甲基烷基和烷基/芳基酮不对称转移加氢反应的催化剂，该反应使用2-丙醇作为催化剂。氢源和KOH存在下的溶剂。在最佳条件下，所有配合物在将各种酮还原为相应的手性仲醇中均表现出高催化活性。获得具有高转化率（99％）和中等至良好对映选择性（82％ee）的产物。此外，通过多核NMR光谱，FT-IR光谱，LC / MS-MS和元素分析对C2对称的双（次膦酸酯）配体及其双核钌（II）配合物进行了表征。