2-(4-苯氧基苯基)-1-苯基-1-乙酮 | 27798-40-9

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二苯乙烯类
• 中文名称: 2-(4-苯氧基苯基)-1-苯基-1-乙酮
• 英文名称: p-Phenoxydesoxybenzoin
• 英文别名: 4-phenoxyphenylacetophenone；2-(4-Phenoxyphenyl)-1-phenyl-1-ethanone；2-(4-phenoxyphenyl)-1-phenylethanone
• CAS: 27798-40-9
• 化学式: C₂₀H₁₆O₂
• 分子量: 288.346
• InChiKey: UWFIDNYNSUJJED-UHFFFAOYSA-N

物化性质

• 熔点：
  58.3 °C

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  22
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.05
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 安全说明：
  S24/25
• 海关编码：
  2914509090

SDS

Name:	2-(4-Phenoxyphenyl)-1-phenyl-1-ethanone 95+% Material Safety Data Sheet
Synonym:
CAS:	27798-40-9

Section 1 - Chemical Product MSDS Name:2-(4-Phenoxyphenyl)-1-phenyl-1-ethanone 95+% Material Safety Data Sheet
Synonym:

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
27798-40-9	2-(4-Phenoxyphenyl)-1-phenyl-1-ethanon	95+%	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# 27798-40-9: 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: 58.3 - 59.9 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: C20H16O2
Molecular Weight: 288.34

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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# 27798-40-9 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
2-(4-Phenoxyphenyl)-1-phenyl-1-ethanone - Not listed by ACGIH, IARC, or NTP.

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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# 27798-40-9: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 27798-40-9 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 27798-40-9 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

反应信息

• 作为反应物：
  描述：

  三甲基氰硅烷 、 2-(4-苯氧基苯基)-1-苯基-1-乙酮 在 吡啶 、 盐酸 、 氯化亚砜 、 magnesium iodide 作用下， 以 二氯甲烷 、 苯 为溶剂， 生成 2-chloro-2-(4-phenoxyphenyl)propionitrile
  参考文献：
  名称：

  5,5-disubstituted thiazolidine derivative pesticides

  摘要：

  提供具有以下结构式的杀真菌5,5-二取代噻唑啉衍生物：其中R1为C1-C6烷基，C1-C6卤代烷基，C1-C6环烷基，或可选择地取代的苯基；R2为C2-C6烷基或可选择地取代的苯基；X为0、NH、N—OH、取代亚胺基；Y为0、S、N—OH、取代芳基亚胺基、可选择地取代的烷基肼酮、可选择地取代的苯基肼酮或烷基硫醇基；Z为可选择地取代的苯胺基。强调此摘要是为了遵守要求提供一个摘要的规则，以便搜索者或其他读者能够快速了解技术披露的主题。

  公开号：

  US06476055B1
• 作为产物：
  描述：

  phenyl quinoline-2-carboxylate 在 potassium phosphate 、 cesium fluoride 作用下， 以 甲苯 为溶剂， 反应 24.0h， 生成 2-(4-苯氧基苯基)-1-苯基-1-乙酮
  参考文献：
  名称：

  芳香酮的多功能脱酰交叉偶联

  摘要：

  过渡金属催化的交叉偶联代表了连接芳基亲电子试剂与亲核试剂以合成多种有价值的芳香族化合物的最可靠的技术。尽管芳香酮是合成芳香族化合物的关键中间体，有许多已知的羰基转化和芳香环修饰方法，但很少有人认为它们是适合交叉偶联的芳基亲电子试剂。这主要是因为与亲核试剂形成新键需要断裂强 C-C 键。在这里，我们介绍了一种有效利用芳香酮作为多功能芳基亲电子试剂的交叉偶联方法。我们策略的基石是通过顺序克莱森和区域选择性逆克莱森缩合将芳香酮转化为芳香酯。然后所得的酯能够在一锅法中与各种亲核试剂发生反应。

  DOI：

  10.1016/j.chempr.2024.07.002

文献信息

• Polar influences in radical reactions. Part VII. Hydrogen abstraction from nuclear-substituted diphenylmethanes, deoxybenzoins, and allylbenzenes by atomic bromine
  作者：T. P. Low、Kheng H. Lee

  DOI：10.1039/j29700000535

  日期：——

  The relative reactivities of nuclear-substituted diphenylmethanes, deoxybenzoins (X·C6H4·CH2Bz), and allylbenzenes towards atomic bromine at 80° have been determined by means of competitive reactions by use of allylbenzene, diphenylmethyl methyl ether, and p-bromoethylbenzene, respectively, as reference standard. The results show ρ-values of –0·93, –0·92, and –0·68 by the Hammett equation for the three

  核取代的二苯基甲烷的相对反应性，deoxybenzoins（X·C 6 H ^ 4 ·CH 2 BZ）°已经通过竞争反应的手段通过使用烯丙基苯的确定，并在80朝原子溴allylbenzenes，二苯基甲基醚，和p -溴乙基苯分别作为参考标准。结果表明，通过哈米特方程，三个系统的ρ值分别为–0·93，–0·92和–0·68，前两个系统的σ-常数相关性更好，而在第三个系统中σ + -常数与先前的报告具有更好的相关性。与σ相关的可能原因-常量将被讨论。这些系统的ρ值与先前观察到的反应性值具有一致的反比关系。
• 5,5-Disubstituted thiazolidine derivative pesticides
  申请人：Nippon Soda Co., Ltd.

  公开号：US20030114649A1

  公开（公告）日：2003-06-19

  Fungicidal 5,5-disubstituted thiazolidine derivatives are provided having the formula; 1 wherein R 1 is selected from the group consisting of C1-C6 alkyl, C1-C6 haloalkyl, C1-C6 cycloalkyl, and optionally substituted phenyl; R2 is phenyl substituted by A n ; A is each independently selected from the group consisting of H, halogen, C1-C6 alkyl, C1-C6 haloalkyl, C1-C6 alkoxy, C1-C6 alkenyloxy, C1-C6 alkynyloxy, nitro, optionally substituted amino, C1-C6 alkylthio, C1-C6 alkoxycarbonyl, phenoxy, phenyl, optionally substituted pyridyl, optionally substituted thienyl, and optionally substituted furyl; n is 0-5; X is O; Y is selected from the group consisting of O, S, N—OH, optionally substituted arylimino, optionally substituted alkylimino, optionally substituted carbamoyloxyimino, optionally substituted sulfamoyloxyimino, optionally substituted aroyloxyimino, optionally substituted alkoxycarbonyloxyimino, optionally substituted alkylhydrazono, optionally substituted phenylhydrazono, and alkylsulfenyl; and Z is optionally substituted phenylamino.

  提供了公式为1的杀真菌5,5-二取代噻唑啉衍生物，其中R1选自C1-C6烷基、C1-C6卤代烷基、C1-C6环烷基和可选取代的苯基；R2是被An取代的苯基；A各自独立地选自H、卤素、C1-C6烷基、C1-C6卤代烷基、C1-C6烷氧基、C1-C6烯丙氧基、C1-C6炔丙氧基、硝基、可选取代的氨基、C1-C6硫基、C1-C6烷氧羰基、苯氧基、苯基、可选取代的吡啶基、可选取代的噻吩基和可选取代的呋喃基；n为0-5；X为O；Y选自O、S、N-OH、可选取代的芳基亚胺基、可选取代的烷基亚胺基、可选取代的氨基甲酰氧基亚胺基、可选取代的磺酰氧基亚胺基、可选取代的芳基氧甲酰氧基亚胺基、可选取代的烷氧羰基氧基亚胺基、可选取代的烷基肼基、可选取代的苯基肼基和烷基硫基；Z为可选取代的苯基氨基。
• LABADIE, J. W.;STILLE, J. K., J. AMER. CHEM. SOC., 1983, 105, N 19, 6129-6137
  作者：LABADIE, J. W.、STILLE, J. K.

  DOI：——

  日期：——
• US6476055B1
  申请人：——

  公开号：US6476055B1

  公开（公告）日：2002-11-05
• US6713629B2
  申请人：——

  公开号：US6713629B2

  公开（公告）日：2004-03-30