2-(4-甲基苯氧基)乙醇乙酸酯 | 6807-11-0

• 物质功能分类: 生物 - 细胞培养 - 添加剂
• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 中文名称: 2-(4-甲基苯氧基)乙醇乙酸酯
• 中文别名: 2-对甲苯基乙氧基乙酸盐；二乙酰甲苯；4-(2-乙酰氧基乙氧基)甲苯；乙二醇单对甲苯醚乙酸盐
• 英文名称: 2-(p-tolyloxy)ethyl acetate
• 英文别名: 2-(p-Tolyloxy)-ethylacetat；2-(4-Methylphenoxy)-ethylacetat；p-Kresoxyethylacetat；2-(4-methylphenoxy)ethyl acetate
• CAS: 6807-11-0
• 化学式: C₁₁H₁₄O₃
• mdl: MFCD00059337
• 分子量: 194.23
• InChiKey: ZJMLZGKLUMJGSL-UHFFFAOYSA-N

物化性质

• 沸点：
  94 °C / 2mmHg
• 密度：
  1.08
• LogP：
  2.191 (est)

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  14
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.363
• 拓扑面积：
  35.5
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• 海关编码：
  2915390090

SDS

4-(2-Acetoxyethoxy)toluene Revision number: 1
SAFETY DATA SHEET

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Section 1. BASE INFORMATION
Product name: 4-(2-Acetoxyethoxy)toluene

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): 4-(2-Acetoxyethoxy)toluene
Percent: >98.0%(GC)
CAS Number: 6807-11-0
Synonyms: Acetic Acid 2-p-Tolyloxyethyl Ester , Ethylene Glycol Mono-p-tolyl Ether Acetate , 2-
p-Tolyloxyethyl Acetate
Chemical Formula: C11H14O3

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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.
Protection of first-aiders: A rescuer should wear personal protective equipment, such as rubber gloves and air-
tight goggles.

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Section 5. FIRE-FIGHTING MEASURES
Suitable extinguishing Dry chemical, foam, water spray, carbon dioxide.
media:
Extinguishing media not to Solid streams of water
be used:
4-(2-Acetoxyethoxy)toluene

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

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Section 6. ACCIDENTAL RELEASE MEASURES
Use personal protective equipment. Keep people away from and upwind of spill/leak.
Personal precautions,
protective equipment and Ensure adequate ventilation. Entry to non-involved personnel should be controlled
emergency procedures: around the leakage area by roping off, etc.
Environmental precautions: Prevent product from entering drains.
Methods and materials for Absorb spilled material in a suitable absorbent (e.g. rag, dry sand, earth, saw-dust).
containment and cleaning In case of large amount of spillage, contain a spill by bunding. Adhered or collected
up: material should be promptly disposed of, in accordance with appropriate laws and
regulations.

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

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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: Vapor respirator. Follow local and national regulations.
Hand protection: Protective gloves.
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): Liquid
Form: clear
Color: Colorless - Pale yellow
Odor: No data available
pH: No data available
Melting point/freezing point:No data available
Boiling Point/Range: 94 °C/0.3kPa
Flash Point: No data available
Explosive limits
Lower: No data available
Upper: No data available
Density: 1.08
Solubility: No data available

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Section 10. STABILITY AND REACTIVITY
Stability: Stable under proper conditions.
No special reactivity has been reported.
Reactivity:
Incompartible materials: oxidizing agents
4-(2-Acetoxyethoxy)toluene

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Section 10. STABILITY AND REACTIVITY
Hazardous Decomposition Carbon monoxide, Carbon dioxide
Products:

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

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Section 12. ECOLOGICAL INFORMATION
Ecotoxicity:
No data available
Fish:
Crustacea: No data available
No data available
Algae:
Persistence / degradability: No data available
No data available
Bioaccumulative
potential(BCF):
Mobillity in soil
log Pow: No data available
No data available
Soil adsorption (Koc):
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 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
Not Listed
UN-No:

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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.
4-(2-Acetoxyethoxy)toluene

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  2-(4-甲基苯氧基)乙醇乙酸酯 在 sodium hydroxide 、 高氯酸 作用下， 以 溶剂黄146 为溶剂， 生成 2,2'-Methylen-bis-(5-methyl-1,2-phenylenoxy)-diethanol
  参考文献：
  名称：

  Synthesis of Dimeric and Trimeric 2-(p-Tolyloxy)ethyl Acetate-Formaldehyde Polymer Model Compounds

  摘要：

  合成了二聚和三聚 2-(对聚氧)乙酸乙酯甲醛聚合物模型化合物以及二聚物的卤代化合物。2-(p-tolyloxy)ethyl acetate 与甲醛在酸性介质中反应合成了 2,2′-亚甲基双（5-甲基-1,2-苯氧基）二乙酸乙酯。6-氯-4,4′-二甲基-2,2′-亚甲基二苯酚与 2-氯乙醇反应制备 2-[2-（2-乙酰氧基乙氧基-3-氯-5-甲基苄基）-4-甲基苯氧基]乙酸乙酯、然后用乙酸酐处理，并从 2,6-双(2-羟基-5-甲基苄基)-4-甲基苯酚制备 2-[2,6-双(2-乙酰氧乙氧基-5-甲基苄基)-4-甲基苯氧基]乙酸乙酯。

  DOI：

  10.1246/bcsj.47.3102
• 作为产物：
  描述：

  2-(4-甲基苯氧基)乙醇 、 溶剂黄146 在 nickel oxinate 作用下， 以 neat (no solvent) 为溶剂， 以96%的产率得到2-(4-甲基苯氧基)乙醇乙酸酯
  参考文献：
  名称：

  镍（II）和铜（II）催化的烷醇胺，苯氧基乙醇和醇的化学选择性O-甲酰基和O-酰基保护

  摘要：

  对于具有胺和醇作为反应性官能团的双官能化合物（例如烷醇胺），实现化学选择性始终是至关重要且具有挑战性的。这种反应的例子之一是使烷醇胺的O-甲酰基和O-酰基保护的选择性达到100％。为避免保护和脱保护步骤并克服这一问题，Ni（Ni（Ni））催化了一种新的化学选择性，有效且简单的官能团保护方案，如烷醇胺和苯氧基乙醇的O-甲酰化和O-酰化以及醇和胺之间的竞争性O-选择性。II）和Cu（II）在均相介质中仅以5 mol％的催化剂负载量与8-羟基喹啉形成络合物。在不存在用于室温下以甲酸为甲酰基源的O-甲酰化溶剂和在70°C下以乙酸为酰基源的O-酰化条件下，可获得良好或优异的收率。另外，在该反应过程中产生最少的废水和废物，因为相应的酸的钠盐可以在该过程中回收并可以重复使用。这种化学反应容易耐受各种官能团，如20个对烷醇胺的O-甲酰化和O-酰化具有100％化学选择性的实例以及30个O-甲酰化和在已成功合

  DOI：

  10.1039/d0gc00520g

文献信息

• Nickel catalysis enables convergent paired electrolysis for direct arylation of benzylic C–H bonds
  作者：Lei Zhang、Xile Hu

  DOI：10.1039/d0sc01445a

  日期：——

  intermediates generated at the two opposite electrodes of an electrochemical cell, achieving direct arylation of benzylic C–H bonds. This method yields a diverse set of diarylmethanes, which are important structural motifs in medicinal and materials chemistry. Preliminary mechanistic study suggests oxidation of a benzylic C–H bond, Ni-catalyzed C–C coupling, and reduction of a Ni intermediate as key elements of

  收敛对电合成是有机合成中的一种节能方法。但是，由于难以匹配反应伙伴的先天氧化还原特性而受到限制。在这里，我们使用镍催化来交叉耦合电化学电池两个相对电极上产生的两个中间体，从而实现苄基CH键的直接芳基化。该方法产生了多种多样的二芳基甲烷，这是药物和材料化学中的重要结构图案。初步的机理研究表明，苄基C–H键的氧化，Ni催化的C–C偶联以及Ni中间体的还原是催化循环的关键元素。
• Sulphonium Salt Initiators
  申请人：Wolf Jean-Pierre

  公开号：US20090208872A1

  公开（公告）日：2009-08-20

  Compounds of the formula (I), (II), (III), (IV) and wherein, R is hydrogen, C 1 -C 20 alkyl; C 2 -C 20 alkyl interrupted by one or more O; is -L-X—R 2 or -L-R 2 ; R 1 has for example one of the meanings as given for R; R 2 is a monovalent sensitizer or photoinitiator moiety; Ar 1 and Ar 2 for example independently of one another are phenyl substituted by C 1 -C 20 alkyl, halogen or OR 3 ; or are unsubstituted naphthyl, anthryl, phenanthryl or biphenylyl; or are naphthyl, anthryl, phenanthryl or biphenylyl substituted by C 1 -C 20 alkyl, OH or OR 3 ; or are —Ar 4 -A-Ar 3 ; Ar 3 is unsubstituted phenyl naphthyl, anthryl, phenanthryl or biphenylyl; or is phenyl, naphthyl, anthryl, phenanthryl or biphenylyl substituted by C 1 -C 20 alkyl, OR 3 or benzoyl; Ar 4 is phenylene, naphthylene, anthrylene or phenanthrylene; A is a direct bond, S, O or C 1 -C 20 alkylene; X is CO, C(O)O, OC(O), O, S or NR 3 ; L is C 1 -C 20 alkylene or C 2 -C 20 alkylene interrupted by one or more O; R 3 is C 1 -C 20 alkyl or C 1 -C 20 hydroxyalkyl; and Y is an anion, are suitable as photolatent acid generators.

  公式（I），（II），（III），（IV）的化合物，其中R是氢，C1-C20烷基; C2-C20烷基中断一个或多个O;为-L-X—R2或-L-R2; R1例如具有给定为R的含义之一; R2是单价敏化剂或光引发剂基团; Ar1和Ar2例如独立地是被C1-C20烷基，卤素或OR3取代的苯基;或未取代的萘基，蒽基，菲基或联苯基;或被C1-C20烷基，OH或OR3取代的萘基，蒽基，菲基或联苯基;或是-Ar4-A-Ar3; Ar3是未取代的苯基，萘基，蒽基，菲基或联苯基;或是被C1-C20烷基，OR3或苯甲酰取代的苯基，萘基，蒽基，菲基或联苯基; Ar4是苯撑，萘撑，蒽撑或菲撑; A是直接键，S，O或C1-C20烷基; X是CO，C（O）O，OC（O），O，S或NR3; L是C1-C20烷基或C2-C20烷基中断一个或多个O; R3是C1-C20烷基或C1-C20羟基烷基; Y是阴离子，适用作光潜酸发生剂。
• Bromine radical-enhanced HAT activity leading to stoichiometric couplings of methylarenes with acid chlorides
  作者：Qiao-Lin Wang、Huawen Huang、Guojiang Mao、Guo-Jun Deng

  DOI：10.1039/d2gc02972c

  日期：——

  The stoichiometric coupling of readily available methylarenes and diverse acid chlorides into α-aryl ketones, a valued structural motif present in pharmacologically relevant molecules, has been developed. The utility of this protocol is demonstrated by the late-stage acylation of biologically active molecules in a stoichiometric manner. Mechanistic investigation reveals that the photocatalytically

  已经开发出将容易获得的甲基芳烃和多种酰氯化学计量耦合成α-芳基酮，这是一种存在于药理学相关分子中的有价值的结构基序。该协议的实用性通过以化学计量方式对生物活性分子进行后期酰化得到证明。机理研究表明，光催化产生的溴自由基充当氢原子夺取试剂并提供亲核苄基自由基，该自由基被镍催化的交叉偶联拦截以完成苄基酰化。
• INK COMPOSITION FOR ORGANIC LIGHT EMITTING DEVICE
  申请人：LG CHEM, LTD.

  公开号：EP3789464A1

  公开（公告）日：2021-03-10

  The present invention relates to an ink composition for an organic light emitting device that can be applied to an inkjet process. When this is applied to an inkjet process, it can form a flat film with a smooth surface when dried after forming the ink film.

  本发明涉及一种可用于喷墨工艺的有机发光器件墨水组合物。将其应用于喷墨工艺时，可在形成墨膜后干燥时形成表面光滑的平膜。
• Catalytic Hydroxyethylation of Phenols with Renewable Ethylene Glycol Diester as an Alternative to Ethylene Oxide
  作者：Yu-Ji Luo、Zhi Li

  DOI：10.1002/ejoc.202400158

  日期：——

  A Lewis acid-catalyzed, solvent-free hydroxyethylation strategy that converts phenols into phenoxyethanol esters is reported. Ethylene glycol diesters are used as renewable and safe alternatives to the harmful ethylene oxide. Oligomerization byproducts from ethylene oxide are also avoided. Applications are demonstrated in upcycling of polyester plastics and preparation of bioactive chemicals.

  报道了一种路易斯酸催化的无溶剂羟乙基化策略，可将苯酚转化为苯氧基乙醇酯。乙二醇二酯被用作有害环氧乙烷的可再生且安全的替代品。还避免了来自环氧乙烷的低聚副产物。在聚酯塑料的升级回收和生物活性化学品的制备中展示了应用。

表征谱图