反-4-乙氧基肉桂酸乙酯 | 75332-46-6

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 肉桂酸及其衍生物
• 中文名称: 反-4-乙氧基肉桂酸乙酯
• 中文别名: 反式-4-乙氧基肉桂酸乙酯
• 英文名称: (E)-ethyl 3-(4-ethoxyphenyl)acrylate
• 英文别名: ethyl (E)-3-(4-ethoxyphenyl)acrylate；ethyl (E)-4-ethoxycinnamate；ethyl trans-4-ethoxycinnamate；4-ethoxy-trans-cinnamic acid ethyl ester；4-Aethoxy-trans-zimtsaeure-aethylester；Ethyl p-ethoxycinnamate；ethyl (E)-3-(4-ethoxyphenyl)prop-2-enoate
• CAS: 75332-46-6
• 化学式: C₁₃H₁₆O₃
• 分子量: 220.268
• InChiKey: XFRWZVXVZIQXFI-JXMROGBWSA-N

物化性质

• 熔点：
  38-42 °C (lit.)
• 闪点：
  230 °F

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  16
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  35.5
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• WGK Germany：
  3

SDS

Version 1.2
Regulation (EC) No 1907/2006

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1 - Product and Company Information

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Product Name ETHYL TRANS-4-ETHOXYCINNAMATE, 97%

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2 - Hazards Identification

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SPECIAL INDICATION OF HAZARDS TO HUMANS AND THE ENVIRONMENT
Not hazardous according to Directive 67/548/EEC.

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3 - Composition/Information on Ingredients

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Product Name CAS # EC no Annex I
Index Number
ETHYL TRANS-4-ETHOXYCINNAMATE, 97% 1504-69-4 216-130-8 None
Formula C13H16O3
Molecular Weight 227,2700 AMU

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4 - First Aid Measures

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AFTER INHALATION
If inhaled, remove to fresh air. If breathing becomes difficult,
call a physician.
AFTER SKIN CONTACT
In case of contact, immediately wash skin with soap and copious
amounts of water.
AFTER EYE CONTACT
In case of contact with eyes, flush with copious amounts of
water for at least 15 minutes. Assure adequate flushing by
separating the eyelids with fingers. Call a physician.
AFTER INGESTION
If swallowed, wash out mouth with water provided person is
conscious. Call a physician.

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5 - Fire Fighting Measures

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EXTINGUISHING MEDIA
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Suitable: Water spray. Carbon dioxide, dry chemical powder, or
appropriate foam.
SPECIAL RISKS
Specific Hazard(s): Emits toxic fumes under fire conditions.
SPECIAL PROTECTIVE EQUIPMENT FOR FIREFIGHTERS
Wear self-contained breathing apparatus and protective clothing
to prevent contact with skin and eyes.

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6 - Accidental Release Measures

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METHODS FOR CLEANING UP
Absorb on sand or vermiculite and place in closed containers for
disposal. Ventilate area and wash spill site after material
pickup is complete.

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7 - Handling and Storage

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HANDLING
Directions for Safe Handling: Avoid inhalation. Avoid contact
with eyes, skin, and clothing. Avoid prolonged or repeated
exposure.
STORAGE
Conditions of Storage: Keep tightly closed.

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8 - Exposure Controls / Personal Protection

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ENGINEERING CONTROLS
Safety shower and eye bath. Mechanical exhaust required.
GENERAL HYGIENE MEASURES
Wash thoroughly after handling.
PERSONAL PROTECTIVE EQUIPMENT
Respiratory Protection: Use respirators and components tested and
approved under appropriate government standards such as NIOSH (US)
or CEN (EU). Respiratory protection is not required. Where
protection is desired, use multi-purpose combination (US) or type
ABEK (EN 14387) respirator cartridges.
Hand Protection: Protective gloves.
Eye Protection: Chemical safety goggles.

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9 - Physical and Chemical Properties

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Appearance Physical State: Liquid
Property Value At Temperature or Pressure
pH N/A
BP/BP Range N/A
MP/MP Range 38,000. - 42,000 °C.
Flash Point 110,000 °C Method: closed cup
Flammability N/A
Autoignition Temp N/A
Oxidizing Properties N/A
Explosive Properties N/A
Explosion Limits N/A
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Vapor Pressure N/A
Partition Coefficient N/A
Viscosity N/A
Vapor Density N/A
Saturated Vapor Conc. N/A
Evaporation Rate N/A
Bulk Density N/A
Decomposition Temp. N/A
Solvent Content N/A
Water Content N/A
Surface Tension N/A
Conductivity N/A
Miscellaneous Data N/A
Solubility N/A

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10 - Stability and Reactivity

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STABILITY
Stable: Stable.
Materials to Avoid: Strong oxidizing agents.
HAZARDOUS DECOMPOSITION PRODUCTS
Hazardous Decomposition Products: Carbon monoxide, Carbon dioxide.
HAZARDOUS POLYMERIZATION
Hazardous Polymerization: Will not occur

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11 - Toxicological Information

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SIGNS AND SYMPTOMS OF EXPOSURE
To the best of our knowledge, the chemical, physical, and
toxicological properties have not been thoroughly investigated.
ROUTE OF EXPOSURE
Skin Contact: May cause skin irritation.
Skin Absorption: May be harmful if absorbed through the skin.
Eye Contact: May cause eye irritation.
Inhalation: Material may be irritating to mucous membranes and
upper respiratory tract. May be harmful if inhaled.
Ingestion: May be harmful if swallowed.

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12 - Ecological Information

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No data available.

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13 - Disposal Considerations

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SUBSTANCE DISPOSAL
Contact a licensed professional waste disposal service to dispose
of this material. Dissolve or mix the material with a combustible
solvent and burn in a chemical incinerator equipped with an
afterburner and scrubber. Observe all federal, state, and local
environmental regulations.

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14 - Transport Information

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RID/ADR
Non-hazardous for road transport.
IMDG
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Non-hazardous for sea transport.
IATA
Non-hazardous for air transport.

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15 - Regulatory Information

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Not hazardous according to Directive 67/548/EEC.
COUNTRY SPECIFIC INFORMATION
Germany
WGK: 3
Self-Classification

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16 - Other Information

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WARRANTY
The above information is believed to be correct but does not
purport to be all inclusive and shall be used only as a guide. The
information in this document is based on the present state of our
knowledge and is applicable to the product with regard to
appropriate safety precautions. It does not represent any
guarantee of the properties of the product. Inc.,
shall not be held liable for any damage resulting from handling or
from contact with the above product. See reverse side of invoice
or packing slip for additional terms and conditions of sale.
Copyright 2010 Co. License granted to make
unlimitedpaper copies for internal use only.
DISCLAIMER
For R&D use only. Not for drug, household or other uses.
ALDRICH www.molbase.com

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  反-4-乙氧基肉桂酸乙酯 在 potassium permanganate 、 二溴亚砜 、 sodium dichromate 、 乙醇 、 alkaline solution 、 硫酸 、 sodium 、 溶剂黄146 、 甲苯 作用下， 生成 对乙氧基苯甲酸
  参考文献：
  名称：

  van der Zanden, Recueil des Travaux Chimiques des Pays-Bas, 1939, vol. 58, p. 181,189

  摘要：

  DOI：
• 作为产物：
  描述：

  4-乙氧基苯甲醛 、 乙酸乙酯 在 sodium 作用下， 生成 反-4-乙氧基肉桂酸乙酯
  参考文献：
  名称：

  van der Zanden, Recueil des Travaux Chimiques des Pays-Bas, 1939, vol. 58, p. 181,189

  摘要：

  DOI：

文献信息

• SKIN EXTERNAL PREPARATIONS AND COSMETICS
  申请人：Aoki Hirobumi

  公开号：US20100280111A1

  公开（公告）日：2010-11-04

  An object of the present invention is to provide skin external preparations and cosmetics which contain a branched acyl carnitine and have excellent formulation stability. A skin external preparation of the present invention includes a carnitine derivative represented by the following Formula (1) and/or a carnitine derivative salt represented by the following Formula (2), and an amphoteric surfactant. In Formula (1), R 1 and R 2 are each independently a C1-18 optionally branched, saturated or unsaturated aliphatic hydrocarbon group. In Formula (2), R 1 and R 2 are the same as in Formula (1), X − is a specific anion and Y + is a specific cation.

  本发明的一个目的是提供含有支链酰基肉碱并具有优异配方稳定性的皮肤外用制剂和化妆品。本发明的皮肤外用制剂包括以下式（1）所表示的肉碱衍生物和/或以下式（2）所表示的肉碱衍生物盐，以及一种两性表面活性剂。在式（1）中，R1和R2分别独立地是C1-18的可选支链、饱和或不饱和脂肪烃基。在式（2）中，R1和R2与式（1）中相同，X−是特定的阴离子，Y+是特定的阳离子。
• [EN] A SKIN CARE AND COSMETIC PREPARATION CONTAINING AN INOSITOL DERIVATIVE<br/>[FR] UNE PRÉPARATION COSMÉTIQUE ET DERMATOLOGIQUE CONTENANT UN DÉRIVÉ INOSITOL
  申请人：SHOWA DENKO KK

  公开号：WO2005092285A1

  公开（公告）日：2005-10-06

  The present invention discloses a preparation to be applied externally to the skin which contains an inositol derivative in which an inositol and a saccharide are combined. The invention aims to provide an external skin preparation that can be spread over skin without causing a granular feeling and has excellent moisturising effects and of keeping the skin healthy.

  本发明公开了一种用于外部涂抹于皮肤的制剂，其中包含一种肌醇衍生物，该肌醇衍生物中结合了肌醇和一种糖类。该发明旨在提供一种外用皮肤制剂，可以在皮肤上涂抹而不会产生颗粒感，具有优秀的保湿效果，并保持皮肤健康。
• Conjugate addition of organocopper reagents in dichloromethane to α,β-unsaturated esters
  作者：Jingyue Yang、Gregory B. Dudley

  DOI：10.1016/j.tetlet.2007.08.105

  日期：2007.10

  Organocopper reagents in conjunction with Lewis acid activators provide greater stability than traditional cuprate reagents while maintaining the reactivity needed for conjugate addition reactions in dichloromethane. Whereas cuprates engage in cross-coupling pathways, organocopper nucleophiles are more selective for conjugate addition. The utility of organocopper reagents in dichloromethane for the

  有机铜试剂与路易斯酸活化剂的结合提供了比传统铜酸盐试剂更高的稳定性，同时保持了二氯甲烷中共轭加成反应所需的反应性。铜酸盐参与交叉偶联途径，而有机铜亲核试剂对缀合物的添加更具选择性。本文进一步扩展了有机铜试剂在二氯甲烷中用于缀合至α，β-不饱和酯的用途。
• BF₃·OEt₂-mediated syn-selective Meyer–Schuster rearrangement of phenoxy propargyl alcohols for Z-β-aryl-α,β-unsaturated esters
  作者：Surendra Puri、Madala Hari Babu、Maddi Sridhar Reddy

  DOI：10.1039/c6ob01090c

  日期：——

  1-aryl-3-phenoxy propargyl alcohols is achieved via a BF3-mediated syn-selective Meyer–Schuster rearrangement under ambient conditions. The reaction mechanism is postulated to involve an electrophilic borylation of an allene intermediate as the key step to kinetically control the stereoselectivity.

  通过在环境条件下通过BF 3介导的顺选择性Meyer-Schuster重排，可以从容易获得的1-芳基-3-苯氧基炔丙基醇合成Z -β-芳基-α，β-不饱和酯。假定该反应机理涉及丙二烯中间体的亲电子硼化，这是动力学控制立体选择性的关键步骤。
• [EN] EXTERNAL PREPARATION FOR SKIN<br/>[FR] PREPARATION EXTERNE POUR LA PEAU
  申请人：SHOWA DENKO KK

  公开号：WO2005094777A1

  公开（公告）日：2005-10-13

  The present invention provides an external preparation for skin, which comprises a multi-branched polysaccharide derivative with multi-branched polysaccharide skeleton consisting of saccharides as constituent units, wherein at least one of hydroxyl (OH) groups in the multi-branched polysaccharide skeleton is substituted by OR (wherein R represents a hydrogen atom, a hydrocarbon having 1 to 30 carbon groups or a hydrocarbon having 1 to 30 carbon groups which has hetero atom), which can give moisture and turgor to the skin, and cosmetics containing the external preparation.

  本发明提供了一种用于皮肤的外用制剂，其包括一种多支链多糖衍生物，该多支链多糖骨架由糖组成的多支链多糖骨架组成，其中多支链多糖骨架中的至少一个羟基（OH）被取代为OR（其中R代表氢原子、具有1至30个碳基团的碳氢化合物或具有1至30个碳基团的碳氢化合物，其具有杂原子），可以为皮肤提供水分和弹性，并且含有该外用制剂的化妆品。