反式-2-甲氧基肉桂酸 | 1011-54-7

• 物质功能分类: 有机原料 - 羧酸类化合物及衍生物
• 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: 反式-2-甲氧基肉桂酸
• 中文别名: 邻甲氧基桂皮酸；2-甲氧基肉桂酸；反-O-甲基邻香豆酸
• 英文名称: 2-methoxycinnamic acid
• 英文别名: (E)-3-(2-methoxyphenyl)acrylic acid；trans-2-methoxycinnamic acid；(E)-3-(2-methoxyphenyl)prop-2-enoic acid
• CAS: 1011-54-7
• 化学式: C₁₀H₁₀O₃
• mdl: MFCD00004375
• 分子量: 178.188
• InChiKey: FEGVSPGUHMGGBO-VOTSOKGWSA-N

物化性质

• 熔点：
  182-186 °C
• 沸点：
  325.1±17.0 °C(Predicted)
• 密度：
  1.195±0.06 g/cm3(Predicted)
• 溶解度：
  在热甲醇中几乎透明
• LogP：
  2.540
• 保留指数：
  1685.6;1625
• 稳定性/保质期：

  常温常压下稳定，避免与氧化物接触。

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  13
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  46.5
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 危险品标志：
  Xi
• 安全说明：
  S26,S37/39
• 危险类别码：
  R36/37/38
• 危险性防范说明：
  P264,P280,P302+P352+P332+P313+P362+P364,P305+P351+P338+P337+P313
• 危险性描述：
  H315,H319
• 储存条件：
  请将容器密封保存，并存放在阴凉干燥处。

SDS

trans-2-Methoxycinnamic Acid Revision number: 5
SAFETY DATA SHEET

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Section 1. IDENTIFICATION
Product name: trans-2-Methoxycinnamic Acid

Revision number: 5

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Section 2. HAZARDS IDENTIFICATION
GHS classification
PHYSICAL HAZARDS Not classified
HEALTH HAZARDS
Skin corrosion/irritation Category 2
Category 2A
Serious eye damage/eye irritation
ENVIRONMENTAL HAZARDS Not classified
GHS label elements, including precautionary statements
Pictograms or hazard symbols
Signal word Warning
Hazard statements Causes skin irritation
Causes serious eye irritation
Precautionary statements:
Wash hands thoroughly after handling.
[Prevention]
Wear protective gloves/eye protection/face protection.
IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses,
[Response]
if present and easy to do. Continue rinsing.
If eye irritation persists: Get medical advice/attention.
IF ON SKIN: Gently wash with plenty of soap and water.
If skin irritation occurs: Get medical advice/attention.
Take off contaminated clothing and wash before reuse.

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Section 3. COMPOSITION/INFORMATION ON INGREDIENTS
Substance/mixture: Substance
Components: trans-2-Methoxycinnamic Acid
Percent: ....
CAS Number: 1011-54-7
Synonyms: trans-O-Methyl-o-coumaric Acid , trans-O-Methyl-o-cumaric Acid
C10H10O3
Chemical Formula:

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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.
trans-2-Methoxycinnamic Acid

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Section 4. FIRST AID MEASURES
Skin contact: Remove/Take off immediately all contaminated clothing. Gently wash with plenty of
soap and water. 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:
Precautions for firefighters: 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
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
Precautions for safe handling
Technical measures: Handling is performed in a well ventilated place. Wear suitable protective equipment.
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.
Conditions for safe storage, including any
incompatibilities
Storage conditions: Keep container tightly closed. Store in a cool and dark place.
Store away from incompatible materials such as oxidizing agents.
Packaging material: Comply with laws.

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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.
Hand protection: Protective gloves.
Safety glasses. A face-shield, if the situation requires.
Eye protection:
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
Crystal- Powder
Form:
Colour: White - Slightly pale reddish yellow
No data available
Odour:
pH: No data available
Melting point/freezing point:186°C
trans-2-Methoxycinnamic Acid

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Section 9. PHYSICAL AND CHEMICAL PROPERTIES
Boiling point/range: No data available
Flash point: No data available
Flammability or explosive
limits:
Lower: No data available
Upper: No data available
Relative density: No data available
Solubility(ies):
[Water] No data available
No data available
[Other solvents]

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Section 10. STABILITY AND REACTIVITY
Chemical stability: Stable under proper conditions.
Possibility of hazardous No special reactivity has been reported.
reactions:
Incompatible materials: Oxidizing agents
Hazardous decomposition Carbon monoxide, Carbon dioxide
products:

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Section 11. TOXICOLOGICAL INFORMATION
No data available
Acute Toxicity:
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):
Mobility 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
trans-2-Methoxycinnamic Acid

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Section 15. REGULATORY INFORMATION
Safe management ordinance of dangerous chemical product (State Council announces on January 26, 2002
and revised on February 16,2011): 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：

  反式-2-甲氧基肉桂酸 在 chloroamine-T 、 草酸 作用下， 以 水 为溶剂， 生成 邻甲氧基苯甲醛
  参考文献：
  名称：

  Os（VIII）催化在碱性介质中用氯胺-T氧化某些取代的反式肉桂酸的动力学和机理—非线性Hammett曲线

  摘要：

  研究了在碱性介质存在下，Os（VIII）催化氯胺-T氧化某些取代的反式肉桂酸的动力学和机理。相对于[CAT]的顺序为零，并且为[OsO] 1。该反应在[底物]中是分数阶的。对[OH]的速率依赖性是反一阶的。释放电子的和吸收电子的取代基都促进反应速率。相对于哈米特常数σ绘制观察到的取代基的速率常数，得到非线性的“ V”形曲线。吸电子取代基落在曲线的一侧，具有负的ϱ值，而释放电子的取代基落在曲线的另一侧，具有正ϱ值。Hammett图的中断是由于过渡状态的性质变化所致。

  DOI：

  10.1016/s0040-4020(01)85705-7
• 作为产物：
  描述：

  (E)-2-氰基-3-(2-甲氧基苯基)-2-丙烯酸乙酯 在 硫酸 、 溶剂黄146 作用下， 生成 反式-2-甲氧基肉桂酸
  参考文献：
  名称：

  Hach; Protiva, Collection of Czechoslovak Chemical Communications, 1958, vol. 23, p. 1902,1907

  摘要：

  DOI：
• 作为试剂：
  描述：

  在 4-二甲氨基吡啶 、 反式-2-甲氧基肉桂酸 、 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 反应 5.0h， 生成 (S)-N-cinnamoylserine(benzoyl)cyclohexylamide
  参考文献：
  名称：

  设计和合成一系列丝氨酸衍生物作为SARS冠状病毒3CL蛋白酶的小分子抑制剂

  摘要：

  描述了具有对SARS 3CL蛋白酶的抑制剂具有必需功能基团的丝氨酸衍生物的合成以及使用SARS 3CL R188I突变体蛋白酶评估其抑制活性。基于四肽醛和Bai的肉桂酸酯抑制剂设计了先导化合物，即功能化的丝氨酸衍生物，并在GOLD柔软服装上进行了模拟。为候选化合物的结构活性关系研究提供了针对SARS 3CL R188I突变蛋白酶的合理抑制剂ent- 3和ent- 7k。这些抑制剂显示出蛋白酶选择性并且没有细胞毒性。

  DOI：

  10.1016/j.bmc.2016.01.052

文献信息

• Additives and products including oligoesters
  申请人：——

  公开号：US20030199593A1

  公开（公告）日：2003-10-23

  The present invention relates to oligoesters and their use or the creation of additives. Oligoester containing additives and/or oligoesters themselves may be used for formulating pharmaceutical preparations, cosmetics or personal care products such as shampoos and conditioners. These oligoesters are particularly useful for the creation of multi-purpose additives that can impart conditioning, long substantivity and/or UV protection. Individual oligoesters and oligoester mixtures are described.

  本发明涉及寡酯及其用途或添加剂的制备。含有寡酯的添加剂和/或寡酯本身可用于配制药物制剂、化妆品或个人护理产品，如洗发水和护发素。这些寡酯对于制备能够赋予调理、长效性和/或紫外线保护的多功能添加剂特别有用。描述了单独的寡酯和寡酯混合物。
• [EN] ENCAPSULATES<br/>[FR] PRODUITS ENCAPSULÉS
  申请人：PROCTER & GAMBLE

  公开号：WO2013022949A1

  公开（公告）日：2013-02-14

  The present application relates to encapsulates, compositions, products comprising such encapsulates, and processes for making and using such encapsulates. Such encapsulates comprise a core comprising a perfume and a shell that encapsulates said core, such encapsulates may optionally comprise a parametric balancing agent, such shell comprising one or more azobenzene moieties.

  本申请涉及封装体、组合物、包含这种封装体的产品，以及制备和使用这种封装体的方法。这种封装体包括一个包含香水的核心和封装该核心的壳，这种封装体可以选择性地包含一个参数平衡剂，该壳包括一个或多个偶氮苯基团。
• Copper catalyzed oxygen assisted C(CNOH)–C(alkyl) bond cleavage: a facile conversion of aryl/aralkyl/vinyl ketones to aromatic acids
  作者：Pochampalli Sathyanarayana、Owk Ravi、Prathap Reddy Muktapuram、Surendar Reddy Bathula

  DOI：10.1039/c5ob01569c

  日期：——

  A novel copper-catalyzed aerobic oxidative C(NOH)–C(alkyl) bond cleavage reaction of aryl/aralkyl/vinyl ketones for the synthesis of aromatic/acrylic acids is described. A series of ketones having aryl/aralkyl/vinyl at the one end and methyl to any higher alkyl at the other end can be selectively cleaved and converted into the corresponding acids via oxime intermediates.

  描述了一种新型的铜催化的芳基/芳烷基/乙烯基酮的需氧氧化C（NOH）-C（烷基）键裂解反应，用于合成芳族/丙烯酸。可以选择性地裂解在一端具有芳基/芳烷基/乙烯基而在另一端具有甲基至任何高级烷基的一系列酮，并通过肟中间体将其转化为相应的酸。
• PHOTOPROTECTIVE COMPOSITIONS COMPRISING PHOTOSENSITIVE 1,3,5-TRIAZINE COMPOUNDS, DIBENZOYLMETHANE COMPOUNDS AND SILICEOUS S-TRIAZINES SUBSTITUTED WITH TWO AMINOBENZOATE OR AMINOBENZAMIDE GROUPS
  申请人：L'OREAL

  公开号：US20170135933A1

  公开（公告）日：2017-05-18

  UV-photoprotective, topically applicable cosmetic/dermatological compositions contain: (a) at least one dibenzoylmethane compound, (b) at least one 1,3,5-triazine compound that is photosensitive in the presence of a dibenzoylmethane compound, and (c) at least one siliceous s-triazine compound substituted with two aminobenzoate or aminobenzamide groups, or a tautomeric form thereof, the 1,3,5-triazine compounds being improvedly photostable in such compositions.

  UV-光保护，可局部应用的化妆品/皮肤科组合物包含： (a) 至少一种二苯甲酮化合物， (b) 至少一种1,3,5-三嗪化合物，在二苯甲酮化合物存在时对光敏感，以及 (c) 至少一种含有两个氨基苯甲酸酯或氨基苯酰胺基团的硅质s-三嗪化合物，或其互变异构体，这些1,3,5-三嗪化合物在这种组合物中具有改进的光稳定性。
• BORON-CONTAINING SMALL MOLECULES
  申请人：Xia Yi

  公开号：US20100256092A1

  公开（公告）日：2010-10-07

  This invention relates to, among other items, 6-substituted benzoxaborole compounds and their use for treating bacterial infections.

  这项发明涉及6-取代苯硼酯化合物等物品，以及它们用于治疗细菌感染的用途。

表征谱图