4-(6-羟基己氧基)苯甲酸 4-甲氧基苯酯 | 137407-31-9

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 缩酚酸和缩酚酸环醚类
• 中文名称: 4-(6-羟基己氧基)苯甲酸 4-甲氧基苯酯
• 中文别名: 4-(6-羟基己氧基)苯甲酸-4-甲氧基苯酯；4-(6-羟基己氧基)苯甲酸4-甲氧基苯酯；4-(6-羟基己氧基)苯甲酸对甲氧酯；4-甲氧基苯基4-(6-羟基己氧基)苯甲酸
• 英文名称: 4-(6-Hydroxyhexyloxy)benzoic Acid 4-Methoxyphenyl Ester
• 英文别名: (4-methoxyphenyl) 4-(6-hydroxyhexoxy)benzoate
• CAS: 137407-31-9
• 化学式: C₂₀H₂₄O₅
• 分子量: 344.408
• InChiKey: KTTALHXKXPIECT-UHFFFAOYSA-N

物化性质

• 熔点：
  100 °C
• 沸点：
  517.3±45.0 °C(Predicted)
• 密度：
  1.144±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  25
• 可旋转键数：
  11
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  65
• 氢给体数：
  1
• 氢受体数：
  5

安全信息

• 海关编码：
  2918990090

SDS

4-Methoxyphenyl 4-(6-Hydroxyhexyloxy)benzoate Revision number: 5
SAFETY DATA SHEET

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Section 1. IDENTIFICATION
Product name: 4-Methoxyphenyl 4-(6-Hydroxyhexyloxy)benzoate

Revision number: 5

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Section 2. HAZARDS IDENTIFICATION
GHS classification
PHYSICAL HAZARDS Not classified
Not classified
HEALTH HAZARDS
ENVIRONMENTAL HAZARDS Not classified
GHS label elements, including precautionary statements
Pictograms or hazard symbols None
No signal word
Signal word
Hazard statements None
None
Precautionary statements:

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Section 3. COMPOSITION/INFORMATION ON INGREDIENTS
Substance/mixture: Substance
Components: 4-Methoxyphenyl 4-(6-Hydroxyhexyloxy)benzoate
Percent: ....
CAS Number: 137407-31-9
Synonyms: 4-(6-Hydroxyhexyloxy)benzoic Acid 4-Methoxyphenyl Ester
Chemical Formula: C20H24O5

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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:
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.
4-Methoxyphenyl 4-(6-
Hydroxyhexyloxy)benzoate

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Section 5. FIRE-FIGHTING MEASURES
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
Handling is performed in a well ventilated place. Wear suitable protective equipment.
Technical measures:
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
Install a closed system or local exhaust as possible so that workers should not be
Engineering controls:
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.
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): Solid
Form: Crystal- Powder
Colour: White - Very pale yellow
Odour: No data available
pH: No data available
Melting point/freezing point:100°C
No data available
Boiling point/range:
Flash point: No data available
Flammability or explosive
limits:
No data available
Lower:
Upper: No data available
No data available
Relative density:
Solubility(ies):
[Water] No data available
[Other solvents] No data available

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Section 10. STABILITY AND REACTIVITY
Stable under proper conditions.
Chemical stability:
Possibility of hazardous No special reactivity has been reported.
reactions:
Incompatible materials: Oxidizing agents
4-Methoxyphenyl 4-(6-
Hydroxyhexyloxy)benzoate

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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
No data available
Serious eye
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
Bioaccumulative No data available
potential(BCF):
Mobility 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 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
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
and revised on February 16,2011): Safe use and production, the storage of a dangerous chemical, transport,
loading and unloading were prescribed.
4-Methoxyphenyl 4-(6-
Hydroxyhexyloxy)benzoate

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  乙烯磺酰氯 、 4-(6-羟基己氧基)苯甲酸 4-甲氧基苯酯 在 4-二甲氨基吡啶 、 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 1.0h， 以75%的产率得到(4-Methoxyphenyl) 4-(6-ethenylsulfonyloxyhexoxy)benzoate
  参考文献：
  名称：

  Vinylsulfone derivative, liquid crystal composition comprising the same and compensation film using the same liquid crystal composition

  摘要：

  揭示了一种乙烯砜衍生物，包括该乙烯砜衍生物的液晶组合物，以及使用相同液晶组合物的液晶显示装置的补偿膜。更具体地说，该乙烯砜衍生物是一种高质量视角补偿膜的液晶材料，与从正面测量的对比度相比，在倾斜角度测量时改善了对比度，并最小化了在黑色状态下根据视角的颜色变化。

  公开号：

  US07910179B2
• 作为产物：
  描述：

  6-溴正己醇 在 sodium hydride 、 sodium iodide 作用下， 以 N,N-二甲基甲酰胺 、 丙酮 为溶剂， 生成 4-(6-羟基己氧基)苯甲酸 4-甲氧基苯酯
  参考文献：
  名称：

  Synthesis and Physical Properties of Ferrocene Derivatives (XXV) Liquid Crystallinity of 1,3-Disubstituted Ferrocene Derivatives

  摘要：

  Liquid crystallinity of 1,3-disubstituted ferrocene derivatives was studied by DSC and polarizing microscope. The name of the derivatives is 1,3-bis[omega-[4-(4-methoxyphenoxycarbonyl)phenoxy]alkyloxycarbonyl]ferrocene. Nine members from n = 2 to 10 were synthesized (n is carbon number of alkyl chain in the sample). All samples except n = 2 and 4 exhibited monotropic nematic liquid crystalline phase. In addition, smectic X (not yet completely identified) was also observed in n = 8 and 10. Liquid crystalline phase transition phenomena were discussed from a viewpoint of molecular shape.

  DOI：

  10.1080/15421406.2011.581526

文献信息

• Synthesis and Physical Properties of Ferrocene Derivatives (XXIII) Phase Transition and Unique Molecular Structure of Monosubstituted Ferrocene Derivatives
  作者：Naotake Nakamura、Kazuya Hiro∗、Masako Nishikawa∗∗、Takashi Okabe∗∗∗、Kenjiro Uno

  DOI：10.1080/15421400903400829

  日期：2010.2.5

  The monosubstituted ferrocene derivatives, omega-[4-(4-methoxyphenoxycarbonyl) phenoxy]alkoxycarbonyl ferrocene, were synthesized in order to compare the liquid crystallinity to that of disubstituted ferrocene derivatives, 1,1'-bis[omega-[4-(4-methoxyphenoxycarbonyl) phenoxy] alkoxycarbonyl] ferrocene. Some of the monosubstituted ferrocene derivatives containing relatively longer flexible spacer showed the liquid crystalline phase, nematic and/or smectic phases. The crystal structure of 2-[4-(4-methoxyphenoxycarbonyl) phenoxy] ethoxycarbonyl ferrocene was determined by X-ray diffraction method using a single crystal. The molecular structure revealed a bent structure that is almost a half of "Z'' shaped molecular structure of 1,1'-bis[2-[4-(4-methoxyphenoxycarbonyl)phenoxy]ethoxycarbonyl]ferrocene.
• US7910179B2
  申请人：——

  公开号：US7910179B2

  公开（公告）日：2011-03-22
• Vinylsulfone derivative, liquid crystal composition comprising the same and compensation film using the same liquid crystal composition
  申请人：LG Chem, Ltd.

  公开号：US07910179B2

  公开（公告）日：2011-03-22

  Disclosed are a vinylsulfone derivative, a liquid crystal composition comprising the same, and a compensation film for a liquid crystal display device using the same liquid crystal composition. More particularly, the vinylsulfone derivative is a liquid crystal material of a high-quality view angle compensation film, which improves a contrast ratio measured at a tilt angle when compared to a contrast ratio measured from the front surface and minimizes color variations in a black state depending on view angles.

  揭示了一种乙烯砜衍生物，包括该乙烯砜衍生物的液晶组合物，以及使用相同液晶组合物的液晶显示装置的补偿膜。更具体地说，该乙烯砜衍生物是一种高质量视角补偿膜的液晶材料，与从正面测量的对比度相比，在倾斜角度测量时改善了对比度，并最小化了在黑色状态下根据视角的颜色变化。
• Synthesis and Physical Properties of Ferrocene Derivatives (XXV) Liquid Crystallinity of 1,3-Disubstituted Ferrocene Derivatives
  作者：Naotake Nakamura、Shinya Kagawa

  DOI：10.1080/15421406.2011.581526

  日期：2011.10.28

  Liquid crystallinity of 1,3-disubstituted ferrocene derivatives was studied by DSC and polarizing microscope. The name of the derivatives is 1,3-bis[omega-[4-(4-methoxyphenoxycarbonyl)phenoxy]alkyloxycarbonyl]ferrocene. Nine members from n = 2 to 10 were synthesized (n is carbon number of alkyl chain in the sample). All samples except n = 2 and 4 exhibited monotropic nematic liquid crystalline phase. In addition, smectic X (not yet completely identified) was also observed in n = 8 and 10. Liquid crystalline phase transition phenomena were discussed from a viewpoint of molecular shape.