1,2-(二十二烷氧荃)苯 | 42244-53-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 中文名称: 1,2-(二十二烷氧荃)苯
• 中文别名: 1,2-(二十二基氧基)苯
• 英文名称: 1,2-bisdodecyloxybenzene
• 英文别名: 1,2-didodecyloxybenzene；1,2-Bis(dodecyloxy)benzene；1,2-didodecoxybenzene
• CAS: 42244-53-1
• 化学式: C₃₀H₅₄O₂
• 分子量: 446.758
• InChiKey: QZKHVGBCTSNCTL-UHFFFAOYSA-N

物化性质

• 熔点：
  45-48 °C
• 沸点：
  516.03°C (rough estimate)
• 密度：
  0.8986 (rough estimate)
• 稳定性/保质期：
  遵照规定使用和储存，则不会分解。

计算性质

• 辛醇/水分配系数(LogP)：
  12.9
• 重原子数：
  32
• 可旋转键数：
  24
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  18.5
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 安全说明：
  S24/25
• 海关编码：
  2909309090
• 储存条件：
  存于阴凉干燥处。

SDS

Name:	1 2-(Didodecyloxy)benzene 98% (GC) Material Safety Data Sheet
Synonym:	None known
CAS:	42244-53-1

Section 1 - Chemical Product MSDS Name:1 2-(Didodecyloxy)benzene 98% (GC) Material Safety Data Sheet
Synonym:None known

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
42244-53-1	1,2-(Didodecyloxy)benzene	98	unlisted

Hazard Symbols: None Listed.
Risk Phrases: None Listed.

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
The toxicological properties of this material have not been fully investigated.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation.
Ingestion:
May cause irritation of the digestive tract. The toxicological properties of this substance have not been fully investigated.
Inhalation:
May cause respiratory tract irritation. The toxicological properties of this substance have not been fully investigated.
Chronic:
No information found.

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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. Wash clothing before reuse.
Ingestion:
Never give anything by mouth to an unconscious person. Get medical aid. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or water.
Inhalation:
Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid.
Notes to Physician:

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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. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion.
Extinguishing Media:
Use agent most appropriate to extinguish fire. Use water spray, dry chemical, carbon dioxide, or appropriate foam.

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Section 6 - ACCIDENTAL RELEASE MEASURES
General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Clean up spills immediately, observing precautions in the Protective Equipment section. Sweep up, then place into a suitable container for disposal. Avoid generating dusty conditions. Provide ventilation.

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Section 7 - HANDLING and STORAGE
Handling:
Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Use with adequate ventilation. Minimize dust generation and accumulation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation.
Storage:
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

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Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 42244-53-1: Personal Protective Equipment Eyes: Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to prevent skin exposure.
Respirators:
A respiratory protection program that meets OSHA's 29 CFR 1910.134 and ANSI Z88.2 requirements or European Standard EN 149 must be followed whenever workplace conditions warrant respirator use.

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Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Solid
Color: white
Odor: None reported.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 45.00 - 48.00 deg C
Autoignition Temperature: Not applicable.
Flash Point: Not applicable.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C30H54O2
Molecular Weight: 446.76

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, dust generation, excess heat, strong oxidants.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Carbon monoxide, irritating and toxic fumes and gases, carbon dioxide.
Hazardous Polymerization: Has not been reported.

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 42244-53-1 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
1,2-(Didodecyloxy)benzene - 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
Not regulated as a hazardous material.
IMO
Not regulated as a hazardous material.
RID/ADR
Not regulated as a hazardous material.

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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.
S 28A After contact with skin, wash immediately with
plenty of water.
S 37 Wear suitable gloves.
S 45 In case of accident or if you feel unwell, seek
medical advice immediately (show the label where
possible).
WGK (Water Danger/Protection)
CAS# 42244-53-1: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 42244-53-1 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 42244-53-1 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：

  1,2-(二十二烷氧荃)苯 在 palladium 10% on activated carbon 、 硝酸 、 一水合肼 作用下， 以 乙醇 、 二氯甲烷 为溶剂， 反应 18.5h， 生成 4,5-bis(dodecyloxy)benzene-1,2-diamine
  参考文献：
  名称：

  Room temperature liquid crystalline perylene diester benzimidazoles with extended absorption

  摘要：

  本文介绍了新型不对称取代盘状分子--过烯二酯苯并咪唑（PDBIs）的合成、表征和趋热特性。PDBIs 的设计在过烯四羧酸核心的 3、4 位上有一个咪唑单元，在 9、10 位上有一个双酯分子。通过在酯基上添加直链或支链脂肪族取代基，在苯并咪唑单元上添加两个烷基或烷氧基取代基，保证了足够的溶解度和获得介相的灵活性。研究人员使用差示扫描量热法（DSC）、偏振光学显微镜（POM）和 X 射线衍射测量法（XRD）对热各向同性行为进行了研究，这种行为受到二酯和苯并咪唑各自取代基性质的强烈影响。所研究的所有 PDBI 都能自组织成液晶柱状六方相（Colh），其中 PDBI-3 甚至能在室温下自组织成液晶柱状六方相。此外，还观察到室温下柱状塑性相（Colhp）的形成和片状相的形成。由于π-共轭体系的扩展，这些溶解性很好的 Discogens 的吸收明显扩展到可见光范围内更长的波长，最高可达 680 纳米。

  DOI：

  10.1039/c0jm01626h
• 作为产物：
  描述：

  十二烷醇 在 吡啶 、 potassium tert-butylate 作用下， 以 异丙醇 为溶剂， 反应 5.0h， 生成 1,2-(二十二烷氧荃)苯
  参考文献：
  名称：

  Guemues, G.; Ahsen, V., Molecular Crystals and Liquid Crystals Science and Technology, Section A: Molecular Crystals and Liquid Crystals, 2000, vol. 348, p. 167 - 178

  摘要：

  DOI：

文献信息

• Columnar and Smectic Liquid Crystals Based on Crown Ethers
  作者：Nelli Steinke、Wolfgang Frey、Angelika Baro、Sabine Laschat、Christina Drees、Manfred Nimtz、Constanze Hägele、Frank Giesselmann

  DOI：10.1002/chem.200500903

  日期：2006.1.23

  prepared from 3,4-dialkoxyphenylbromides 2. Complexation with metal salts MX (M = Na, Cs) afforded the corresponding derivatives MX5. The uncomplexed crown ethers 5 h and 5 i, with dodecyloxy and tetradecyloxy side chains, respectively, exhibit liquid crystalline properties. In the series of complexed crown ethers, liquid crystal properties appeared as early as NaI5 f with C9H19 side chains. Whereas the

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  DOI：10.1039/c4nj02192d

  日期：——

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  DOI：10.1039/c7tc01425b

  日期：——

  of bis-(boron difluoride) complexes 1a–c derived from substituted tetraketonates 2a–c are reported, and their mesomorphic and optical properties have been investigated. Two single crystals of mesogenic ligand 2a (n = 6) and nonmesogenic diboron complex 1a (n = 14) were obtained, and their single crystal and molecular structures were resolved. Results show that all 2a ligands (n = 6, 8, 10, 12, 14) formed

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  DOI：10.1016/j.dyepig.2018.07.052

  日期：2019.1

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  DOI：10.1039/c6tc00197a

  日期：——

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