4-十二烷基苯酚 | 104-43-8

• 物质功能分类: 有机原料 - 醇、酚、酚醇类化合物及衍生物 - 酚及其卤化、磺化、硝化或亚硝化衍生物
• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 中文名称: 4-十二烷基苯酚
• 中文别名: 对十二烷基苯酚
• 英文名称: 4-dodecylphenol
• 英文别名: p-dodecylphenol；4-n-dodecylphenol；dodecyl phenol；para-dodecyl phenol
• CAS: 104-43-8
• 化学式: C₁₈H₃₀O
• mdl: MFCD00039521
• 分子量: 262.436
• InChiKey: KJWMCPYEODZESQ-UHFFFAOYSA-N

物化性质

• 熔点：
  78°C (estimate)
• 沸点：
  310-335 °C(lit.)
• 密度：
  0.94 g/mL at 25 °C(lit.)
• 闪点：
  >230 °F
• 保留指数：
  2213

计算性质

• 辛醇/水分配系数(LogP)：
  7.5
• 重原子数：
  19
• 可旋转键数：
  11
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.666
• 拓扑面积：
  20.2
• 氢给体数：
  1
• 氢受体数：
  1

安全信息

• 危险品标志：
  C
• 安全说明：
  S26,S36/37/39,S45
• 危险类别码：
  R34
• 储存条件：
  存放于室温且保持在惰性气体中

SDS

Name:	Dodecylphenol mixture of isomers Material Safety Data Sheet
Synonym:	None
CAS:	104-43-8

Section 1 - Chemical Product MSDS Name:Dodecylphenol mixture of isomers Material Safety Data Sheet
Synonym:None

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
104-43-8	Phenol, 4-dodecyl-	>90	203-202-9

Hazard Symbols: C
Risk Phrases: 34

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Causes burns.
Potential Health Effects
Eye:
Causes eye burns.
Skin:
Causes skin burns.
Ingestion:
Causes gastrointestinal tract burns.
Inhalation:
Causes chemical burns to the respiratory tract.
Chronic:
Effects may be delayed.

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Section 4 - FIRST AID MEASURES
Eyes: In case of contact, immediately flush eyes with plenty of water for at least 15 minutes. Get medical aid immediately.
Skin:
In case of contact, immediately flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Get medical aid immediately. Wash clothing before reuse.
Ingestion:
If swallowed, do NOT induce vomiting. Get medical aid immediately.
If victim is fully conscious, give a cupful of water. Never give anything by mouth to an unconscious person.
Inhalation:
If inhaled, remove to fresh air. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid.
Notes to Physician:
Treat symptomatically and supportively.

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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. Use water spray to keep fire-exposed containers cool. Vapors may be heavier than air. They can spread along the ground and collect in low or confined areas. Containers may explode when heated.
Extinguishing Media:
Use agent most appropriate to extinguish fire. Cool containers with flooding quantities of water until well after fire is out. 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:
Absorb spill with inert material (e.g. vermiculite, sand or earth), then place in suitable container. Avoid runoff into storm sewers and ditches which lead to waterways. Clean up spills immediately, observing precautions in the Protective Equipment section. 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. 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# 104-43-8: CAS# 5284-29-7: CAS# 27193-86-8: Personal Protective Equipment Eyes: Wear chemical splash goggles.
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: Viscous liquid
Color: Clear
Odor: phenolic
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 310-335 deg C @ 760 mm Hg
Freezing/Melting Point: Not available.
Autoignition Temperature: Not available.
Flash Point: 163 deg C ( 325.40 deg F)
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water: Miscible.
Specific Gravity/Density: 0.945
Molecular Formula: C18H30O
Molecular Weight: 262.44

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable at room temperature in closed containers under normal storage and handling conditions.
Conditions to Avoid:
Excess heat.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Carbon monoxide, carbon dioxide.
Hazardous Polymerization: Has not been reported

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 104-43-8 unlisted.
CAS# 5284-29-7 unlisted.
CAS# 27193-86-8: SL3675000 LD50/LC50:
Not available.
Not available.
CAS# 27193-86-8: Draize test, rabbit, eye: 100 uL Moderate; Draize test, rabbit, skin: 500 uL Severe; Oral, rat: LD50 = 2100 mg/kg; Skin, rabbit: LD50 = 5 mL/kg.
Carcinogenicity:
Phenol, 4-dodecyl- - Not listed by ACGIH, IARC, or NTP.
Phenol, 2-dodecyl- - Not listed by ACGIH, IARC, or NTP.
Dodecylphenol, mixed isomers - Not listed by ACGIH, IARC, or NTP.
Other:
See actual entry in RTECS for complete information.

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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: C
Risk Phrases:
R 34 Causes burns.
Safety Phrases:
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 36/37/39 Wear suitable protective clothing, gloves
and eye/face protection.
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# 104-43-8: No information available.
CAS# 5284-29-7: No information available.
CAS# 27193-86-8: 2
Canada
CAS# 104-43-8 is listed on Canada's DSL List.
CAS# 27193-86-8 is listed on Canada's DSL List.
CAS# 104-43-8 is not listed on Canada's Ingredient Disclosure List.
CAS# 5284-29-7 is not listed on Canada's Ingredient Disclosure List.
CAS# 27193-86-8 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 104-43-8 is listed on the TSCA inventory.
CAS# 5284-29-7 is not listed on the TSCA inventory.
It is for research and development use only.
CAS# 27193-86-8 is listed on the TSCA inventory.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  4-十二烷基苯酚 在 吡啶 、 potassium fluoride 、 18-冠醚-6 、 lithium hydroxide monohydrate 、 水 、 硝酸 、 溶剂黄146 、 三乙胺 、 三氯氧磷 作用下， 以 四氢呋喃 为溶剂， 反应 43.5h， 生成
  参考文献：
  名称：

  折叠诱导折叠：芳香酰胺和1,2,3-三唑杂化螺旋的组装

  摘要：

  描述了由折叠诱导的折叠，用于从两种不同的芳香族序列构建人工杂交螺旋。设计并合成了线性化合物1a，1b和2，它们包含一种芳族酰胺三聚体或五聚体和一种或两种芳族1,2,3-三唑四聚体。三聚体和五酰胺链段是由intramolecluarÑ驱动H·⋅·F氢键键合成折叠或螺旋构象，而三唑片段固有地无序。在低极性有机溶剂中，酰胺折叠片段通过分子内堆叠诱导连接的三唑片段折叠，从而导致杂化螺旋的形成。这些杂合序列的螺旋构象已通过1 H和19 F NMR光谱，UV / Vis光谱，圆二色性（CD）实验和理论计算得到证实。已发现，与较短的三聚体相比，酰胺五聚体表现出更强的诱导所连接的三唑链段折叠的能力。对映体（R）-3和（S）-3还合成了在四酰胺链段末端含有R-或S-（1-萘基）乙氨基的基团。CD实验表明，引入手性基团会导致整个框架产生强烈的螺旋度偏差。（S）-3的密度泛函理论计算表明，该化合物以右旋（P）螺旋形式存在。

  DOI：

  10.1002/chem.201304161
• 作为产物：
  描述：

  月桂酰氯 在 盐酸 、 汞 、 锌 作用下， 以 乙醇 为溶剂， 生成 4-十二烷基苯酚
  参考文献：
  名称：

  THE PREPARATION OF SUBSTITUTED THIONOCARBAMATES

  摘要：

  描述了一系列取代硫代氨基甲酸酯的制备和性质。

  DOI：

  10.1139/v60-278
• 作为试剂：
  描述：

  、 苯酚 、 苯乙烯 、 在 4-十二烷基苯酚 、 2,3-Bis(1-phenylethyl)phenol 作用下， 80.0~100.0 ℃ 、53.33 kPa 条件下， 反应 123.0h， 以After 100 hours' operation, 2,840 parts (92% of theory, based on starting material II) of 4-(α-phenylethyl)-phenol of boiling point 136°-139° C./4 millibars are obtained, in addition to 155 parts (5% of theory, based on starting material II) of 2-(α-phenylethyl)-phenol and 47.2 parts (2% of theory, based on starting material II) of di-(α-phenylethyl)-phenol的产率得到4-十二烷基苯酚
  参考文献：
  名称：

  Manufacture of p-alkylphenols

  摘要：

  p-烷基酚是通过在反应混合物中悬浮粉状聚苯乙烯磺酸离子交换剂的存在下，将苯酚与烯烃连续反应制造而成。

  公开号：

  US04198531A1

文献信息

• FUNGICIDAL ISOXAZOLIDINES
  申请人：TSENG CHI-PING

  公开号：US20090270407A1

  公开（公告）日：2009-10-29

  Disclosed are compounds of Formula 1, including all geometric and stereoisomers, N-oxides, and salts thereof, wherein A, B, D, R 1 , R 2 , R 3 , X and m are as defined in the disclosure. Also disclosed are compositions containing the compounds of Formula 1 and methods for controlling plant disease caused by a fungal pathogen comprising applying an effective amount of a compound or a composition of the invention.

  公开的是Formula 1的化合物，包括所有的几何和立体异构体、N-氧化物和盐， 其中 A、B、D、R 1 、R 2 、R 3 、X和m如披露中所定义。 还公开了含有Formula 1化合物的组合物，以及用于控制由真菌病原体引起的植物疾病的方法，包括施用本发明的化合物或组合物的有效量。
• [EN] FUNGICIDAL PYRIDAZINES<br/>[FR] PYRIDAZINES FONGICIDES
  申请人：DU PONT

  公开号：WO2010036553A1

  公开（公告）日：2010-04-01

  Disclosed are compounds of Formula 1, including all geometric and stereoisomers, N-oxides, and salts thereof, wherein R1, R2, R3, R4, X, Y and m are as defined in the disclosure. Also disclosed are compositions containing the compounds of Formula 1 and methods for controlling plant disease caused by a fungal pathogen comprising applying an effective amount of a compound or a composition of the invention.

  公开的是Formula 1的化合物，包括所有的几何和立体异构体、N-氧化物和盐，其中R1、R2、R3、R4、X、Y和m如披露中所定义。还公开了含有Formula 1化合物的组合物，以及用于控制由真菌病原体引起的植物疾病的方法，包括施用本发明的化合物或组合物的有效量。
• [EN] ISOXAZOLINE DERIVATIVES AND THEIR USES IN AGRICULTURE<br/>[FR] DÉRIVÉS D'ISOXAZOLINE ET LEURS UTILISATIONS EN AGRICULTURE
  申请人：DONGGUAN HEC PESTICIDES R&D CO LTD

  公开号：WO2021008485A1

  公开（公告）日：2021-01-21

  Provided are isoxazoline derivatives and uses thereof in agriculture; in particular, provided a compound having formula (I), a stereoisomer, an N-oxide or a salt thereof, preparation methods thereof, and compositions containng these compounds and uses thereof in agriculture, particularly uses as active ingredients of herbicide for controlling unwanted plants; wherein R1, R2, R3, R4, n, R5, R6, Ra, Rb, Rc, Rd and Re are defined as described in the invention.

  提供了异噁唑啉衍生物及其在农业中的用途；具体而言，提供了具有化学式（I）的化合物，其立体异构体，N-氧化物或其盐，其制备方法，以及含有这些化合物的组合物和在农业中的用途，特别是作为除草剂的活性成分用于控制不受欢迎的植物；其中R1、R2、R3、R4、n、R5、R6、Ra、Rb、Rc、Rd和Re如本发明所述定义。
• Metal oxide particle and its uses
  申请人：Takeda Mitsuo

  公开号：US20070154561A1

  公开（公告）日：2007-07-05

  An object of the present invention is to provide a metal oxide particle which exercises more excellent ultraviolet absorbency as a matter of course and combines therewith merits of, for example, either being shifted in ultraviolet absorption edge toward the longer wavelength side and being excellent also in the absorption efficiency of a long-wavelength range of ultraviolet rays, or having good transparency and, for example, even in cases where added into or coated onto substrates, not damaging the transparency or hue of the substrates. As a means of achieving this object, a metal oxide particle according to the present invention is a metal oxide particle such that a hetero-element is contained in a particle comprising an oxide of a specific metal element (M), wherein the metal oxide particle is: 1) a metal oxide particle in the form of a fine particle wherein the hetero-element is at least one specific metal element (M′); 2) a metal oxide particle wherein the hetero-element includes at least two specific metal elements (M′); 3) a metal oxide particle wherein: the hetero-element is a more specified metal element (M′) and at least a part thereof is 2 in valence; or the metal element (M) is a more specified metal element and the metal oxide particle is in a specific range in crystal grain diameter in the vertical direction to each of the (002) plane and the (100) plane; or 4) a metal oxide particle wherein: the hetero-element is at least one specific nonmetal element and an acyl group is contained in the particle; or the hetero-element includes at least two specific nonmetal elements; or the hetero-element is at least one specific nonmetal element and a component derived from a metal element (M′) other than the metal element (M) is contained in the particle.

  本发明的目的是提供一种金属氧化物微粒，它自然具有更优异的紫外线吸收性能，并结合了例如向长波长侧移动紫外线吸收边缘且在紫外线长波长范围的吸收效率也极佳的优点，或者具有良好的透明性，例如，即使添加到或涂覆在基材上，也不会损害基材的透明性或色调。为实现这一目的，根据本发明的金属氧化物微粒是一种特定金属元素（M）的氧化物的微粒中包含异元素金属氧化物微粒，其中该金属氧化物微粒是：1）一种微粒形式的细小金属氧化物微粒，其中异元素至少是一种特定金属元素（M′）；2）一种金属氧化物微粒，其中异元素包括至少两种特定金属元素（M′）；3）一种金属氧化物微粒，其中：异元素是一种更特定的金属元素（M′）且至少其部分是二价的；或者金属元素（M）是一种更特定的金属元素，且金属氧化物微粒在垂直于（002）面和（100）面的晶体粒度直径在特定范围内；或者4）一种金属氧化物微粒，其中：异元素至少是一种特定非金属元素，且微粒中包含酰基；或者异元素包括至少两种特定非金属元素；或者异元素至少是一种特定非金属元素，且微粒中包含来自金属元素（M′）以外的金属元素的成分。
• [EN] HERBICIDAL DIHYDRO OXO SIX-MEMBERED AZINYL ISOXAZOLINES<br/>[FR] DIHYDRO OXO AZINYLE ISOXAZOLINES À SIX ÉLÉMENTS HERBICIDES
  申请人：DU PONT

  公开号：WO2009158258A1

  公开（公告）日：2009-12-30

  Disclosed are compounds of Formula (I), including all geometric and stereoisomers, N-oxides, and salts thereof, Formula (I) wherein J is Formula (II) and R1, R2, R3, R4, R5, R6, R7, R8a, R8b, R8c, R8d, Q1, Q2, Q3, Q4, W1, W2, W3, W4, Y1, Y2, Y3, Y4, m and n are as defined in the disclosure. Also disclosed are compositions containing the compounds of Formula (I) and methods for controlling undesired vegetation comprising contacting the undesired vegetation or its environment with an effective amount of a compound or a composition of the invention.

  公开了公式(I)的化合物，包括所有的几何异构体、立体异构体、N-氧化物和它们的盐，公式(I)中J是公式(II)，R1、R2、R3、R4、R5、R6、R7、R8a、R8b、R8c、R8d、Q1、Q2、Q3、Q4、W1、W2、W3、W4、Y1、Y2、Y3、Y4、m和n的定义如披露中所述。还公开了包含公式(I)化合物的组合物，以及控制不需要的植被的方法，该方法包括将不需要的植被或其环境与有效量的本发明的化合物或组合物接触。

表征谱图