2-(1,1-二甲基丙基)苯酚 | 3279-27-4

• 物质功能分类: 生物 - 细胞培养 - 添加剂
• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 2-(1,1-二甲基丙基)苯酚
• 中文别名: 2-叔戊基苯酚；2-特戊基苯酚
• 英文名称: tert-amylphenol
• 英文别名: 2-(tert-pentyl)phenol；o-<1,1-Dimethyl-propyl>-phenol；2-(1,1-dimethylpropyl)-phenol；2-tert-Amylphenol；2-(2-methylbutan-2-yl)phenol
• CAS: 3279-27-4
• 化学式: C₁₁H₁₆O
• mdl: MFCD00191239
• 分子量: 164.247
• InChiKey: BGRKGHSKCFAPCL-UHFFFAOYSA-N

物化性质

• 熔点：
  280 °C
• 沸点：
  92 °C / 4mmHg
• 密度：
  0.98
• LogP：
  4 at 22℃
• 物理描述：
  Liquid
• 稳定性/保质期：
  在常温常压下，该物质是稳定的。

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.454
• 拓扑面积：
  20.2
• 氢给体数：
  1
• 氢受体数：
  1

安全信息

• 危险等级：
  8
• 海关编码：
  2907199090
• 储存条件：
  常温、避光、存于通风干燥处。

SDS

2-tert-Amylphenol
SAFETY DATA SHEET

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Section 1. IDENTIFICATION
Product name: 2-tert-Amylphenol

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Section 2. HAZARDS IDENTIFICATION
GHS classification
PHYSICAL HAZARDS Not classified
HEALTH HAZARDS
Skin corrosion/irritation Category 1C
Category 1
Serious eye damage/eye irritation
ENVIRONMENTAL HAZARDS Not classified
GHS label elements, including precautionary statements
Pictograms or hazard symbols
Signal word Danger
Hazard statements Causes severe skin burns and eye damage
Precautionary statements:
[Prevention] Do not breathe dust/fume/gas/mist/vapours/spray.
Wash hands thoroughly after handling.
Wear protective gloves/eye protection/face protection.
IF INHALED: Remove victim to fresh air and keep at rest in a position comfortable for
[Response]
breathing.
IF SWALLOWED: Rinse mouth. Do NOT induce vomiting.
IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses,
if present and easy to do. Continue rinsing.
IF ON SKIN (or hair): Remove/Take off immediately all contaminated clothing. Rinse
skin with water/shower.
Wash contaminated clothing before reuse.
Immediately call a POISON CENTER or doctor/physician.
[Storage] Store locked up.
[Disposal] Dispose of contents/container through a waste management company authorized by
the local government.

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Section 3. COMPOSITION/INFORMATION ON INGREDIENTS
Substance/mixture: Substance
Components: 2-tert-Amylphenol
Percent: >98.0%(GC)
3279-27-4
CAS Number:
Synonyms: 2-(1,1-Dimethylpropyl)phenol , 2-tert-Pentylphenol
2-tert-Amylphenol

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Section 3. COMPOSITION/INFORMATION ON INGREDIENTS
Chemical Formula: C11H16O

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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.
Immediately call a POISON CENTER or doctor/physician.
Skin contact: Remove/Take off immediately all contaminated clothing. Gently wash with plenty of
soap and water. Immediately call a POISON CENTER or doctor/physician.
Eye contact: Rinse cautiously with water for several minutes. Remove contact lenses, if present
and easy to do. Continue rinsing.Immediately call a POISON CENTER or
doctor/physician.
Immediately call a POISON CENTER or doctor/physician. Rinse mouth. Do NOT
Ingestion:
induce vomiting.
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, carbon dioxide.
media:
Unsuitable extinguishing Water (It may scatter and spread fire.)
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
Use extra personal protective equipment (self-contained breathing apparatus). Keep
Personal precautions,
protective equipment and people away from and upwind of spill/leak. Ensure adequate ventilation. Entry to non-
emergency procedures: involved personnel should be controlled around the leakage area by roping off, etc.
Environmental precautions: Prevent product from entering drains.
Methods and materials for Absorb spilled material in a suitable absorbent (e.g. rag, dry sand, earth, saw-dust).
containment and cleaning In case of large amount of spillage, contain a spill by bunding. Adhered or collected
up: material should be promptly disposed of, in accordance with 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 generation of vapour or mist. Wash hands and face thoroughly after
handling.
Use a closed system if possible. Use a ventilation, local exhaust if vapour 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 under inert gas.
Store locked up.
Store away from incompatible materials such as oxidizing agents.
Air-sensitive
Packaging material: Comply with laws.

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Section 8. EXPOSURE CONTROLS / PERSONAL PROTECTION
Install a closed system or local exhaust. Also install safety shower and eye bath.
Engineering controls:
2-tert-Amylphenol

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Section 8. EXPOSURE CONTROLS / PERSONAL PROTECTION
Personal protective equipment
Respiratory protection: Half or full facepiece respirator, self-contained breathing apparatus(SCBA), supplied
air respirator, etc. Use respirators approved under appropriate government standards
and follow local and national regulations.
Hand protection: Impervious gloves.
Safety goggles. A face-shield, if the situation requires.
Eye protection:
Skin and body protection: Impervious protective clothing. Protective boots, if the situation requires.

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Section 9. PHYSICAL AND CHEMICAL PROPERTIES
Physical state (20°C): Liquid
Clear
Form:
Colour: Colorless - Slightly pale yellow
No data available
Odour:
pH: No data available
Melting point/freezing point:No data available
Boiling point/range: 92°C/0.5kPa
Flash point: No data available
Flammability or explosive
limits:
Lower: No data available
Upper: No data available
Relative density: 0.98
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
2-tert-Amylphenol

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Section 12. ECOLOGICAL INFORMATION
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 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: 8: Corrosive.
3145
UN-No:
Proper shipping name: Alkylphenols, liquid, n.o.s.
Packing group: III

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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：

  2-(1,1-二甲基丙基)苯酚 以 neat (no solvent) 为溶剂， 生成 对叔戊基苯酚
  参考文献：
  名称：

  Nesterova; Verevkin; Malova, Journal of applied chemistry of the USSR, 1985, vol. 58, # 4 pt 1, p. 748 - 754

  摘要：

  DOI：
• 作为产物：
  描述：

  对叔戊基苯酚 以 neat (no solvent) 为溶剂， 生成 2-(1,1-二甲基丙基)苯酚
  参考文献：
  名称：

  Nesterova; Verevkin; Malova, Journal of applied chemistry of the USSR, 1985, vol. 58, # 4 pt 1, p. 748 - 754

  摘要：

  DOI：
• 作为试剂：
  描述：

  4,4'-二氨基二环己基甲烷 以 2-(1,1-二甲基丙基)苯酚 为溶剂， 反应 26280.0h， 生成 [4-(2-phenylpropan-2-yl)phenyl] N-[4-[[4-[[4-(2-phenylpropan-2-yl)phenoxy]carbonylamino]cyclohexyl]methyl]cyclohexyl]carbamate
  参考文献：
  名称：

  PROCESS FOR THE PREPARATION OF N-SUBSTITUTED CARBAMIC ACID ESTER AND PROCESS FOR THE PREPARATION OF ISOCYANATE USING THE N-SUBSTITUTED CARBAMIC ACID ESTER

  摘要：

  公开号：

  EP2322504B9

文献信息

• USE OF NITROGEN COMPOUNDS QUATERNISED WITH ALKYLENE OXIDE AND HYDROCARBYL-SUBSTITUTED POLYCARBOXYLIC ACID AS ADDITIVES IN FUELS AND LUBRICANTS
  申请人：BASF SE

  公开号：US20160130514A1

  公开（公告）日：2016-05-12

  The invention relates to the use of quaternized nitrogen compounds as a fuel and lubricant additive or kerosene additive, such as in particular as a detergent additive, for decreasing or preventing deposits in the injection systems of direct-injection diesel engines, in particular in common rail injection systems, for decreasing the fuel consumption of direct-injection diesel engines, in particular of diesel engines having common rail injection systems, and for minimizing the power loss in direct-injection diesel engines, in particular in diesel engines having common rail injection systems; the invention further relates to the use as an additive for petrol, in particular for operation of DISI engines.

  该发明涉及将季铵化氮化合物用作燃料和润滑剂添加剂或煤油添加剂，特别是作为清洁剂添加剂，用于减少或预防直喷柴油发动机的喷射系统中的沉积物，在特定是在共轨喷射系统中，用于降低直喷柴油发动机的燃料消耗，特别是具有共轨喷射系统的柴油发动机，并用于减少直喷柴油发动机的功率损失，特别是在具有共轨喷射系统的柴油发动机中；该发明还涉及将其用作汽油添加剂，特别是用于DISI发动机的运行。
• Selective Transformation of Strychnine and 1,2-Disubstituted Benzenes by C–H Borylation
  作者：Yutaro Saito、Kotono Yamanoue、Yasutomo Segawa、Kenichiro Itami

  DOI：10.1016/j.chempr.2020.02.004

  日期：2020.4

  as natural products, pharmaceuticals, and π-conjugated systems are at the heart of constructing and modifying organic molecules, whereby the selectivity and predictability are of the utmost importance. Herein, we report the highly C3-selective C–H borylation of strychnine along with olefin isomerization, catalyzed by an iridium complex with a diphosphine ligand. This method enabled us to rapidly produce

  复杂分子（例如天然产物，药物和π共轭体系）的C–H功能化是构建和修饰有机分子的核心，因此，选择性和可预测性至关重要。在本文中，我们报道了由铱与二膦配体的配合物催化的士的宁的高度C3选择性C–H硼氢化以及烯烃异构化。这种方法使我们能够通过使用相应的C3硼化和异构化的类似物作为常见的合成中间体，快速生产15种士的宁衍生物。目前的催化剂体系通常对不对称1,2-二取代苯衍生物的C–H官能化也有效，包括稠合的π-体系（黄嘌呤，芴，萘和蒽）和药物（硝苯地平），
• Catalytic Gas Phase Fluorination of 1233xf to 1234yf
  申请人：Deur-Bert Dominique

  公开号：US20110160497A1

  公开（公告）日：2011-06-30

  The present invention provides a process for preparing 1234yf, comprising: (i) contacting 1233xf with hydrogen fluoride HF in gas phase in the presence of a fluorination catalyst under conditions sufficient to produce a reaction mixture; (ii) separating the reaction mixture into a first stream comprising HCl, 1234yf and a second stream comprising HF, unreacted 1233xf and 245cb; (iii) recycling at least a part of the second stream at least in part back to step (i). The present invention also provides a process for preparing 1234yf, comprising: (i) contacting 1233xf with hydrogen fluoride HF in gas phase in the presence of a fluorination catalyst under conditions sufficient to produce a reaction mixture; (ii) separating the reaction mixture into HCl and a stream containing the fluorinated products; (iii) separating said stream containing the fluorinated products into a first stream comprising 1234yf and a second stream comprising HF, unreacted 1233xf and 245cb; (iv) recycling at least a part of the second stream at least in part back to step (i).

  本发明提供了一种制备1234yf的方法，包括： (i) 在氟化催化剂存在下，在足以产生反应混合物的条件下，将1233xf与气相中的氢氟酸HF接触; (ii) 将反应混合物分离成包含HCl、1234yf的第一流和包含HF、未反应的1233xf和245cb的第二流; (iii) 至少部分地将第二流至少部分地回收到步骤(i)中。 本发明还提供了一种制备1234yf的方法，包括： (i) 在氟化催化剂存在下，在足以产生反应混合物的条件下，将1233xf与气相中的氢氟酸HF接触; (ii) 将反应混合物分离成HCl和含有氟化产物的流; (iii) 将含有氟化产物的流分离成包含1234yf的第一流和包含HF、未反应的1233xf和245cb的第二流; (iv) 至少部分地将第二流至少部分地回收到步骤(i)中。
• PROCESS FOR THE PREPARATION OF 2,3,3,3 TETRAFLUOROPROPENE
  申请人：Wendlinger Laurent

  公开号：US20130267740A1

  公开（公告）日：2013-10-10

  The present invention provides a process for preparing 2,3,3,3-tetrafluoropropene, comprising the following steps: (a) catalytic reaction of 1,1,1,2,3-pentachloropropane and/or 1,1,2,2,3-pentachloropropane with HF into product 2-chloro-3,3,3-trifluoropropene; (b) catalytic reaction of the thus-obtained 2-chloro-3,3,3-trifluoropropene into 2,3,3,3-tetrafluoropropene.

  本发明提供了一种制备2,3,3,3-四氟丙烯的方法，包括以下步骤：(a)将1,1,1,2,3-五氯丙烷和/或1,1,2,2,3-五氯丙烷与氢氟酸催化反应，生成产物2-氯-3,3,3-三氟丙烯；(b)将所得的2-氯-3,3,3-三氟丙烯进行催化反应，得到2,3,3,3-四氟丙烯。
• [EN] PROCESS FOR THE MANUFACTURE OF 2-CHLORO-1,1,1,2-TETRAFLUOROPROPANE BY LIQUID PHASE FLUORINATION OF 2-CHLORO-3,3,3-TRIFLUOROPROPANE<br/>[FR] PROCÉDÉ DE FABRICATION DE 2-CHLORO-1,1,1,2-TÉTRAFLUOROPROPANE PAR FLUORATION EN PHASE LIQUIDE DE 2-CHLORO-3,3,3-TRIFLUOROPROPANE
  申请人：ARKEMA FRANCE

  公开号：WO2012056263A1

  公开（公告）日：2012-05-03

  Process of catalytic fluorination in liquid phase of product 2-chloro-3, 3, 3-trifluoropropene into product 2- chloro-1, 1, 1, 2-tetrafluoropropane, with an ionic liquid based catalyst. Process for manufacturing 2, 3, 3, 3-tetrafluoropropene.

  将产品2-氯-3,3,3-三氟丙烯在液相中进行催化氟化反应，生成产品2-氯-1,1,1,2-四氟丙烷，使用基于离子液体的催化剂。制造2,3,3,3-四氟丙烯的工艺。