2-甲氧基乙基苯基硫醚 | 77298-24-9

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 中文名称: 2-甲氧基乙基苯基硫醚
• 中文别名: 2-甲烷氧基乙基苯基硫醚
• 英文名称: 2-methoxyethyl phenyl sulfide
• 英文别名: (2-methoxyethyl)(phenyl)sulfane；2-methoxyethylsulfanylbenzene
• CAS: 77298-24-9
• 化学式: C₉H₁₂OS
• 分子量: 168.26
• InChiKey: ONVZBVAUSAELNQ-UHFFFAOYSA-N

物化性质

• 沸点：
  125-126°C 18mm
• 闪点：
  125-126°C/18mm
• 稳定性/保质期：
  远离氧化剂、热源、明火和火花。

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  11
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  34.5
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 安全说明：
  S24/25
• 海关编码：
  2930909090

SDS

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SECTION 1: Identification of the substance/mixture and of the company/undertaking
Product identifiers
Product name : (2-Methoxyethyl)(Phenyl)Sulfane
: TMT00668
REACH No. : A registration number is not available for this substance as the substance
or its uses are exempted from registration, the annual tonnage does not
require a registration or the registration is envisaged for a later
registration deadline.

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SECTION 2: Hazards identification
Classification of the substance or mixture
Not a hazardous substance or mixture according to Regulation (EC) No. 1272/2008.
This substance is not classified as dangerous according to Directive 67/548/EEC.
Label elements
The product does not need to be labelled in accordance with EC directives or respective national laws.
Other hazards
This substance/mixture contains no components considered to be either persistent, bioaccumulative and
toxic (PBT), or very persistent and very bioaccumulative (vPvB) at levels of 0.1% or higher.

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SECTION 3: Composition/information on ingredients
Substances
Molecular weight : 168,26 g/mol
No components need to be disclosed according to the applicable regulations.

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SECTION 4: First aid measures
Description of first aid measures
If inhaled
If breathed in, move person into fresh air. If not breathing, give artificial respiration.
In case of skin contact
Wash off with soap and plenty of water.
In case of eye contact
Flush eyes with water as a precaution.
If swallowed
Never give anything by mouth to an unconscious person. Rinse mouth with water.
Most important symptoms and effects, both acute and delayed
The most important known symptoms and effects are described in the labelling (see section 2.2) and/or in
section 11
Indication of any immediate medical attention and special treatment needed
No data available

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SECTION 5: Firefighting measures
Extinguishing media
Suitable extinguishing media
Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide.
Special hazards arising from the substance or mixture
Nature of decomposition products not known.
Advice for firefighters
Wear self-contained breathing apparatus for firefighting if necessary.
Further information
No data available

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SECTION 6: Accidental release measures
Personal precautions, protective equipment and emergency procedures
Avoid dust formation. Avoid breathing vapours, mist or gas.
For personal protection see section 8.
Environmental precautions
No special environmental precautions required.
Methods and materials for containment and cleaning up
Sweep up and shovel. Keep in suitable, closed containers for disposal.
Reference to other sections
For disposal see section 13.

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SECTION 7: Handling and storage
Precautions for safe handling
Provide appropriate exhaust ventilation at places where dust is formed.
For precautions see section 2.2.
Conditions for safe storage, including any incompatibilities
Store in cool place. Keep container tightly closed in a dry and well-ventilated place.
Storage class (TRGS 510): Non Combustible Solids
Specific end use(s)
Apart from the uses mentioned in section 1.2 no other specific uses are stipulated

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SECTION 8: Exposure controls/personal protection
Control parameters
Components with workplace control parameters
Exposure controls
Appropriate engineering controls
General industrial hygiene practice.
Personal protective equipment
Eye/face protection
Use equipment for eye protection tested and approved under appropriate government standards
such as NIOSH (US) or EN 166(EU).
Skin protection
Handle with gloves. Gloves must be inspected prior to use. Use proper glove removal technique
(without touching glove's outer surface) to avoid skin contact with this product. Dispose of
contaminated gloves after use in accordance with applicable laws and good laboratory practices.
Wash and dry hands.
The selected protective gloves have to satisfy the specifications of EU Directive 89/686/EEC and
the standard EN 374 derived from it.
Body Protection
Choose body protection in relation to its type, to the concentration and amount of dangerous
substances, and to the specific work-place., The type of protective equipment must be selected
according to the concentration and amount of the dangerous substance at the specific workplace.
Respiratory protection
Respiratory protection is not required. Where protection from nuisance levels of dusts are desired,
use type N95 (US) or type P1 (EN 143) dust masks. Use respirators and components tested and
approved under appropriate government standards such as NIOSH (US) or CEN (EU).
Control of environmental exposure
No special environmental precautions required.

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SECTION 9: Physical and chemical properties
Information on basic physical and chemical properties
a) Appearance Form: solid
b) Odour No data available
c) Odour Threshold No data available
d) pH No data available
e) Melting point/freezing No data available
point
f) Initial boiling point and No data available
boiling range
g) Flash point No data available
h) Evaporation rate No data available
i) Flammability (solid, gas) No data available
j) Upper/lower No data available
flammability or
explosive limits
k) Vapour pressure No data available
l) Vapour density No data available
m) Relative density No data available
n) Water solubility No data available
o) Partition coefficient: n- No data available
octanol/water
p) Auto-ignition No data available
temperature
q) Decomposition No data available
temperature
r) Viscosity No data available
s) Explosive properties No data available
t) Oxidizing properties No data available
Other safety information
No data available

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SECTION 10: Stability and reactivity
Reactivity
No data available
Chemical stability
Stable under recommended storage conditions.
Possibility of hazardous reactions
No data available
Conditions to avoid
No data available
Incompatible materials
Strong oxidizing agents
Hazardous decomposition products
In the event of fire: see section 5

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SECTION 11: Toxicological information
Information on toxicological effects
Acute toxicity
No data available
Skin corrosion/irritation
No data available
Serious eye damage/eye irritation
No data available
Respiratory or skin sensitisation
No data available
Germ cell mutagenicity
No data available
Carcinogenicity
IARC: No component of this product present at levels greater than or equal to 0.1% is identified as
probable, possible or confirmed human carcinogen by IARC.
Reproductive toxicity
No data available
Specific target organ toxicity - single exposure
No data available
Specific target organ toxicity - repeated exposure
No data available
Aspiration hazard
No data available
Additional Information
RTECS: Not available
To the best of our knowledge, the chemical, physical, and toxicological properties have not been
thoroughly investigated.

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SECTION 12: Ecological information
Toxicity
No data available
Persistence and degradability
No data available
Bioaccumulative potential
No data available
Mobility in soil
No data available
Results of PBT and vPvB assessment
This substance/mixture contains no components considered to be either persistent, bioaccumulative and
toxic (PBT), or very persistent and very bioaccumulative (vPvB) at levels of 0.1% or higher.
Other adverse effects
No data available

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SECTION 13: Disposal considerations
Waste treatment methods
Product
Offer surplus and non-recyclable solutions to a licensed disposal company.
Contaminated packaging
Dispose of as unused product.

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SECTION 14: Transport information
UN number
ADR/RID: - IMDG: - IATA: -
UN proper shipping name
ADR/RID: Not dangerous goods
IMDG: Not dangerous goods
IATA: Not dangerous goods
Transport hazard class(es)
ADR/RID: - IMDG: - IATA: -
Packaging group
ADR/RID: - IMDG: - IATA: -
Environmental hazards
ADR/RID: no IMDG Marine pollutant: no IATA: no
Special precautions for user
No data available

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SECTION 15: Regulatory information
This safety datasheet complies with the requirements of Regulation (EC) No. 1907/2006.
Safety, health and environmental regulations/legislation specific for the substance or mixture
No data available
Chemical Safety Assessment

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  2-甲氧基乙基苯基硫醚 在 六氟异丙醇 、 水 、 lithium perchlorate 、 溶剂黄146 作用下， 反应 6.0h， 以75%的产率得到β-Methoxyaethylphenylsulfoxid
  参考文献：
  名称：

  硫醚的电化学氧化：使用氢键网络调节氧化电位

  摘要：

  开发了一种高效的硫醚化学选择性电化学氧化为亚砜和砜的方法。由六氟-2-丙醇（HFIP）和乙酸（AcOH）生成的氢键网络在氧化电位的调节中起重要作用。氢键网络与亚砜牢固地络合，使其不易进一步氧化。因此，硫醚可以被选择性地电化学氧化成亚砜，并且过氧化可以被最小化。此外，密度泛函理论（DFT）计算和循环伏安法实验支持了这种通过氢键进行的氧化调节。

  DOI：

  10.1016/j.elecom.2019.106583
• 作为产物：
  描述：

  茴香硫醚 在 正丁基锂 、 四甲基乙二胺 、 sodium hydride 作用下， 生成 2-甲氧基乙基苯基硫醚
  参考文献：
  名称：

  一种制备 1-(甲基硫) 和 1-(苯基硫) 乙烯基锂试剂的简便方法

  摘要：

  在 N,N,N',N'-四甲基乙二胺 (TMEDA) 存在下，通过用两倍摩尔量的丁基锂处理相应的 2-甲氧基乙基硫化物来制备 1-（甲硫基）和 1-（苯硫基）乙烯基锂。β-烷硫基-β,γ-不饱和醇通过锂盐与醛的反应以良好的收率获得。

  DOI：

  10.1246/cl.1982.593

文献信息

• Origin of<i>π</i>-Facial Diastereoselection in Hydride Reduction of Piperidones. The Importance of Ground-State Effects
  作者：Shuji Tomoda、Takatoshi Senju

  DOI：10.1246/cl.1999.625

  日期：1999.7

  The exterior frontier orbital extension model (the EFOE Model) strongly suggested that the ground-state conformation (steric effects) and the anisotropic frontier orbital (LUMO) extension over π-faces may be the origin of the π-facial diastereoselection in hydride reductions of substituted piperidones.

  外部前沿轨道扩展模型（EFOE 模型）强烈表明基态构象（空间效应）和各向异性前沿轨道（LUMO）在 π 面上的扩展可能是氢化物还原中 π 面非对映选择的起源取代哌啶酮。
• Method for synthesizing furanosteroids
  申请人：Jacobi Peter A.

  公开号：US20090143346A1

  公开（公告）日：2009-06-04

  The present invention is a method for synthesizing furanosteroids. The method involves intramolecular Diels-Alder/retro-Diels-Alder reaction and tautomerization of a functionalized alkyne oxazole to produce a furo[2,3-b]phenol derivative which is elaborated by intermolecular and intramolecular condensations to generate ring-A of the furanosteroid. Furanosteroids and pharmaceutical compositions containing the same are also provided.

  本发明涉及一种合成呋喃甾体的方法。该方法涉及分子内Diels-Alder/retro-Diels-Alder反应和一个官能化炔基噁唑的异构化，以产生一种furo[2,3-b]苯酚衍生物，通过分子间和分子内缩合反应来生成呋喃甾体的A环。同时还提供了呋喃甾体和含有其的药物组合物。
• Asymmetric Oxidation Catalysis by a Porphyrin-Inspired Manganese Complex: Highly Enantioselective Sulfoxidation with a Wide Substrate Scope
  作者：Wen Dai、Jun Li、Bo Chen、Guosong Li、Ying Lv、Lianyue Wang、Shuang Gao

  DOI：10.1021/ol402612x

  日期：2013.11.15

  The first genuinely promising porphyrin-inspired manganese-catalyzed asymmetric sulfoxidation method using hydrogen peroxide has been successfully developed, allowing for rapidly oxidizing (0.5–1.0 h) a wide variety of sulfides in high yields with excellent enantioselectivities (up to >99% ee).

  成功开发出了首个真正有前景的，受卟啉启发的锰催化的不对称硫氧化方法，该方法使用过氧化氢，可快速氧化（0.5–1.0 h），高产率地以优异的对映选择性（高达> 99％ee）对多种硫化物进行氧化。 。
• [EN] PROCESS FOR PREPARING AROMATIC THIOPHENYL KETONES<br/>[FR] PROCEDE DESTINE A LA PREPARATION DE THIOPHENYLCETONES AROMATIQUES
  申请人：CIBA SC HOLDING AG

  公开号：WO2006034966A1

  公开（公告）日：2006-04-06

  The invention provides a process for synthesizing aromatic thioether ketones comprising reacting an aromatic thioether with an acylating agent in the presence of heteropoly acids or heteropoly acid-containing solid supports or the salts of heteropoly acids.

  该发明提供了一种合成芳香硫醚酮的方法，包括在杂多酸或含杂多酸的固体支撑物或杂多酸盐的存在下，将芳香硫醚与酰化剂反应。
• FUNGICIDAL OXADIAZOLES
  申请人：FMC Corporation

  公开号：US20200345010A1

  公开（公告）日：2020-11-05

  Disclosed are compounds of Formula 1, including all geometric and stereoisomers, tautomers, N-oxides, and salts thereof, wherein R 1 , R 2 , A, L and J 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.

  本文揭示了Formula 1的化合物，包括所有的几何和立体异构体、互变异构体、N-氧化物和盐，其中R1、R2、A、L和J的定义如本文所述。还揭示了含有Formula 1化合物的组合物，以及通过施用本发明的化合物或组合物的有效量来控制由真菌病原体引起的植物疾病的方法。