(S)-(-)-甲基对甲苯亚砜 | 5056-07-5

• 物质功能分类: 化学试剂 - 有机试剂 - 砜、亚砜类化合物
• 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: (S)-(-)-甲基对甲苯亚砜
• 中文别名: (S)-(-)-甲基对甲苯砜
• 英文名称: (S)-methyl p-tolyl sulfoxide
• 英文别名: 1-methyl-4-(methylsulfinyl)benzene；methyl p-tolyl sulfoxide；1-methyl-4-[(S)-methylsulfinyl]benzene
• CAS: 5056-07-5
• 化学式: C₈H₁₀OS
• 分子量: 154.233
• InChiKey: FEVALTJSQBFLEU-JTQLQIEISA-N

物化性质

• 熔点：
  75-77 °C(lit.)
• 沸点：
  282.4±19.0 °C(Predicted)
• 密度：
  1.15±0.1 g/cm3(Predicted)
• 稳定性/保质期：

  如果按照规定使用和储存，则不会分解，也未曾发生任何已知的危险。

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  10
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  36.3
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• WGK Germany：
  3
• 海关编码：
  2930909090
• 储存条件：
  请将药品存放在密闭、阴凉干燥的地方保存。

SDS

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Section 1. IDENTIFICATION OF THE SUBSTANCE/MIXTURE
Product identifiers
: (S)-(−)-Methyl p-tolyl sulfoxide
Product name
CAS-No. : 5056-07-5
Relevant identified uses of the substance or mixture and uses advised against
Identified uses : Laboratory chemicals, Manufacture of substances

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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
Caution - substance not yet tested completely.
Other hazards - none

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Section 3. COMPOSITION/INFORMATION ON INGREDIENTS
Substances
Formula : C8H10OS
Molecular Weight : 154,23 g/mol

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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
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
Carbon oxides, Sulphur oxides
Advice for firefighters
Wear self contained breathing apparatus for fire fighting 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 vapors, mist or gas.
Environmental precautions
Do not let product enter drains.
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.Normal measures for preventive fire
protection.
Conditions for safe storage, including any incompatibilities
Store in cool place. Keep container tightly closed in a dry and well-ventilated place.
Specific end uses
no data available

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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).

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Section 9. PHYSICAL AND CHEMICAL PROPERTIES
Information on basic physical and chemical properties
a) Appearance Form: crystalline
Colour: white
b) Odour no data available
c) Odour Threshold no data available
d) pH no data available
e) Melting point/freezing Melting point/range: 75 - 77 °C
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) Autoignition 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
no data available
Possibility of hazardous reactions
no data available
Conditions to avoid
no data available
Incompatible materials
Strong oxidizing agents
Hazardous decomposition products
Other decomposition products - no data available

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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 sensitization
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
Potential health effects
Inhalation
May be harmful if inhaled. May cause respiratory tract irritation.
Ingestion May be harmful if swallowed.
Skin May be harmful if absorbed through skin. May cause skin irritation.
Eyes May cause eye irritation.
Additional Information
RTECS: Not available

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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
no data available
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
N/A

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  (S)-(-)-甲基对甲苯亚砜 在 咪唑 、 正丁基锂 、 碘苯二乙酸 、 氨基甲酸铵 、 二异丙胺 作用下， 以 四氢呋喃 、 甲醇 、 正己烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 92.17h， 生成 (S,E)-((tert-butyldiphenylsilyl)imino)(4-ethynylstyryl)(p-tolyl)-λ⁶-sulfanone
  参考文献：
  名称：

  乙烯基亚砜亚胺和磺酰亚胺酰胺的合成和构型分配

  摘要：

  乙烯基砜和磺胺类药物因其在共价蛋白抑制剂中用作亲电弹头而受到重视。相反，其 S(VI) 氮杂等排体，乙烯基亚砜亚胺和磺酰亚胺酰胺，研究较少，尚未应用于蛋白质生物偶联领域。在此，我们报告了一系列不同的合成方法，用于构建乙烯基亚砜和乙烯基磺酰亚胺结构，从而可以进入亲电化学空间的新领域。我们展示了如何将后期功能化应用于这些基序以结合炔标签，为未来的化学生物学应用生成完全功能化的探针。最后，

  DOI：

  10.1021/acs.joc.1c00373
• 作为产物：
  描述：

  4-甲基茴香硫醚 在 过氧化氢异丙苯 、 titanium BINOL derivative 作用下， 以 四氯化碳 为溶剂， 反应 72.0h， 以41.5%的产率得到(S)-(-)-甲基对甲苯亚砜
  参考文献：
  名称：

  用于对映选择性羰基烯和磺化氧化反应的自支撑多相钛催化剂。

  摘要：

  通过在不使用支持物的情况下通过桥联的多主题BINOL配体与[Ti（OiPr）4]的原位组装，开发了一种手性钛配合物异质化的新策略。组装的多相催化剂（自负载）在α-甲基苯乙烯与乙醛酸乙酯（最高98％ee）的羰基-烯反应和硫化物的氧化（最高> 99％ee）中均表现出优异的对映选择性。这些非均相催化体系的催化性能与同类均相催化剂相当或什至更高。在组装的催化剂中，配体的两个BINOL单元之间的间隔基对羰基-烯反应的对映选择性具有重要影响。这证明了组件的超分子结构对其催化行为的重要性。在亚砜氧化的催化中，自担载的多相钛催化剂非常稳定，可以方便地回收和再利用一个月（至少八个循环），而活性和对映选择性没有明显损失（最高ee> 99.9％）。这些自担载催化剂的特征，例如制备简便，固态催化剂的稳固手性结构，固体中催化活性单元的高密度以及易于回收和简单循环利用，对于开发用于制备方法的方法尤为重要。工业过程中光

  DOI：

  10.1002/chem.200500239
• 作为试剂：
  描述：

  苯丙醛 、 丙烯基三氯硅烷 在 (S)-(-)-甲基对甲苯亚砜 、 四丁基碘化铵 、 N,N-二异丙基乙胺 作用下，