4,5-二甲基-3H-1,3-噁唑-2-硫酮 | 6670-14-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 中文名称: 4,5-二甲基-3H-1,3-噁唑-2-硫酮
• 英文名称: 4,5-dimethyloxazole-2-thiol
• 英文别名: 4,5-dimethyl-2-mercapto-1,3-oxazole；4,5-dimethyl-2-oxazolethiol；2-mercapto-4,5-dimethyloxazole；4,5-dimethyl-3H-oxazole-2-thione；4,5-Dimethyl-1,3-oxazole-2-thiol；4,5-dimethyl-3H-1,3-oxazole-2-thione
• CAS: 6670-14-0
• 化学式: C₅H₇NOS
• mdl: MFCD09040432
• 分子量: 129.183
• InChiKey: XEJIHKUDPINBCS-UHFFFAOYSA-N

物化性质

• 熔点：
  137 °C
• 沸点：
  156.5±23.0 °C(Predicted)
• 密度：
  1.23±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  8
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  53.4
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 海关编码：
  2934999090

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 4,5-Dimethyl-1,3-oxazole-2-thiol
Synonyms:

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Section 2. Hazards identification
Harmful by inhalation, in contact with skin, and if swallowed.

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Section 3. Composition/information on ingredients.
Ingredient name: 4,5-Dimethyl-1,3-oxazole-2-thiol
CAS number: 6670-14-0

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Section 4. First aid measures
Skin contact: Immediately wash skin with copious amounts of water for at least 15 minutes while removing
contaminated clothing and shoes. If irritation persists, seek medical attention.
Eye contact: Immediately wash skin with copious amounts of water for at least 15 minutes. Assure adequate
flushing of the eyes by separating the eyelids with fingers. If irritation persists, seek medical
attention.
Inhalation: Remove to fresh air. In severe cases or if symptoms persist, seek medical attention.
Ingestion: Wash out mouth with copious amounts of water for at least 15 minutes. Seek medical attention.

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Section 5. Fire fighting measures
In the event of a fire involving this material, alone or in combination with other materials, use dry
powder or carbon dioxide extinguishers. Protective clothing and self-contained breathing apparatus
should be worn.

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Section 6. Accidental release measures
Personal precautions: Wear suitable personal protective equipment which performs satisfactorily and meets local/state/national
standards.
Respiratory precaution: Wear approved mask/respirator
Hand precaution: Wear suitable gloves/gauntlets
Skin protection: Wear suitable protective clothing
Eye protection: Wear suitable eye protection
Methods for cleaning up: Mix with sand or similar inert absorbent material, sweep up and keep in a tightly closed container
for disposal. See section 12.
Environmental precautions: Do not allow material to enter drains or water courses.

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Section 7. Handling and storage
Handling: This product should be handled only by, or under the close supervision of, those properly qualified
in the handling and use of potentially hazardous chemicals, who should take into account the fire,
health and chemical hazard data given on this sheet.
Store in closed vessels.
Storage:

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Section 8. Exposure Controls / Personal protection
Engineering Controls: Use only in a chemical fume hood.
Personal protective equipment: Wear laboratory clothing, chemical-resistant gloves and safety goggles.
General hydiene measures: Wash thoroughly after handling. Wash contaminated clothing before reuse.

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Section 9. Physical and chemical properties
Appearance: Not specified
Boiling point: No data
No data
Melting point:
Flash point: No data
Density: No data
Molecular formula: C5H7NOS
Molecular weight: 129.2

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Section 10. Stability and reactivity
Conditions to avoid: Heat, flames and sparks.
Materials to avoid: Oxidizing agents.
Possible hazardous combustion products: Carbon monoxide, nitrogen oxides, sulfur oxides.

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Section 11. Toxicological information
No data.

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Section 12. Ecological information
No data.

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Section 13. Disposal consideration
Arrange disposal as special waste, by licensed disposal company, in consultation with local waste
disposal authority, in accordance with national and regional regulations.

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Section 14. Transportation information
Non-harzardous for air and ground transportation.

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Section 15. Regulatory information
No chemicals in this material are subject to the reporting requirements of SARA Title III, Section
302, or have known CAS numbers that exceed the threshold reporting levels established by SARA
Title III, Section 313.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  4,5-二甲基-3H-1,3-噁唑-2-硫酮 以 乙醚 为溶剂， 生成 3,4,5-Trimethyl-oxazolin-2-thion
  参考文献：
  名称：

  Kjellin,G.; Sandstroem,J., Acta Chemica Scandinavica (1947), 1969, vol. 23, # 8, p. 2879 - 2887

  摘要：

  DOI：
• 作为产物：
  描述：

  4,5-Dimethyl-3H-oxazolon-(2) 在 三氯氧磷 作用下， 反应 1.0h， 生成 4,5-二甲基-3H-1,3-噁唑-2-硫酮
  参考文献：
  名称：

  Kjellin,G.; Sandstroem,J., Acta Chemica Scandinavica (1947), 1969, vol. 23, # 8, p. 2879 - 2887

  摘要：

  DOI：

文献信息

• [EN] HETEROARYLTHIOMETHYL PYRIDINE DERIVATIVE<br/>[FR] DÉRIVÉ D'HÉTÉROARYLTHIOMÉTHYL PYRIDINE
  申请人：BANYU PHARMA CO LTD

  公开号：WO2010126163A1

  公开（公告）日：2010-11-04

  The present invention relates to a compound represented by a formula (I): wherein X is a group represented by or the like; Y is a group represented by or the like; and Ar1 is a group represented by or a pharmaceutically acceptable salt thereof.

  本发明涉及一种由以下公式（I）表示的化合物：其中X是由表示的基团或类似的基团；Y是由表示的基团或类似的基团；Ar1是由表示的基团或其药用可接受盐。
• Odorant or flavoring thiazolyl disulphides
  申请人：Givaudan Corporation

  公开号：US04130562A1

  公开（公告）日：1978-12-19

  Novel odorant and/or flavoring substances such as 2-phenylethyl-ethyl-disulphide, process for preparing such disulphides and odorant and flavoring products containing the sulphides are disclosed.

  揭示了类似2-苯乙基-乙基-二硫化物等新型气味和/或调味物质，以及制备这些二硫化物的方法和含有硫化物的气味和调味产品。
• Oxazolyl-alkyl-disulphides as flavorants
  申请人：Givaudan Corporation

  公开号：US04170594A1

  公开（公告）日：1979-10-09

  This relates to oxazolyl alkyl disulphides.

  这与噁唑基烷基二硫化物有关。
• Odorant and/or flavoring disulphides, compositions containing same and
  申请人：Givaudan Corporation

  公开号：US04188488A1

  公开（公告）日：1980-02-12

  Novel odorant and/or flavoring substances such as 2-phenylethyl-ethyl-disulphide, process for preparing such disulphides and odorant and flavoring products containing the sulphides are disclosed.

  本发明涉及新的气味和/或调味物质，例如2-苯乙基-乙基-二硫化物，揭示了制备这种二硫化物的过程以及含有硫化物的气味和调味产品。
• Process for making asymmetrical disulfides
  申请人：Givaudan Corporation

  公开号：US04237290A1

  公开（公告）日：1980-12-02

  Novel odorant and/or flavoring substances such as 2-phenylethyl-ethyl-disulphide, process for preparing such disulphides and odorant and flavoring products containing the sulphides are disclosed.

  本发明揭示了新的气味和/或调味物质，如2-苯乙基-乙基-二硫化物，制备这种二硫化物的方法以及含有这些硫化物的气味和调味产品。