2-羟基-3-丁炔酸乙酯 | 18418-08-1

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 中文名称: 2-羟基-3-丁炔酸乙酯
• 英文名称: ethyl 2-hydroxybut-3-ynoate
• CAS: 18418-08-1
• 化学式: C₆H₈O₃
• 分子量: 128.128
• InChiKey: GDWLVFKOPXSIAE-UHFFFAOYSA-N

物化性质

• 沸点：
  78 °C / 11mmHg
• 密度：
  1.10

计算性质

• 辛醇/水分配系数(LogP)：
  0.1
• 重原子数：
  9
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  46.5
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 海关编码：
  2918199090

SDS

Ethyl 2-Hydroxy-3-butynoate Revision number: 5
SAFETY DATA SHEET

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Section 1. IDENTIFICATION
Product name: Ethyl 2-Hydroxy-3-butynoate

Revision number: 5

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Section 2. HAZARDS IDENTIFICATION
GHS classification
PHYSICAL HAZARDS
Category 4
Flammable liquids
HEALTH HAZARDS
Category 4
Acute toxicity (Oral)
Acute toxicity (Dermal) Category 4
Category 4
Acute toxicity (Inhalation)
Skin corrosion/irritation Category 2
Category 2A
Serious eye damage/eye irritation
ENVIRONMENTAL HAZARDS Not classified
GHS label elements, including precautionary statements
Pictograms or hazard symbols
Warning
Signal word
Hazard statements Combustible liquid
Harmful if swallowed, in contact with skin or if inhaled
Causes skin irritation
Causes serious eye irritation
Precautionary statements:
Keep away from flames and hot surfaces.
[Prevention]
Avoid breathing dust/fume/gas/mist/vapours/spray.
Use only outdoors or in a well-ventilated area.
Do not eat, drink or smoke when using this product.
Wash hands thoroughly after handling.
Wear protective gloves and eye/face protection.
Ethyl 2-Hydroxy-3-butynoate

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Section 2. HAZARDS IDENTIFICATION
[Response] IF INHALED: Remove victim to fresh air and keep at rest in a position comfortable for
breathing. Call a POISON CENTER or doctor/physician if you feel unwell.
IF SWALLOWED: Call a POISON CENTER or doctor/physician if you feel unwell.
Rinse mouth.
IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses,
if present and easy to do. Continue rinsing.
If eye irritation persists: Get medical advice/attention.
IF ON SKIN: Gently wash with plenty of soap and water.
If skin irritation occurs: Get medical advice/attention.
Wash contaminated clothing before reuse.
Call a POISON CENTER or doctor/physician if you feel unwell.
[Storage] Store in a well-ventilated place. Keep cool.
[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
Substance/mixture:
Components: Ethyl 2-Hydroxy-3-butynoate
Percent: >95.0%(GC)
CAS Number: 18418-08-1
Synonyms: 2-Hydroxy-3-butynoic Acid Ethyl Ester
Chemical Formula: C6H8O3

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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.
Call a POISON CENTER or doctor/physician if you feel unwell.
Skin contact: Remove/Take off immediately all contaminated clothing. Gently wash with plenty of
soap and water. If skin irritation or rash occurs: Get medical advice/attention.
Eye contact: Rinse cautiously with water for several minutes. Remove contact lenses, if present
and easy to do. Continue rinsing. If eye irritation persists: Get medical
advice/attention.
Ingestion: Call a POISON CENTER or doctor/physician if you feel unwell. Rinse mouth.
A rescuer should wear personal protective equipment, such as rubber gloves and air-
Protection of first-aiders:
tight goggles.

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Section 5. FIRE-FIGHTING MEASURES
Suitable extinguishing Dry chemical, foam, water spray, carbon dioxide.
media:
Unsuitable extinguishing Solid streams of water
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
Personal precautions, Use personal protective equipment. Keep people away from and upwind of spill/leak.
protective equipment and Ensure adequate ventilation. Entry to non-involved personnel should be controlled
emergency procedures: 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.
Ethyl 2-Hydroxy-3-butynoate

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Section 6. ACCIDENTAL RELEASE MEASURES
Prevention of secondary Remove all sources of ignition. Fire-extinguishing devices should be prepared in
hazards: case of a fire. Use spark-proof tools and explosion-proof equipment.

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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. Keep away from flames and hot surfaces. Take
measures to prevent the build up of electrostatic charge. Use explosion-proof
equipment. Wash hands and face thoroughly after handling.
Use a closed system, ventilation.
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 freezer.
Store away from incompatible materials such as oxidizing agents.
Heat-sensitive
Comply with laws.
Packaging material:

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Section 8. EXPOSURE CONTROLS / PERSONAL PROTECTION
Engineering controls: Install a closed system or local exhaust as possible so that workers should not be
exposed directly. Also install safety shower and eye bath.
Personal protective equipment
Respiratory protection: Vapor respirator. Follow local and national regulations.
Hand protection: Protective gloves.
Safety glasses. A face-shield, if the situation requires.
Eye protection:
Skin and body protection: 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: Very pale yellow - Yellow
No data available
Odour:
pH: No data available
Melting point/freezing point:No data available
Boiling point/range: 78°C/1.5kPa
No data available
Flash point:
Flammability or explosive
limits:
Lower: No data available
Upper: No data available
Relative density: 1.10
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:
Conditions to avoid: Open flame
Incompatible materials: Oxidizing agents
Hazardous decomposition Carbon monoxide, Carbon dioxide
products:

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Section 11. TOXICOLOGICAL INFORMATION
Acute Toxicity: No data available
Ethyl 2-Hydroxy-3-butynoate

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Section 11. TOXICOLOGICAL INFORMATION
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
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: Does not correspond to the classification standard of the United Nations
UN-No: Not listed

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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-羟基-3-丁炔酸乙酯 在 五氯化磷 作用下， 以 乙醚 为溶剂， 生成 2-Chlor-but-3-insaeure-ethylester
  参考文献：
  名称：

  Verny,M.; Vessiere,R., Bulletin de la Societe Chimique de France, 1967, p. 2210 - 2216

  摘要：

  DOI：
• 作为产物：
  描述：

  乙醇 、 2-Hydroxy-3-butin-nitril 在 盐酸 作用下， 生成 2-羟基-3-丁炔酸乙酯
  参考文献：
  名称：

  Rambaud,R. et al., Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, 1963, vol. 257, p. 1619 - 1621

  摘要：

  DOI：

文献信息

• [EN] ALKYNYL ALCOHOLS AND METHODS OF USE<br/>[FR] ALCOOLS D'ALCYNYLE ET PROCÉDÉS D'UTILISATION CORRESPONDANTS
  申请人：HOFFMANN LA ROCHE

  公开号：WO2015025025A1

  公开（公告）日：2015-02-26

  The invention relates to compounds of Formula (0): wherein Q, A1-A8, R4 and R5 and each has the meaning as described herein. Compounds of Formula (0) and pharmaceutical compositions thereof are useful in the treatment of diseases and disorders in which undesired or over- activation of NF-kB signaling is observed.

  这项发明涉及以下式的化合物（0）：其中Q，A1-A8，R4和R5分别具有如本文所述的含义。式（0）的化合物及其药物组成物在治疗观察到NF-kB信号通路的不良或过度活化的疾病和紊乱中是有用的。
• Microwave-assisted synthesis of some novel 1,2,3-triazoles by click chemistry, and their biological activity
  作者：Na-Na Su、Yao Li、Shu-Jing Yu、Xiao Zhang、Xing-Hai Liu、Wei-Guang Zhao

  DOI：10.1007/s11164-012-0595-9

  日期：2013.2

  Five mandipropamid analogues were designed and synthesized via “click chemistry”. The phenyl ring of mandipropamid was substituted by a 1,2,3-triazole functional group. Bioassay results indicated that some of the title compounds had moderate fungicidal activity.

  通过 "点击化学 "设计并合成了五种曼地丙酰胺类似物。曼地丙酰胺的苯基环被 1,2,3-三唑官能团取代。生物测定结果表明，一些标题化合物具有中等杀菌活性。
• ALKYNYL ALCOHOLS AND METHODS OF USE
  申请人：Genentech, Inc.

  公开号：US20150065482A1

  公开（公告）日：2015-03-05

  The invention relates to compounds of Formula (0): wherein Q, A 1 -A 8 , R 4 and R 5 and each has the meaning as described herein. Compounds of Formula (0) and pharmaceutical compositions thereof are useful in the treatment of diseases and disorders in which undesired or over-activation of NF-kB signaling is observed.

  本发明涉及化合物公式（0）：其中Q，A1-A8，R4和R5的含义如本文所述。公式（0）的化合物及其制药组合物在治疗观察到NF-kB信号不良或过度激活的疾病和疾病中非常有用。
• OXO-SUBSTITUTED COMPOUND
  申请人：Sumitomo Dainippon Pharma Co., Ltd.

  公开号：EP3786168A1

  公开（公告）日：2021-03-03

  Provided is a novel compound that has an excellent β-lactamase inhibitory effect. More specifically, provided is a compound represented by formula (1a), (1b) or (11) having an excellent β-lactamase inhibitory effect or a pharmaceutically acceptable salt thereof. By using this compound either in combination with a β-lactam drug or alone, a useful preventive or therapeutic agent for bacterial infections is provided. Also provided are useful preventive or therapeutic agents for treating various diseases with the combined use of the aforesaid compound and β-lactam drugs.

  本发明提供了一种新型化合物，它具有极佳的β-内酰胺酶抑制效果。更具体地说，本发明提供了一种由式（1a）、（1b）或（11）表示的化合物或其药学上可接受的盐，该化合物具有优异的β-内酰胺酶抑制作用。通过将该化合物与β-内酰胺类药物结合使用或单独使用，可提供一种有效的细菌感染预防或治疗药物。此外，还提供了联合使用上述化合物和β-内酰胺类药物治疗各种疾病的有效预防或治疗剂。
• Oxo-substituted compound
  申请人：SUMITOMO DAINIPPON PHARMA CO., LTD.

  公开号：US11066425B1

  公开（公告）日：2021-07-20

  Provided is a novel compound that has an excellent β-lactamase inhibitory effect. More specifically, provided is a compound represented by formula (1a), (1b) or (11) having an excellent β-lactamase inhibitory effect or a pharmaceutically acceptable salt thereof. By using this compound either in combination with a β-lactam drug or alone, a useful preventive or therapeutic agent for bacterial infections is provided. Also provided are useful preventive or therapeutic agents for treating various diseases with the combined use of the aforesaid compound and β-lactam drugs.

  本发明提供了一种新型化合物，它具有极佳的β-内酰胺酶抑制效果。更具体地说，本发明提供了一种由式（1a）、（1b）或（11）表示的化合物或其药学上可接受的盐，该化合物具有优异的β-内酰胺酶抑制作用。通过将该化合物与β-内酰胺类药物结合使用或单独使用，可提供一种有效的细菌感染预防或治疗药物。此外，还提供了联合使用上述化合物和β-内酰胺类药物治疗各种疾病的有效预防或治疗剂。