乙基-4-乙氧基丁酸 | 26448-91-9

• 物质功能分类: 有机原料 - 羧酸类化合物及衍生物
• 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: 乙基-4-乙氧基丁酸
• 中文别名: 4-乙氧基丁酸乙酯
• 英文名称: 4-ethoxy-butyric acid ethyl ester
• 英文别名: 4-ethoxybutyric acid ethyl ester；Ethyl 4-ethoxybutanoate；ethyl 4-ethoxybutyrate；4-Aethoxy-buttersaeure-aethylester；γ-Aethoxy-buttersaeure-aethylester；Ethyl-4-ethoxy-butyrat
• CAS: 26448-91-9
• 化学式: C₈H₁₆O₃
• 分子量: 160.213
• InChiKey: NQYKGEPHDRUFJL-UHFFFAOYSA-N

物化性质

• 沸点：
  183-186 °C (lit.)
• 密度：
  0.928 g/mL at 25 °C (lit.)
• 闪点：
  160 °F
• 稳定性/保质期：
  遵照规定使用和储存，则不会分解。

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  11
• 可旋转键数：
  7
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.88
• 拓扑面积：
  35.5
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• 海关编码：
  2918990090
• WGK Germany：
  3
• 储存条件：
  存于阴凉干燥处

SDS

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Section 1. IDENTIFICATION OF THE SUBSTANCE/MIXTURE
Product identifiers
Product name : Ethyl 4-ethoxybutyrate
CAS-No. : 26448-91-9
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 : C8 H16 O3
Molecular Weight : 160,21 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
To the best of our knowledge, the chemical, physical, and toxicological properties have not been
thoroughly investigated.
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
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 breathing vapors, mist or gas.
Environmental precautions
Do not let product enter drains.
Methods and materials for containment and cleaning up
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
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. Containers which are
opened must be carefully resealed and kept upright to prevent leakage.
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
impervious clothing, 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 not required. For nuisance exposures use type OV/AG (US) or type ABEK
(EU EN 14387) respirator cartridges. 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: liquid
Colour: colourless
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 183 - 186 °C at 1.013 hPa
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 0,928 g/cm3
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.
Signs and Symptoms of Exposure
To the best of our knowledge, the chemical, physical, and toxicological properties have not been
thoroughly investigated.
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
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
no data available

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Section 16. OTHER INFORMATION
Further information
Copyright 2012 Co. LLC. License granted to make unlimited paper copies for internal use
only.
The above information is believed to be correct but does not purport to be all inclusive and shall be
used only as a guide. The information in this document is based on the present state of our knowledge
and is applicable to the product with regard to appropriate safety precautions. It does not represent any
guarantee of the properties of the product. Corporation and its Affiliates shall not be held
liable for any damage resulting from handling or from contact with the above product. See
and/or the reverse side of invoice or packing slip for additional terms and conditions of sale.

上下游信息

• 上游原料

  中文名称	英文名称	CAS号	化学式	分子量
  ——	4-ethoxybutanoic acid	10374-37-5	C6H12O3	132.159
  γ-丁内酯	4-butanolide	96-48-0	C4H6O2	86.0904

• 下游产品

  中文名称	英文名称	CAS号	化学式	分子量
  ——	4-ethoxybutanoic acid	10374-37-5	C6H12O3	132.159
  ——	butylene glycol monoethyl ether acetate	60905-39-7	C8H16O3	160.213
  ——	4-ethoxybutyraldehyde	21744-96-7	C6H12O2	116.16

反应信息

• 作为反应物：
  描述：

  乙基-4-乙氧基丁酸 在 乙醇 、 sodium 作用下， 生成 4-乙氧基-1-丁醇
  参考文献：
  名称：

  Dewael, Bulletin des Societes Chimiques Belges, 1926, vol. 35, p. 302

  摘要：

  DOI：
• 作为产物：
  描述：

  3-甲基-3,4-庚二烯 在 platinum(IV) oxide 硫酸 、 氢气 作用下， 生成 乙基-4-乙氧基丁酸
  参考文献：
  名称：

  艾伦。第二十八部分。丙-2-炔基乙烯基醚的克莱森重排合成抗生素乳糖醇和烯丙酸酯

  摘要：

  天然存在的4-羟基-2-乙烯基丁-2-烯-4-醇（V），烯丙基类似物[4-羟基-3,3-二甲基-2-亚乙烯基丁烷-4-醇（VII）]和相应的通过3-羧基丙-2-炔基乙烯基醚的克莱森型σ重排，合成了乙醛酯[2-（1-甲酰基-1-甲基乙基）丁醛-2,3-二烯酸酯（VIII）]。

  DOI：

  10.1039/p19730001349

文献信息

• Transition metal complex catalyzed carbonylation of organic halides in the presence of molecular sieves instead of base
  作者：Hisao Urata、Nan-Xin Hu、Hisayuki Maekawa、Takamasa Fuchikami

  DOI：10.1016/s0040-4039(00)92294-9

  日期：1991.1

  In the presence of molecular sieves under base free conditions organic halides are successfully carbonylated under carbon monoxide pressure with water or alcohols catalyzed by Co or Pd complex to generate the corresponding carboxylic acids or esters, respectively, in good yields.

  在无碱条件下存在分子筛的情况下，有机卤化物在一氧化碳压力下用水或由Co或Pd络合物催化的醇成功羰基化，分别以相应的收率生成相应的羧酸或酯。
• 2-(Pyridin-2-ylamino)-pyrido[2,3-d]pyrimidin-7-ones
  申请人：——

  公开号：US20030149001A1

  公开（公告）日：2003-08-07

  The present invention provides substituted 2-aminopyridines useful in treating cell proliferative disorders. The novel compounds of the present invention are potent inhibitors of cyclin-dependent kinases 4 (cdk4). 1

  这项发明提供了用于治疗细胞增殖性疾病的取代2-氨基吡啶。本发明的新化合物是cyclin-dependent激酶4 (cdk4)的有效抑制剂。
• [EN] INDOLIZINE DERIVATIVES WHICH ARE APPLICABLE TO NEURODEGENERATIVE DISEASES<br/>[FR] DÉRIVÉS D'INDOLIZINE POUVANT ÊTRE EMPLOYÉS DANS DES MALADIES NEURODÉGÉNÉRATIVES
  申请人：MERCK PATENT GMBH

  公开号：WO2016019228A1

  公开（公告）日：2016-02-04

  The present invention relates to indolizine compounds, and pharmaceutically acceptable compositions thereof, useful as antagonists of P2X7, and for the treatment of P2X7-related disorders.

  本发明涉及吲哚啉化合物及其药学上可接受的组合物，用作P2X7拮抗剂，用于治疗与P2X7相关的疾病。
• Novel Compounds
  申请人：Theoclitou Maria-Elena

  公开号：US20080004302A1

  公开（公告）日：2008-01-03

  There is provided a compound of formula (I): processes for the manufacture thereof, pharmaceutical compositions thereof and uses in therapy.

  提供了一个化合物，其化学式为(I)：制备方法、药物组合物以及在治疗中的用途。
• Carbonylation of alkyl sulfonates catalyzed by cobalt complexes
  作者：Hisao Urata、Daisuke Goto、Takamasa Fuchikami

  DOI：10.1016/0040-4039(91)80697-5

  日期：1991.6

  Alkyl sulfonates (R1-OSO2R2) react with carbon monoxide and alcohol (R3-OH) in the presence of catalytic amounts of Co complex and Nal to afford the corresponding esters (R1-COOR3) in moderate to good yields.

  烷基磺酸盐（R 1 -OSO 2 R 2）在催化量的Co络合物和Nal的存在下与一氧化碳和醇（R 3 -OH ）反应，得到相应的酯（R 1 -COOR 3）。产量。