52133-67-2 (2-氰基-4,4-二乙氧基丁酸乙酯,ethyl 2-cyano-4,4-diethoxybutanoate)

CAS号:
52133-67-2
中文名称:
2-氰基-4,4-二乙氧基丁酸乙酯
英文名称:
ethyl 2-cyano-4,4-diethoxybutanoate
分子式:
C11H19NO4
分子量:
229.27286362648

2-氰基-4,4-二乙氧基丁酸乙酯(52133-67-2)名称与标识符

名称

中文别名:
2-氰基-4,4-二乙氧基丁酸乙酯;4,4-二乙氧基乙酰乙酸乙酯;4,4-二乙氧基-3-羰基-丁酸乙酯;
英文别名:
Ethyl 2-cyano-4,4-diethoxybutyrate;ETHYL 2,2-DIETHOXYETHYLCYANOACETATE;ETHYL 2-CYANO-4,4-DIETHOXYBUTANOATE;AKOS 92469;ETHYL-2,2-DIETHOXYTHYLCYANOACETATE;Ethyl-2-Cyano-4,4-Diethoxybutanoide;Butanoic acid, 2-cyano-4,4-diethoxy-, ethyl ester;J-520748;AB2838;ethyl alpha-cyano-gamma,gamma-diethoxybutyrate;DTXSID90399970;SCHEMBL124942;SY029877;FT-0640047;EN300-130795;MFCD02094250;A828944;AKOS016842411;AHKACZDKUNMFBD-UHFFFAOYSA-N;2-cyano-4,4-diethoxy butyric acid ethyl ester;ethyl 2-cyano-4,4-diethoxy-butanoate;Ethyl 2-cyano-4,4-diethoxybutyrate;Ethyl 2-cyano-4,4-diethoxybutyrate?;2-cyano-4,4-diethoxy-butyric acid ethyl ester;ethyl-2-cyano-4,4-diethoxybutanoate;52133-67-2;PB29184;AMY31942;Ethyl 2-cyano-4 pound not4-diethoxybutyrate;AKOS000281353;CS-M3533;AC-25498;AS-15760;2-Cyano-4,4-diethoxybutyric Acid Ethyl Ester;DB-007478;Succinaldehydic acid, 2-cyano-, ethyl ester, diethyl acetal;3PH566ZFZ3;

标识符

MDL:
MFCD02094250
InChIKey:
AHKACZDKUNMFBD-UHFFFAOYSA-N
Inchi:
1S/C11H19NO4/c1-4-14-10(15-5-2)7-9(8-12)11(13)16-6-3/h9-10H,4-7H2,1-3H3
SMILES:
O(CC)C(CC(C#N)C(=O)OCC)OCC

2-氰基-4,4-二乙氧基丁酸乙酯(52133-67-2)物化性质

实验特性

  • LogP : 1.47848
  • PSA : 68.55000
  • 折射率 : 1.44
  • 沸点 : 335.2℃ at 760 mmHg
  • 熔点 : No data available
  • 蒸气压 : 0.0±0.5 mmHg at 25°C
  • 闪点 : >110°C
  • 颜色与性状 : No data avaiable
  • 密度 : 1,025 g/cm3

计算特性

  • 精确分子量 : 229.13100
  • 氢键供体数量 : 0
  • 氢键受体数量 : 5
  • 可旋转化学键数量 : 9
  • 同位素质量 : 229.131
  • 重原子数量 : 16
  • 复杂度 : 240
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 0
  • 不确定原子立构中心数量 : 1
  • 确定化学键立构中心数量 : 0
  • 不确定化学键立构中心数量 : 0
  • 共价键单元数量 : 1
  • 疏水参数计算参考值(XlogP) : 1.4
  • 拓扑分子极性表面积 : 68.6A^2

2-氰基-4,4-二乙氧基丁酸乙酯(52133-67-2)推荐厂家 更多厂家(72)

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湖北摆渡化学有限公司 13517219350
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铼博(上海)生化科技有限公司 13311756052
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湖北鑫红利化工有限公司 15172537016
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张思胧 1400858822
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2-氰基-4,4-二乙氧基丁酸乙酯(52133-67-2) MSDS

基础信息

Name:Ethyl 2-cyano-4,4-diethoxybutanoate Material Safety Data Sheet
Synonym:
CAS:52133-67-2
Section 1 - Chemical Product MSDS Name: Ethyl 2-cyano-4,4-diethoxybutanoate Material Safety Data Sheet
Synonym:

SECTION 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS#Chemical NamecontentEINECS#
52133-67-2Ethyl 2-cyano-4,4-diethoxybutanoateunlisted
Hazard Symbols: XI
Risk Phrases: 36/37/38
SECTION 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW Irritating to eyes, respiratory system and skin. Potential Health Effects
Eye:
Causes eye irritation.
Skin:
Causes skin irritation. May be harmful if absorbed through the skin.
Ingestion:
May cause irritation of the digestive tract. May be harmful if swallowed.
Inhalation:
Causes respiratory tract irritation. May be harmful if inhaled.
Chronic:
Not available.
SECTION 4 - FIRST AID MEASURES
Eyes:
Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid.
Skin:
Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Ingestion:
Get medical aid. Wash mouth out with water.
Inhalation:
Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid.
Notes to Physician:
Treat symptomatically and supportively.
SECTION 5 - FIRE FIGHTING MEASURES
General Information:
As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear.
Extinguishing Media:
Use water spray, dry chemical, carbon dioxide, or chemical foam.
SECTION 6 - ACCIDENTAL RELEASE MEASURES
General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Absorb spill with inert material (e.g. vermiculite, sand or earth), then place in suitable container.
SECTION 7 - HANDLING and STORAGE
Handling:
Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes.
Storage:
Store in a cool, dry place. Store in a tightly closed container.
SECTION 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use adequate ventilation to keep airborne concentrations low. Exposure Limits CAS# 52133-67-2: Personal Protective Equipment
Eyes:
Not available.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to prevent skin exposure.
Respirators:
Follow the OSHA respirator regulations found in 29 CFR 1910.134 or European Standard EN 149. Use a NIOSH/MSHA or European Standard EN 149 approved respirator if exposure limits are exceeded or if irritation or other symptoms are experienced.
SECTION 9 - PHYSICAL AND CHEMICAL PROPERTIES
Physical State: Liquid
Color: colorless
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 86 deg C @ 0.1mmHg
Freezing/Melting Point: Not available.
Autoignition Temperature: Not available.
Flash Point: > 110 deg C (> 230.00 deg F)
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water: Slightly soluble.
Specific Gravity/Density: 1.0248
Molecular Formula: C11H19NO4
Molecular Weight: 229.28
SECTION 10 - STABILITY AND REACTIVITY
Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Strong acids, strong bases, strong oxidizing agents, strong reducing agents.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, carbon dioxide.
Hazardous Polymerization: Has not been reported
SECTION 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 52133-67-2 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
Ethyl 2-cyano-4,4-diethoxybutanoate - Not listed by ACGIH, IARC, or NTP.
SECTION 12 - ECOLOGICAL INFORMATION
SECTION 13 - DISPOSAL CONSIDERATIONS Dispose of in a manner consistent with federal, state, and local regulations.
SECTION 14 - TRANSPORT INFORMATION IATA Not regulated as a hazardous material. IMO Not regulated as a hazardous material. RID/ADR Not regulated as a hazardous material.
SECTION 15 - REGULATORY INFORMATION European/International Regulations European Labeling in Accordance with EC Directives
Hazard Symbols: XI
Risk Phrases:
R 36/37/38 Irritating to eyes, respiratory system and skin.
Safety Phrases:
S 26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 37/39 Wear suitable gloves and eye/face protection. WGK (Water Danger/Protection) CAS# 52133-67-2: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 52133-67-2 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 52133-67-2 is not listed on the TSCA inventory. It is for research and development use only.
SECTION 16 - ADDITIONAL INFORMATION
MSDS Creation Date: 4/03/2003 Revision #0 Date: Original. The information above is believed to be accurate and represents the best information currently available to us. However, we make no warranty of merchantability or any other warranty, express or implied, with respect to such information, and we assume no liability resulting from its use. Users should make their own investigations to determine the suitability of the information for their particular purposes. In no way shall the company be liable for any claims, losses, or damages of any third party or for lost profits or any special, indirect, incidental, consequential or exemplary damages, howsoever arising, even if the company has been advised of the possibility of such damages.

SECTION 16 - ADDITIONAL INFORMATION
N/A