5965-53-7 (二乙基 2-氧代戊二酸酯,Diethyl 2-oxopentanedioate)

CAS号:
5965-53-7
中文名称:
二乙基 2-氧代戊二酸酯
英文名称:
Diethyl 2-oxopentanedioate
分子式:
C9H14O5
分子量:
202.204463481903

二乙基 2-氧代戊二酸酯(5965-53-7)名称与标识符

名称

中文别名:
2-氧代戊二酸-1,5-二乙酯;2-氧代戊烷-1,5-二甲酸二乙酯;头孢硝噻吩;二乙基 2-氧代戊二酸酯;
英文别名:
Diethyl 2-oxopentanedioate;Pentanedioic acid, 2-oxo-, 1,5-diethyl ester;diethyl 2-ketoglutarate;diethyl 2-oxo-glutarate;Diethyl oxalpropionate;ethyl 4-ethoxycarbonyl-2-oxobutanoate;UNII-D9H7KZF90H;Diethyl 2-oxoglutarate;Diethyl alpha-ketoglutarate;D9H7KZF90H;1,5-diethyl 2-oxopentanedioate;Diethyl 2-oxopentane-1,5-dicarboxylate;zlchem 727;Diethyl oxalpropanoate;.alpha.-Ketoglutaric acid diethyl ester;Pentanedioic acid, 2-oxo-, diethyl ester;2-Oxoglutaric acid diethyl ester;ZLD0181;NGRAIMFUWGFAEM-UHFFFAOYS;diethyl oxalopropionate;Ethyl ethoxalylpropionate;diethyl 2-oxoglutarate, AldrichCPR;

标识符

MDL:
MFCD00032382
InChIKey:
NGRAIMFUWGFAEM-UHFFFAOYSA-N
Inchi:
1S/C9H14O5/c1-3-13-8(11)6-5-7(10)9(12)14-4-2/h3-6H2,1-2H3
SMILES:
CCOC(CCC(C(OCC)=O)=O)=O

二乙基 2-氧代戊二酸酯(5965-53-7)物化性质

实验特性

  • LogP : 0.46190
  • PSA : 69.67000
  • 折射率 : 1.4
  • 沸点 : 126-128°C 12mm
  • 闪点 : 283 °C at 760 mmHg
  • 密度 : 0,98 g/cm3

计算特性

  • 精确分子量 : 202.08400
  • 氢键供体数量 : 0
  • 氢键受体数量 : 5
  • 可旋转化学键数量 : 8
  • 同位素质量 : 202.084
  • 重原子数量 : 14
  • 复杂度 : 221
  • 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 : 0
  • 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) : 0.5
  • 拓扑分子极性表面积 : 69.7

二乙基 2-氧代戊二酸酯(5965-53-7)安全信息

二乙基 2-氧代戊二酸酯(5965-53-7)国际标准相关数据

EINECS:
227-750-3

二乙基 2-氧代戊二酸酯(5965-53-7)海关数据

海关编码:
2918300090
海关数据:

中国海关编码:

2918300090

概述:

2918300090 其他含醛基或酮基不含其他含氧基羧酸(包括酸酐、酰卤化物、过氧化物和过氧酸及该税号的衍生物). 增值税率:17.0% 退税率:9.0% 监管条件:无 最惠国关税:6.5% 普通关税:30.0%

申报要素:

品名, 成分含量, 用途

Summary:

2918300090 other carboxylic acids with aldehyde or ketone function but without other oxygen function, their anhydrides, halides, peroxides, peroxyacids and their derivatives。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:6.5%。General tariff:30.0%

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湖北巨胜科技有限公司 18871490354王珊 1400848866
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二乙基 2-氧代戊二酸酯(5965-53-7)相关文献

二乙基 2-氧代戊二酸酯(5965-53-7) MSDS

基础信息

Name:Diethyl oxalpropionate 97% Material Safety Data Sheet
Synonym:Diethyl 2-methyl-2'-oxosuccinat
CAS:5965-53-7
Section 1 - Chemical Product ? MSDS Name:Diethyl oxalpropionate 97% Material Safety Data Sheet
Synonym:Diethyl 2-methyl-2'-oxosuccinat

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS#Chemical NamecontentEINECS#
5965-53-7Diethyl oxalpropionate97227-750-3
Hazard Symbols: None Listed.
Risk Phrases: None Listed.

Section 3 - HAZARDS IDENTIFICATION
? EMERGENCY OVERVIEW
The toxicological properties of this material have not been fully investigated.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation.
Ingestion:
May cause irritation of the digestive tract. The toxicological properties of this substance have not been fully investigated.
Inhalation:
May cause respiratory tract irritation. The toxicological properties of this substance have not been fully investigated.
Chronic:
No information found.

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. Wash clothing before reuse.
Ingestion:
Never give anything by mouth to an unconscious person. Get medical aid. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or 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:

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. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion. Vapors may be heavier than air. They can spread along the ground and collect in low or confined areas.
Extinguishing Media:
Use agent most appropriate to extinguish fire. Use water spray, dry chemical, carbon dioxide, or appropriate 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. Clean up spills immediately, observing precautions in the Protective Equipment section. Provide ventilation.

Section 7 - HANDLING and STORAGE
? Handling:
Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Use with adequate ventilation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation.
Storage:
Keep container closed when not in use. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

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# 5965-53-7: Personal Protective Equipment Eyes: Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to prevent skin exposure.
Respirators:
A respiratory protection program that meets OSHA's 29 CFR 1910.134 and ANSI Z88.2 requirements or European Standard EN 149 must be followed whenever workplace conditions warrant respirator use.

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES
?
Physical State: Liquid
Color: clear very slight yellow
Odor: None reported.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 138 deg C @ 23.00 mmHg
Freezing/Melting Point: Not available.
Autoignition Temperature: Not applicable.
Flash Point: > 112 deg C (> 233.60 deg F)
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density: 1.0730 g/cm3
Molecular Formula: C9H14O5
Molecular Weight: 202.21

Section 10 - STABILITY AND REACTIVITY
? Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, excess heat, strong oxidants.
Incompatibilities with Other Materials:
Acids, bases, oxidizing agents, reducing agents.
Hazardous Decomposition Products:
Carbon monoxide, irritating and toxic fumes and gases, carbon dioxide.
Hazardous Polymerization: Has not been reported.

Section 11 - TOXICOLOGICAL INFORMATION
? RTECS#:
CAS# 5965-53-7 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
Diethyl oxalpropionate - 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: Not available.
Risk Phrases:
Safety Phrases:
S 24/25 Avoid contact with skin and eyes.
S 28A After contact with skin, wash immediately with
plenty of water.
S 37 Wear suitable gloves.
S 45 In case of accident or if you feel unwell, seek
medical advice immediately (show the label where
possible).
WGK (Water Danger/Protection)
CAS# 5965-53-7: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 5965-53-7 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 5965-53-7 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A