64920-29-2 (2-氧代-基丁酸乙酯,Ethyl 2-oxo-4-phenylbutyrate (>90%))

快速询单

结构式：

2-氧代-基丁酸乙酯MOL文件

CAS号：

64920-29-2

中文名称：

2-氧代-基丁酸乙酯

英文名称：

Ethyl 2-oxo-4-phenylbutyrate (>90%)

分子式：

C₁₂H₁₄O₃

分子量：

206.237763881683

2-氧代-基丁酸乙酯(64920-29-2)名称与标识符

名称

中文别名：

2-氧代-基丁酸乙酯;2-氧代-4-苯基丁酸乙酯,EOPB;2-氧代-4-苯基丁酸乙酯;2-氧代苯丁酸乙酯;α-氧代苯丁酸乙酯;纤维蛋白;2-羰基-4-苯基丁酸乙酯;2-氧-4-苯基丁酸乙酯;2-氧代-4-苯基丁酸乙酯(EOPB);Ethyl 2-Oxo-4-phenylbutyrate 2-氧代-4-苯基丁酸乙酯;α-酮基-4-苯基丁酸乙酯;

英文别名：

Ethyl 2-oxo-4-phenylbutanoate;2-OXO-4-PHENYLBUTANOIC ACID ETHYL ESTER;2-OXO-4-PHENYLBUTYRIC ACID ETHYL ESTER;4-PHENYL-2-OXOBUTYRIC ACID ETHYL ESTER;BENZYLPYRUVIC ACID ETHYL ESTER;KETO ESTER;ETHYL BENZYLPYRUVATE;ETHYL-2 OXO-4 PHENYL BUTANOATE;Ethyl 2-oxo-4-phenylbutyrate;2-oxo-4-phenyl-butyric acid ethyl ester;2-oxo-4-phenylhexanoate;Ethy 2-oxo-4-phenylbutyrate;ethyl 2-keto-4-phenylbutyrate;ethyl 2-oxo-4-phenyl-butyrate;Ethyl 4-phenyl-2-oxobutanoate;ETHYL-2-OXO-4-PHENYLBUTRATE;Ethyl 3-benzylpyruvate;Ethyl 4-phenyl-2-ketobutyrate;Ethyl 4-phenyl-2-oxobutyrate;Ethyl 2-Oxo-Phenylbutrate (Eopb);2-Oxo-4-phenylbutanoicacid ethyl ester;4-Phenyl-2-oxobutyricacid ethyl ester;Ethyl4-phenyl-2-oxobutanoate;ETHYL-2-OXO-4-PHENYLBUTYRATE;2-oxo-4-phenyl butyric acid ethyl ester;5YNU9LPT51;ethyl 2-oxo-4-phenyl-butanoate;STPXIOGYOLJXMZ-UHFFFAOYSA-N;Ethyl2-oxo-4-phenylbutyrate;PubChem18829;Benzenebutanoic acid, .alpha.-oxo-, ethyl ester;Ethyl 2-oxo-4-phenylbutyrate, 97%;AMY11114;DTXCID2031582;Tox21_113802;E0687;SR-01000944770;InChI=1/C12H14O3/c1-2-15-12(14)11(13)9-8-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3;FT-0640980;EINECS 265-276-9;SB67345;A-Keto-phenylbutyric acid, ethyl ester;2-keto-4-phenylbutyric acid ethyl ester;CAS-64920-29-2;EN300-21226;STPXIOGYOLJXMZ-UHFFFAOYSA-;NS00035760;NCGC00253678-01;Ethyl2-oxo-4-phenylbutanoate;SY013535;64920-29-2;SR-01000944770-1;CHEMBL3183364;ETHYL PHENETHYLOXALATE;Ethyl 2-oxo-4-phenylbutyrate (>90%);Q27263064;Q-201080;Z104494692;FT-0668355;Ethyl 2-oxo-4-phenylbutyrate (93per cent);SCHEMBL304796;2-Oxo-4-phenylbutyric acid, ethyl ether;AC8658;AC-5142;A8839;UNII-5YNU9LPT51;Ethyl 2-oxo-4-phenylbutyrate, purum, >=97.0% (GC);AKOS000121618;AS-14138;2-oxo-4-phenylbutyric acid, ethyl ester;Ethyl 2-oxo-4-phenylbutanoate #;DTXSID1057793;MFCD00037533;ethyl-4-phenyl-2-oxobutyrate;DB-054748;

标识符

MDL：

MFCD00037533

InChIKey：

STPXIOGYOLJXMZ-UHFFFAOYSA-N

Inchi：

1S/C12H14O3/c1-2-15-12(14)11(13)9-8-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3

SMILES：

O(CC)C(C(CCC1C=CC=CC=1)=O)=O

BRN：

2725083

2-氧代-基丁酸乙酯(64920-29-2)物化性质

实验特性

LogP : 1.75140
PSA : 43.37000
折射率 : n20/D 1.504(lit.)
沸点 : 136°C/2mmHg(lit.)
熔点 : No data available
闪点 : 华氏：235.4 °F
摄氏：113 °C
颜色与性状 : 黄色液体。
溶解性 : 未确定。
密度 : 1.091 g/mL at 25 °C(lit.)

计算特性

精确分子量 : 206.09400
氢键供体数量 : 0
氢键受体数量 : 3
可旋转化学键数量 : 6
同位素质量 : 206.094
重原子数量 : 15
复杂度 : 217
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） : 2.3
互变异构体数量 : 2
表面电荷 : 0
拓扑分子极性表面积 : 43.4

2-氧代-基丁酸乙酯(64920-29-2)安全信息

WGK Germany： 3
安全术语： S23;S24/25
安全说明： S23-S24/25
风险术语： R36/37/38
危险品标志： Xi
危险品运输编号： NONH for all modes of transport
危害声明：H302-H315-H319-H332-H335
警示性声明：P261; P264; P271; P280; P302+P352; P304+P340; P305+P351+P338; P312; P321; P332+P313; P337+P313; P362; P403+P233; P405; P501
储存条件： Store at room temperature
危险类别码： 36/37/38
信号词： Warning

2-氧代-基丁酸乙酯(64920-29-2)国际标准相关数据

EINECS：

265-276-9

2-氧代-基丁酸乙酯(64920-29-2)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%

2-氧代-基丁酸乙酯(64920-29-2)生产方法和用途

用途：

用作有机合成中间体、药物中间体。

2-氧代-基丁酸乙酯(64920-29-2)推荐厂家更多厂家(49)

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2-氧代-基丁酸乙酯(64920-29-2)上下游

N2-[1-(S)-乙氧羰基-3-苯丙基]-N6-三氟乙酰基-L-赖氨酸-L-脯氨酸 (S)-2-羟基-4-苯基丁酸乙酯盐酸地拉普利盐酸贝那普利盐酸贝那普利

2-氧代-基丁酸乙酯(64920-29-2)参考资料

Reaxys RN：

2725083

Beilstein：

2725083

PubChem CID：

562087

2-氧代-基丁酸乙酯(64920-29-2) MSDS

基础信息

Name:	Ethyl 2-oxo-4-phenylbutyrate 97% Material Safety Data Sheet
Synonym:
CAS:	64920-29-2

Section 1 - Chemical Product ? MSDS Name:Ethyl 2-oxo-4-phenylbutyrate 97% Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
64920-29-2	Ethyl 2-oxo-4-phenylbutyrate	97%	265-276-9

Hazard Symbols: None Listed.
Risk Phrases: None Listed.

Section 3 - HAZARDS IDENTIFICATION
? EMERGENCY OVERVIEW
Not available.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation. May be harmful if absorbed through the skin.
Ingestion:
May cause irritation of the digestive tract. May be harmful if swallowed.
Inhalation:
May cause 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.
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.
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:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 64920-29-2: 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: yellow
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 241 deg C @ 760 mmH
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:
Specific Gravity/Density: 1.091
Molecular Formula: C12H14O3
Molecular Weight: 206.0962

Section 10 - STABILITY AND REACTIVITY
? Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Carbon monoxide, carbon dioxide.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
? RTECS#:
CAS# 64920-29-2 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
Ethyl 2-oxo-4-phenylbutyrate - 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
No information available.
IMO
No information available.
RID/ADR
No information available.

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.
WGK (Water Danger/Protection)
CAS# 64920-29-2: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 64920-29-2 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 64920-29-2 is not listed on the TSCA inventory.
It is for research and development use only.

SECTION 16 - ADDITIONAL INFORMATION
N/A