175277-78-8 (2-乙基-5-甲基-4-氧代-4,5-二氢呋喃-3-羧酸甲酯,Methyl 2-ethyl-5-methyl-4-oxo-4,5-dihydrofuran-3-carboxylate)

快速询单

结构式：

2-乙基-5-甲基-4-氧代-4,5-二氢呋喃-3-羧酸甲酯MOL文件

CAS号：

175277-78-8

中文名称：

2-乙基-5-甲基-4-氧代-4,5-二氢呋喃-3-羧酸甲酯

英文名称：

Methyl 2-ethyl-5-methyl-4-oxo-4,5-dihydrofuran-3-carboxylate

分子式：

C₉H₁₂O₄

分子量：

184.189183235168

2-乙基-5-甲基-4-氧代-4,5-二氢呋喃-3-羧酸甲酯(175277-78-8)名称与标识符

名称

中文别名：

2-乙基-5-甲基-4-氧代-4,5-二氢呋喃-3-羧酸甲酯;

英文别名：

Methyl 2-ethyl-5-methyl-4-oxo-4,5-dihydrofuran-3-carboxylate;3-Furancarboxylic acid,2-ethyl-4,5-dihydro-5-methyl-4-oxo-, methyl ester;methyl 2-ethyl-5-methyl-4-oxofuran-3-carboxylate;RNFRVBXZWXNWNF-UHFFFAOYSA-N;METHYL 2-ETHYL-5-METHYL-5-OXO-4,5-DIHYDROFURAN-3-CARBOXYLATE;FT-0628454;DTXSID50384125;175277-78-8;3-Furancarboxylic acid, 2-ethyl-4,5-dihydro-5-methyl-4-oxo-, methyl ester;AKOS006229027;

标识符

InChIKey：

RNFRVBXZWXNWNF-UHFFFAOYSA-N

Inchi：

1S/C9H12O4/c1-4-6-7(9(11)12-3)8(10)5(2)13-6/h5H,4H2,1-3H3

SMILES：

O1C(CC)=C(C(=O)OC)C(C1C)=O

2-乙基-5-甲基-4-氧代-4,5-二氢呋喃-3-羧酸甲酯(175277-78-8)物化性质

实验特性

LogP : 0.81130
PSA : 52.60000
折射率 : 1.469
沸点 : 268.9°Cat760mmHg
蒸气压 : 0.0±0.6 mmHg at 25°C
闪点 : 114.8°C
密度 : 1.146

计算特性

精确分子量 : 184.07400
氢键供体数量 : 0
氢键受体数量 : 4
可旋转化学键数量 : 3
同位素质量 : 184.07355886g/mol
重原子数量 : 13
复杂度 : 277
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） : 1.3
拓扑分子极性表面积 : 52.6Å²

2-乙基-5-甲基-4-氧代-4,5-二氢呋喃-3-羧酸甲酯(175277-78-8)安全信息

安全术语： S24/25
安全说明： S24/25
危害声明：H303+H313+H333
警示性声明：P264+P280+P305+P351+P338+P337+P313
储存条件： storage at -4℃ (1-2weeks), longer storage period at -20℃ (1-2years)
信号词： warning

2-乙基-5-甲基-4-氧代-4,5-二氢呋喃-3-羧酸甲酯(175277-78-8)国际标准相关数据

EINECS：

2-乙基-5-甲基-4-氧代-4,5-二氢呋喃-3-羧酸甲酯(175277-78-8)海关数据

海关编码：

2932190090

海关数据：

中国海关编码：

2932190090

概述：

2932190090 其他结构上有非稠合呋喃环化合物. 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:20.0%

申报要素：

品名, 成分含量, 用途

Summary：

2932190090 other compounds containing an unfused furan ring (whether or not hydrogenated) in the structure VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:20.0%

2-乙基-5-甲基-4-氧代-4,5-二氢呋喃-3-羧酸甲酯(175277-78-8)参考资料

Reaxys RN：

PubChem CID：

2799977

2-乙基-5-甲基-4-氧代-4,5-二氢呋喃-3-羧酸甲酯(175277-78-8) MSDS

基础信息

Name:	Methyl 2-ethyl-5-methyl-4-oxo-4 5-dihydrofuran-3-carboxylate 97% Material Safety Data Sheet
Synonym:	5-Ethyl-4-ethoxycarbonyl-2-methyl-3(2H)furanon
CAS:	175277-78-8

Section 1 - Chemical Product ? MSDS Name:Methyl 2-ethyl-5-methyl-4-oxo-4 5-dihydrofuran-3-carboxylate 97% Material Safety Data Sheet
Synonym:5-Ethyl-4-ethoxycarbonyl-2-methyl-3(2H)furanon

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
175277-78-8	Methyl 2-ethyl-5-methyl-4-oxo-4,5-dihy	97%	unlisted

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:
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:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 175277-78-8: 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: 89 deg C @ 0.35mmHg
Freezing/Melting Point: Not available.
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C9H12O4
Molecular Weight: 184

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

Section 11 - TOXICOLOGICAL INFORMATION
? RTECS#:
CAS# 175277-78-8 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
Methyl 2-ethyl-5-methyl-4-oxo-4,5-dihydrofuran-3-carboxylate - 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# 175277-78-8: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 175277-78-8 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 175277-78-8 is not listed on the TSCA inventory.
It is for research and development use only.

SECTION 16 - ADDITIONAL INFORMATION
N/A