759-58-0 (2-氰基-3-甲基丁烯酸乙酯,Ethyl 2-Cyano-3-methylbut-2-enoate)

CAS号:
759-58-0
中文名称:
2-氰基-3-甲基丁烯酸乙酯
英文名称:
Ethyl 2-Cyano-3-methylbut-2-enoate
安全信息:
分子式:
C8H11NO2
分子量:
153.178442239761

2-氰基-3-甲基丁烯酸乙酯(759-58-0)名称与标识符

名称

中文别名:
2-氰基-3-甲基丁烯酸乙酯;2-氰基-3-甲基巴豆酸乙酯;
英文别名:
Ethyl 2-Cyano-3-methyl-2-butenoate;2-Cyano-3-methyl-but-2-enoic acid ethyl ester;ethyl 2-cyano-3-methylbut-2-enoate;ETHYL 2-CYANO-3-METHYLCROTONATE;NSC127868;759-58-0;NSC1074;SCHEMBL1261327;NSC 11260;DTXSID20226821;NSC11260;Ethyl 2-cyano-3-methyl-2-butenoate #;NSC-11260;2-Butenoic acid,2-cyano-3-methyl-,ethyl ester;ethylisopropylidenecyanoacetate;NSC-127868;FT-0625951;NSC 127868;Ethyl isopropylidene(cyano)acetate;2-Butenoic acid, 2-cyano-3-methyl-, ethyl ester;ethyl isopropylidenecyanoacetate;NSC-1074;MFCD00009135;A838562;AB00963;Crotonic acid, 2-cyano-3-methyl-, ethyl ester;Ethyl 2-cyano-3-methyl-2-butenoate, 97%;CS-10174;AKOS015838700;NSC 1074;InChI=1/C8H11NO2/c1-4-11-8(10)7(5-9)6(2)3/h4H2,1-3H;DB-056001;

标识符

MDL:
MFCD00009135
InChIKey:
PZMDAADKKAXROL-UHFFFAOYSA-N
Inchi:
1S/C8H11NO2/c1-4-11-8(10)7(5-9)6(2)3/h4H2,1-3H3
SMILES:
O(C(/C(/C#N)=C(\C)/C)=O)CC
BRN:
507839

2-氰基-3-甲基丁烯酸乙酯(759-58-0)物化性质

实验特性

  • LogP : 1.40948
  • PSA : 50.09000
  • 折射率 : n20/D 1.464(lit.)
  • 沸点 : 98-99 °C/1 mmHg(lit.)
  • 熔点 : ca 20℃
  • 闪点 : 华氏:224.6 °F
    摄氏:107 °C
  • 颜色与性状 : 未确定
  • 溶解性 : 未确定
  • 密度 : 1.014 g/mL at 25 °C(lit.)

计算特性

  • 精确分子量 : 153.07900
  • 氢键供体数量 : 0
  • 氢键受体数量 : 3
  • 可旋转化学键数量 : 3
  • 同位素质量 : 153.079
  • 重原子数量 : 11
  • 复杂度 : 228
  • 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) : 1.9
  • 互变异构体数量 : 无
  • 表面电荷 : 0
  • 拓扑分子极性表面积 : 50.1A^2

2-氰基-3-甲基丁烯酸乙酯(759-58-0)安全信息

2-氰基-3-甲基丁烯酸乙酯(759-58-0)海关数据

海关编码:
2926909090
海关数据:

中国海关编码:

2926909090

概述:

2926909090 其他腈基化合物. 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:30.0%

申报要素:

品名, 成分含量, 用途

Summary:

HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

2-氰基-3-甲基丁烯酸乙酯(759-58-0)推荐厂家 更多厂家(14)

公司名称手机号/电话联系人QQ微信询单
上海源叶生物科技有限公司 15026964105
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山东玖玥生物科技有限公司 15553333686张文杰 643971
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上海瀚思化工有限公司 18939883912
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南通众合化工新材料有限公司 18762756250
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胡经理 2369399482
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北京百灵威科技有限公司 18210857532翟先生 3650742139
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金锦乐(湖南)化学有限公司 金锦乐 1226360695
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赫澎(上海)生物科技有限公司 13122891558
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张硕 3418426269
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上海一基实业有限公司 13311756052
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上海一基实业有限公司 13311756131
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胡经理 2355265332
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2-氰基-3-甲基丁烯酸乙酯(759-58-0)上下游

2-氰基-3-甲基丁烯酸乙酯(759-58-0)相关文献

2-氰基-3-甲基丁烯酸乙酯(759-58-0) MSDS

基础信息

Name:Ethyl 2-cyano-3-methyl-2-butenoate 98% Material Safety Data Sheet
Synonym:
CAS:759-58-0
Section 1 - Chemical Product ? MSDS Name:Ethyl 2-cyano-3-methyl-2-butenoate 98% Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS#Chemical NamecontentEINECS#
759-58-0Ethyl 2-cyano-3-methyl-2-butenoate98%unlisted
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.
Ingestion:
May cause irritation of the digestive tract. The toxicological properties of this substance have not been fully investigated.
Inhalation:
Causes respiratory tract irritation. The toxicological properties of this substance have not been fully investigated.
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:

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# 759-58-0: 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: Clear liquid
Color: colorless to slightly yellow
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 120 - 122 deg C @ 2
Freezing/Melting Point: Not available.
Autoignition Temperature: Not available.
Flash Point: 107 deg C ( 224.60 deg F)
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water: immiscible with water
Specific Gravity/Density: 1.0140g/cm3
Molecular Formula: C8H11NO2
Molecular Weight: 153.0825

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

Section 11 - TOXICOLOGICAL INFORMATION
? RTECS#:
CAS# 759-58-0 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
Ethyl 2-cyano-3-methyl-2-butenoate - 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: 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# 759-58-0: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 759-58-0 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 759-58-0 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A