Ethyl trans-2-butenoate 反式-2-丁烯酸乙酯

CAS 623-70-1 MFCD00009289

化学结构图

623-70-1
SMILES: C/C=C/C(=O)OCC

化学属性

Mol. FormulaCH3CH=CHCOOC2H5
Mol. Weight114
Refractive indexn20/D 1.425
Boiling Point142-143
Density0.918
Vapor Density3.9 (vs air)
Flash Point39°C(lit.)
TSCAYes
SolubilityINSOLUBLE

别名和识别编码

Chemical NameEthyl trans-2-butenoate
CAS Number623-70-1
PubChem Substance ID429065
EC Number210-808-7
Beilstein Registry Number635834
MDL NumberMFCD00009289
Synonym Crotonsäureethylester Ethyl crotronate 反式-2-丁烯酸乙酯 { (E)-2-Butenoic acid ethyl ester ethyl (E)-2-butenoate TRANS-2-BUTENOIC ACID ETHYL ESTER Crotonate D'ethyle 丁烯酸乙酯 ETHYL T2 BUTENOATE Ethyl (E)-2-crotonate Crotonsäure-ethylester TRANS-ETHYL CROTONATE Crotonic acid ethyl esterEthyl 2-butenoate {Ch (e)-crotonated’ethyl (e)-alpha-crotonicacidethyleste RARECHEM AL BI 0145 ETHYL CROTONATE Crotonate d'ethyle, (E)- Ethyl (E)-2-butenoate ETHYL TRANS-2-BUTENOATE Crotonic acid ethyl ester ethyl but-2-enoate FEMA 3486 2-Butenoic acid, ethyl ester, (E)- Crotonic acid, ethyl ester, (E)- alpha-Crotonic acid ethyl ester
Chemical Name Translation反式-2-丁烯酸乙酯
Reaxys-RN635834
Merck Number2597
Wiswesser Line Notation2OV1U2 -T
LabNetwork Molecule IDLN00009438
InChIInChI=1S/C6H10O2/c1-3-5-6(7)8-4-2/h3,5H,4H2,1-2H3/b5-3+
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分类

  • {SNA} Alphabetical Listings,
  • {SNA} Alphabetical Listings, Certified Food Grade Products, E-F, E-G, E-H,
  • {SNA} Alphabetical Listings, Certified Food Grade Products, Certified Natural Products, E-F, E-G, E-H, Flavors and Fragrances, Kosher Certified Products
  • {SNA} Alphabetical Listings,

相关文献及参考

  • Aldrich MSDS 1 , 894:C / Arctander , 1196 / Corp MSDS 1 (1), 1591:C / FT-IR 2 (1), 1028:C / FT-IR 1 (1), 641:D / FT-NMR 1 (1), 977:C / Fenaroli , 223 / IR-Spectra (3), 379:C / NMR-Reference 2 (1), 541:A / RegBook 96 (1), 721:G / RegBook 1 (1), 721:G / Sax 6 , 817 / Structure Index 1 , 110:A:4 / Vapor Phase 3 , 678:D
  • Beil. 2 ,IV,1500
  • Short: III/38B Title: Refractive Indices of Organic Liquids Author: Wohlfarth, Ch.; Wohlfarth, B. Editor: Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: III/38B Year: 1996 Keyword: organic compounds; refractive index; liquids ISBN: 3-540-60596-7 ISBN: 978-3-540-60596-6 Internet Resource: DOI:10.1007/b85533 RefComment: VII, 4210 pages, Hardcover Abstract: Volume III/38 Optical Constants provides critically evaluated data on refractive indices of inorganic and organic liquids and their wavelength dependence (dispension). Part A contains the inorganic, organometallic, and organononmetallic liquids, and the binary liquid mixtures (about 900 pure substances and their mixtures). Part B contains data of more than 7600 organic liquids.
  • Short: IV/16 Title: Surface tension of pure liquids and binary mixtures Author: Wohlfarth, Ch.; Wohlfarth, B. Editor: Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: IV/16 Year: 1997 Keyword: organic compounds; surface tension; liquids; mixtures ISBN: 3-540-63276-X ISBN: 978-3-540-63276-4 Internet Resource: DOI:10.1007/b60566 RefComment: VII, 439 pages.
  • Short: IV/20B Title: Vapor Pressure and Antoine Coefficients for Oxygen Containing Organic Compounds Author: Dykyj, J.; Svoboda, J.; Wilhoit, R.C.; Frenkel, M.; Hall, K.R. Editor: Hall, K.R. Source: Landolt-Börnstein, New Series Volume: IV/20B Year: 2000 Keyword: organic compounds; vapor pressure ISBN: 3-540-64968-9 ISBN: 978-3-540-64968-7 Internet Resource: DOI:10.1007/b71424 RefComment: VII, 320 pages.
  • {} {uni_hamburg

安全信息

GHS Symbol
WGK Germany2
Hazard statements
  • H226 Flammable liquid and vapour 易燃液体和蒸气
  • H314 Causes severe skin burns and eye damage 导致严重的皮肤灼伤和眼睛损伤
  • H225 Highly flammable liquid and vapour 高度易燃液体和蒸气
  • H319 Causes serious eye irritation 严重刺激眼睛
Personal Protective Equipment Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
Hazard Codes F,C
RTECSGQ3500000
Precautionary statements
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
  • P362 Take off contaminated clothing and wash before reuse. 脱掉污染的衣服，清洗后方可重新使用
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P210 Keep away from heat/sparks/open flames/hot surfaces. — No smoking. 远离热源/火花/明火/热的表面。——禁止吸烟。
  • P310 Immediately call a POISON CENTER or doctor/physician. 立即呼救解毒中心或医生/医师。
  • P280 Wear protective gloves/protective clothing/eye protection/face protection. 戴防护手套/防护服/眼睛的保护物/面部保护物。
  • P305+P351+P338
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P332+P313
  • P240 Ground/bond container and receiving equipment. 与地面接触/连接集装箱和接受设备。
  • P370+P378
  • P303+P361+P353
  • P233 Keep container tightly closed. ?保持容器密闭。
Signal word
Safety Statements
  • S26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 眼睛接触后，立即用大量水冲洗并征求医生意见；
  • S36/37/39 Wear suitable protective clothing, gloves and eye/face protection 穿戴适当的防护服、手套和眼睛/面保护；
  • S45 In case of accident or if you feel unwell seek medical advice immediately (show the label where possible) 发生事故时或感觉不适时，立即求医（可能时出示标签）；
  • S16 Keep away from sources of ignition - No smoking 远离火源，禁止吸烟；
Risk Statements
  • R11 Highly flammable 非常易燃
  • R36 Irritating to eyes 刺激眼睛
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
  • R34 Causes burns 会导致灼伤
Packing GroupII
UN Number
Hazard Class3
Storage condition Flammables area
Warnings 危化品目录(2015) 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Administration onto the skin
SPECIES OBSERVED        : Rodent - guinea pig
DOSE/DURATION           : >5 gm/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   FCTXAV Food and Cosmetics Toxicology.  (London, UK)  V.1-19, 1963-81.  For
   publisher information, see FCTOD7.  Volume(issue)/page/year: 19,115,1981

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 3 gm/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   JIHTAB Journal of Industrial Hygiene and Toxicology.  (Cambridge, MA)
   V.18-31, 1936-49.  For publisher information, see AEHLAU.
   Volume(issue)/page/year: 26,269,1944

Restrict 危险品

其他信息

  • 海关编码:29161980
  • 外观性质:水白色液体或固体，有特殊辛辣气味。
  • Sigma Aldrich:623-70-1(sigmaaldrich)
  • 用途一:GB 2760--1997规定为允许使用的食品用香料。主要用于配制果酒类香精。
  • 方法一:由巴豆酸与乙醇在浓硫酸存在下酯化而成。
  • MOL 文件:623-70-1.mol
  • 巴豆酸乙酯价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 C0418 巴豆酸乙酯 Ethyl Crotonate 500ML 870元 2014/06/02 C0418 巴豆酸乙酯 Ethyl Crotonate 25ML 121元 2010/06/21 161385000 巴豆酸乙酯 trans-Ethyl crotonate 96% 500 GR 1466元
  • MSDS 信息:丁烯酸乙酯(623-70-1).msds
  • 方法二:由巴豆酸与乙醇酯化而得。
  • TCI Shanghai:巴豆酸乙酯 Ethyl Crotonate,>;98.0%(GC)(623-70-1)
  • Acros Organics:反式丁烯酸乙酯 trans-Ethyl crotonate, 96%(623-70-1)
  • 食品添加剂最大允许使用量最大允许残留量标准:添加剂中文名称 允许使用该种添加剂的食品中文名称 添加剂功能 最大允许使用量（g/kg） 最大允许残留量（g/kg） 反式-2-丁烯酸乙酯 食品 食品用香料 用于配制香精的各香料成分不得超过在GB 2760中的最大允许使用量和最大允许残留量
  • 下游产品:4-氯喹哪啶 --> 恶霉灵 --> 抗蚜威 --> 甲基丁二酸 --> 乙烯菌核利 --> 4-羟基-2-甲基喹啉
  • 蒸气密度:3.9 (vs air)
  • Alfa Aesar:反式丁烯酸乙酯,98% Ethyl crotonate, 98%(623-70-1)
  • FEMA:3486
  • 图谱信息:巴豆酸乙酯(623-70-1)核磁图( 13 CNMR) 巴豆酸乙酯(623-70-1)Raman光谱 巴豆酸乙酯(623-70-1)红外图谱(IR1) 巴豆酸乙酯(623-70-1)红外图谱(IR2) 巴豆酸乙酯(623-70-1)质谱(MS)
  • 用途二:用作有机合成中间体、溶剂、油漆软化剂。

系列性分类

  1. Application Areas 应用领域分类
  2. Flavors and Fragrances 香精香料
  3. Kosher Certified Products - Flavors and Fragrances
  4. E-H - Kosher Certified Products
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Carbonyl Compounds 羰基化合物
  5. Esters - Carbonyl Compounds
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Carbonyl Compounds 羰基化合物
  5. Esters - Carbonyl Compounds
  6. C6 to C7 - Esters
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Carbonyl Compounds 羰基化合物
  5. Esters
  6. C2 to C5

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