Methyl tiglate (E)-2-甲基丁-2-烯酸甲酯

CAS 6622-76-0 MFCD00016654

化学结构图

6622-76-0
SMILES: C/C=C(\C)C(=O)OC

化学属性

Mol. FormulaC6H10O2
Mol. Weight114.14
Density0.950
Refractive index1.4350 to 1.4390
Flash Point39°C(lit.)
TSCAYes
Boiling Point137-138 °C at 758 mmHg
Melting Point37.22 °C

别名和识别编码

Chemical NameMethyl Tiglate
Synonym Methyl (2e)-2-methylbut-2-enoate {LY} Methyl (2e)-2-methylbut-2-enoate {} {LY} Methyl (2e)-2-methylbut-2-enoate {} {} {LY} Methyl (2e)-2-methylbut-2-enoate {} {} {} {LY} Methyl (2e)-2-methylbut-2-enoate {} {} {} {} {LY} Methyl (2e)-2-methylbut-2-enoate {} {} {} {} {} {LY} Methyl (2e)-2-methylbut-2-enoate {} {} {} {} {} {} {LY} Methyl (2e)-2-methylbut-2-enoate {} {} {} {} {} {} {} {LY} Methyl (2e)-2-methylbut-2-enoate {} {} {} {} {} {} {} {} {LY} Methyl (2e)-2-methylbut-2-enoate {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {LY} Methyl (2e)-2-methylbut-2-enoate {} {} {} {} {} {} {} {} {} {} {LY} Methyl (2e)-2-methylbut-2-enoate {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl (2e)-2-methylbut-2-enoate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl (2e)-2-methylbut-2-enoate {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl (2e)-2-methylbut-2-enoate {} {} {} {} {} {} {} {} {} {} {} {
MDL NumberMFCD00016654
CAS Number6622-76-0
EC Number229-575-8
Merck Number14,9433
Beilstein Registry Number1720455
PubChem Substance ID5323652
Chemical Name Translation(E)-2-甲基丁-2-烯酸甲酯
Reaxys-RN1720455
InChIKeyYYJWBYNQJLBIGS-SNAWJCMRSA-N
InChIInChI=1S/C6H10O2/c1-4-5(2)6(7)8-3/h4H,1-3H3/b5-4+
Canonical SMILESC/C=C(\C)/C(=O)OC
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分类

  • {uni_hamburg} no charge; ester; 1fragment
  • {SNA} Building Blocks, C6 to C7, Carbonyl Compounds, Chemical Synthesis, Esters, Organic Building Blocks

相关文献及参考

  • Short: IV/8H Title: Densities of Esters and Ethers Author: Frenkel, M.; Hong, X.; Wilhoit, R.C.; Hall, K.R. Editor: Hall, K.R.; Marsh, K.N. Source: Landolt-Börnstein, New Series Volume: IV/8H Year: 2001 Keyword: organic compounds; density; liquids ISBN: 3-540-41035-X ISBN: 978-3-540-41035-5 Internet Resource: DOI:10.1007/b76770 RefComment: XI, 484 pages, with CD-ROM, Hardcover
  • -Lithiation and alkylation with allylic rearrangement with 1-iodo-3-trimethylsilylpropane has been used in a versatile cyclopentanone synthesis: J. Org. Chem., 49, 1140 (1984); Org. Synth. Coll., 8,
  • Short: III/35E Title: Nuclear Magnetic Resonance (NMR) Data: Chemical Shifts for Oxygen-17 Author: Duddeck, H.; Toth, G.; Simon, A. Editor: Gupta, R.R.; Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: III/35E Year: 2002 Keyword: Alipathic and Aromatic hydrocarbons; Coupling constant j; Nuclear Magnetic Resonance; chemical shifts δ ISBN: 3-540-42501-2 ISBN: 978-3-540-42501-4 Internet Resource: DOI:10.1007/b92953 RefComment: VII, 230 pages. With CD-ROM., Hardcover Abstract: This volume provides a comprehensive and evaluated compilation of nuclear magnetic resonance data. Chemical shifts and coupling constants of boron-11 and phosphorus-31 (subvol. A), fluorine-19 and nitrogen-15 (subvol. B), hydrogen-1 (subvol. C), carbon-13 (subvol. D), and oxygen-17 (subvol. E) compounds are tabulated together with the gross- and structure formulas and the most readily available solvents. Due to the large amount of the data merely chemical shifts are presented in the printed versions, and all the data, chemical shifts and coupling constants are provided on CD-ROM's.
  • Short: EINECS Title: EINECS (European Inventory of Existing Commercial Chemical Substances) Source: Official Journal of the European Communities Volume: C 146 A (15.06.1990) Page: 1 Year: 1990 Internet Resource: http://ecb.jrc.ec.europa.eu/esis/index.php?PGM=ein Publish_Date: 199

安全信息

RTECSEM9254600
Packing GroupIII
UN Number 3272 UN 3272 3/PG 3 UN3272
Risk Statements
  • R10 Flammable 易燃
Safety Statements
  • S16 Keep away from sources of ignition - No smoking 远离火源，禁止吸烟；
  • S60 This material and its container must be disposed of as hazardous waste 该物质及其容器必须作为危险废物处置；
  • S43 In case of fire use ... (indicate in the space the precise type of fire-fighting equipment. If water increases the risk add -?Never use water) 着火时使用（指明具体的消防器材种类，如果用水增加危险，注明“禁止用水”
GHS Symbol
WGK Germany2
Hazard statements
  • H226 Flammable liquid and vapour 易燃液体和蒸气
Personal Protective Equipment Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
Signal word Warning
Hazard Class3
Storage condition Store at room temperature {LY} Store at room temperature {} {LY} Store at room temperature {} {} {LY} Store at room temperature {} {} {} {LY} Store at room temperature {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
Precautionary statements
  • 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。
  • P233 Keep container tightly closed. ?保持容器密闭。
  • P240 Ground/bond container and receiving equipment. 与地面接触/连接集装箱和接受设备。
  • P241 Use explosion-proof electrical/ventilating/lighting/…/equipment. 使用防爆电气/通风/照明/ .../设备。
  • P241+P242+P243
  • P242 Use only non-sparking tools. 只能使用无火花工具。
  • P243 Take precautionary measures against static discharge. 采取预防措施，防止静电放电。
  • 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。
  • P303+P361+P353
  • P370+P378
  • P403+P235
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 5 gm/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   FCTOD7 Food and Chemical Toxicology.  (Pergamon Press Inc., Maxwell House,
   Fairview Park, Elmsford, NY 10523)  V.20-    1982- Volume(issue)/page/year:
   26,387,1988

TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Administration onto the skin
SPECIES OBSERVED        : Rodent - rabbit
DOSE/DURATION           : 5 gm/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   FCTOD7 Food and Chemical Toxicology.  (Pergamon Press Inc., Maxwell House,
   Fairview Park, Elmsford, NY 10523)  V.20-    1982- Volume(issue)/page/year:
   26,387,1988

其他信息

  • Acros Organics:Methyl tiglate, 98%(6622-76-0)
  • 惕各酸甲酯价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 T0248 惕各酸甲酯 Methyl Tiglate 500ML 7090元 2014/06/02 T0248 惕各酸甲酯 Methyl Tiglate 25ML 789元 2010/05/25 A11964 巴豆酸甲酯, 98% Methyl tiglate, 98% 250g 6174元
  • MSDS 信息:Methyl 2-methylcrotonate(6622-76-0).msds
  • MOL 文件:6622-76-0.mol
  • Alfa Aesar:巴豆酸甲酯,98% Methyl tiglate, 98%(6622-76-0)
  • TCI Shanghai:(E)-2-甲基-2-丁烯酸甲酯 Methyl Tiglate,>;98.0%(GC)(6622-76-0)
  • 图谱信息:惕各酸甲酯(6622-76-0)质谱(MS) 惕各酸甲酯(6622-76-0)Raman光谱 惕各酸甲酯(6622-76-0)红外图谱(IR1) 惕各酸甲酯(6622-76-0)核磁图( 1 HNMR) 惕各酸甲酯(6622-76-0)核磁图( 13 CNMR)

系列性分类

  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

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