Ethyl Chrysanthemate 第一菊酸乙酯

CAS 97-41-6 MFCD00001304

化学结构图

97-41-6
SMILES: CCOC(=O)C1C(C=C(C)C)C1(C)C

化学属性

Mol. FormulaC12H20O2
Mol. Weight196.29
Density0.906
Boiling Point112
Refractive index1.4580 to 1.4620
Flash Point84°C(lit.)
TSCAYes
Appearance D (±)顺反菊酸乙酯是无色或淡黄色油状液体，b.p.112℃/1.33 kpa，n 1.460，相对密度 0.906，f.p.184℉(84℃)。不溶于水，溶于乙醇、甲醇、丙酮、苯、甲苯等有机溶剂。 20

别名和识别编码

Chemical NameEthyl Chrysanthemate
MDL NumberMFCD00001304
CAS Number97-41-6
Synonym 2,2-dimethyl-3-(2-methyl-1-propenyl)-cyclopropanecarboxylicaciethylester 2,2-dimethyl-3-(2-methylpropenyl)cyclopropanecarboxylicacidethylester 2,2-二甲基-3-(2-甲基-1-丙烯基)环丙烷-1-羧酸乙酯 除虫菊一羧酸乙酯 2,2-二甲基-3-(2-甲基-1-丙烯基)环丙烷羧酸乙酯 2,2ˊ-二甲基-3-异丁烯基环丙烷-1-羧酸乙酯 2-二甲基-3-(2-甲基-1-丙烯基)环丙烷羧酸乙酯 CHRYSANTHEMUM MONOCARBOXYLIC ACID ETHYL ESTER Cyclopropanecarbo Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methylpropenyl)-, ethyl ETHYL CHRYSANTHEMATE ETHYL CHRYSANTHEMUMATE Ethyl 2,2-dimethyl-3-(1-isobutenyl)cyclopropane-1-carboxylate Ethyl Chrysanthemate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
PubChem Substance ID7334
Beilstein Registry Number2045740
EC Number202-579-7
Alfabeta NameETHYLDIMETHYLMETHYLPROPENYLCYCLOPROPANECARBOXYLATE 223211()--------,
Chemical Name Translation第一菊酸乙酯
Reaxys-RN2045740
InChIKeyVIMXTGUGWLAOFZ-UHFFFAOYSA-N
LabNetwork Molecule IDLN00178703
InChIInChI=1S/C12H20O2/c1-6-14-11(13)10-9(7-8(2)3)12(10,4)5/h7,9-10H,6H2,1-5H3
Canonical SMILESO=C(C1C(C)(C)C1/C=C(C)\C)OCC
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分类

  • {SNA} Alphabetical Listings, E-F, Flavors and Fragrances
  • {SNA} Building Blocks, C12 to C63, Carbonyl Compounds, Chemical Synthesis, Esters, Organic Building Blocks

相关文献及参考

  • Beilstein:9(4)170

安全信息

WGK Germany2
RTECSGZ1727000
Personal Protective Equipment Eyeshields, Gloves, half-mask respirator (US), multi-purpose combination respirator cartridge (US) Eyeshields, Gloves, half-mask respirator (EU), half-mask respirator (US), multi-purpose combination respirator cartridge (US)
Safety Statements
Risk Statements
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
Warnings IRRITANT
GHS Symbol
Precautionary statements
  • 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。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
  • P312 Call a POISON CENTER or doctor/physician if you feel unwell. 如果你感觉不适，呼叫解毒中心或医生/医师。
  • 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。
  • P370+P378
  • P262 Do not get in eyes, on skin, or on clothing. 不要接触眼睛，皮肤或衣服。
Signal word
Hazard statements
  • H227 Combustible liquid 可燃液体
Storage condition +4°C 2-8°C 4℃ 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 2600 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   GISAAA Gigiena i Sanitariya.  For English translation, see HYSAAV.  (V/O
   Mezhdunarodnaya Kniga, 113095 Moscow, USSR)  V.1-    1936-
   Volume(issue)/page/year: 51(1),16,1986

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Administration onto the skin
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : >5 gm/kg
TOXIC EFFECTS :
   Behavioral - somnolence (general depressed activity)
   Behavioral - convulsions or effect on seizure threshold
   Behavioral - excitement
REFERENCE :
   GISAAA Gigiena i Sanitariya.  For English translation, see HYSAAV.  (V/O
   Mezhdunarodnaya Kniga, 113095 Moscow, USSR)  V.1-    1936-
   Volume(issue)/page/year: 51(1),16,1986

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 2600 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   GISAAA Gigiena i Sanitariya.  For English translation, see HYSAAV.  (V/O
   Mezhdunarodnaya Kniga, 113095 Moscow, USSR)  V.1-    1936-
   Volume(issue)/page/year: 51(1),16,1986

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - guinea pig
DOSE/DURATION           : 1900 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   GISAAA Gigiena i Sanitariya.  For English translation, see HYSAAV.  (V/O
   Mezhdunarodnaya Kniga, 113095 Moscow, USSR)  V.1-    1936-
   Volume(issue)/page/year: 51(1),16,1986

TYPE OF TEST            : Gene conversion and mitotic recombination
TEST SYSTEM             : Yeast - Saccharomyces cerevisiae
DOSE/DURATION           : 1 pph
REFERENCE :
   NTIS** National Technical Information Service.  (Springfield, VA 22161)
   Formerly U.S. Clearinghouse for Scientific & Technical Information.
   Volume(issue)/page/year: PB85-193761

其他信息

  • 方法一:重氮乙酸酯法 在反应瓶中加入2，5-二甲基-2，4-己二烯，以二烯用量59/6的铜粉为催化剂，再加入少许对苯二酚为抗氧化剂，在氮气下加热至120℃，在快速搅拌下，滴加重氮乙酸甲酯溶液，滴加时有N 2 放出，控制反应速度，滴加完后再继续搅拌0.5h，冷却，蒸馏除去过剩的二烯，再提高真空度，蒸出菊酸甲酯，回收的二烯可循环使用。 ，用重氮乙酸乙酯代替重氮乙酸甲酯得到菊酸乙酯。
  • MSDS 信息:Ethyl 2,2-dimethyl-3-(1-isobutenyl)cyclopropane-1-carboxylate(97-41-6).msds
  • TCI Shanghai:2,2-二甲基-3-(2-甲基-1-丙烯基)环丙烷羧酸乙酯 2,2-Dimethyl-3-(2-methyl-1-propenyl)cyclopropane Carboxylic Acid Ethyl Ester,>;95.0%(GC)(97-41-6)
  • Alfa Aesar:Ethyl chrysanthemumate, cis + trans, 95%(97-41-6)
  • 用途二:菊酸乙酯与菊酯甲酯一样，也是重要的拟除虫菊酯类重要中间体，可以制备多种卫生用拟除虫菊酯。
  • 上游原料:乙二醇 --> 铜 --> 1,4-苯二酚 --> 乙酸甲酯 --> 菊酸甲酯 --> 重氮乙酸 --> 2,5-二甲基-2,4-己二烯 --> 重氮乙酸乙酯
  • 菊酸乙酯价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 D2112 2,2-二甲基-3-(2-甲基-1-丙烯基)环丙烷羧酸乙酯 Ethyl 2,2-Dimethyl-3-(2-methyl-1-propenyl)cyclopropane-1-carboxylate 25G 341元 2010/06/21 156060250 菊酸乙酯 Ethyl chrysanthemate 95%, mixture of cis and trans 25 GR 562元 2010/06/21 156065000 菊酸乙酯 Ethyl chrysanthemate 95%, mixture of cis and trans 500 GR 3890元
  • 用途一:主要用于丙烯氯菊酯、胺菊酯、苯醚菊酯、丙炔菊酯等杀虫剂的关键中间体
  • Sigma Aldrich:97-41-6(sigmaaldrich)
  • MOL 文件:97-41-6.mol
  • Acros Organics:萄酸乙酯 Ethyl chrysanthemumate, mixture of cis and trans, 95%(97-41-6)
  • 下游产品:胺菊酯 --> 右旋烯丙菊酯 --> 4-甲氧甲基苄基菊酸酯 --> 菊甲酸 --> (±)反式菊酸

系列性分类

  1. Application Areas 应用领域分类
  2. Flavors and Fragrances 香精香料
  3. Alphabetical Listings - Flavors and Fragrances
  4. E-F - Alphabetical Listings
  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. C12 to C63 - 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 - Carbonyl Compounds
  6. C12 to C63 - Esters
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Chemicals by Class 化学分类法
  4. Simple 3-Membered Ring Compounds 简单三元环化合物
  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. C10 to C11

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