3-Methyl-2-Butenyl Benzoate 苯甲酸3-甲基-2-丁烯酯

CAS 5205-11-8 MFCD00036570

化学结构图

5205-11-8
SMILES: CC(C)=CCOC(=O)c1ccccc1

化学属性

Mol. FormulaC12H14O2
Mol. Weight190.24
Refractive index1.5190 to 1.5210
Boiling Point107°C/2.3mmHg
Flash Point134°C(lit.)

别名和识别编码

Chemical Name3-Methyl-2-Butenyl Benzoate
MDL NumberMFCD00036570
CAS Number5205-11-8
Synonym 3-Methylbut-2-en-1-yl benzoate {LY} 3-Methylbut-2-en-1-yl benzoate {} {LY} 3-Methylbut-2-en-1-yl benzoate {} {} {LY} 3-Methylbut-2-en-1-yl benzoate {} {} {} {LY} 3-Methylbut-2-en-1-yl benzoate {} {} {} {} {} {} {} {} {LY} 3-Methylbut-2-en-1-yl benzoate {} {} {} {} {} {LY} 3-Methylbut-2-en-1-yl benzoate {} {} {} {} {} {} {LY} 3-Methylbut-2-en-1-yl benzoate {} {} {} {} {} {} {} {LY} 3-Methylbut-2-en-1-yl benzoate {} {} {} {} {} {} {} {} {LY} 3-Methylbut-2-en-1-yl benzoate {} {} {} {} {} {} {} {} {} {LY} 3-Methylbut-2-en-1-yl benzoate {} {} {} {} {} {} {} {} {} {} {LY} 3-Methylbut-2-en-1-yl benzoate {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Methylbut-2-en-1-yl benzoate {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Methylbut-2-en-1-yl benzoate {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Methylbut-2-en-1-yl benzoate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Methylbut-2-en-1-yl benzoate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Methylbut-2-en-1-yl benzoa
Reaxys-RN2046710
PubChem Substance ID87564329
Chemical Name Translation苯甲酸3-甲基-2-丁烯酯
Beilstein Registry Number2046710
LabNetwork Molecule IDLN01740485
Canonical SMILESCC(=CCOC(=O)C1=CC=CC=C1)C
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分类

  • {SNA} Building Blocks, C12 to C63, Carbonyl Compounds, Chemical Synthesis, Esters, Organic Building Blocks

相关文献及参考

安全信息

RTECSEM9473900
Signal word
Hazard statements
  • H303 May be harmfully swallowed 吞食可能有害
Precautionary statements
  • P273 Avoid release to the environment. 避免释放到环境中。
  • 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。
  • P332+P313 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
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:
   20,819,1982

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 4700 mg/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:
   20,819,1982

GHS Symbol
WGK Germany2
Safety Statements
  • S61 Avoid release to the environment. Refer to special instructions/safety data sheet 避免释放到环境中，参考特别指示/安全收据说明书；
Hazard Codes N
Risk Statements
  • R50 Very toxic to aquatic organisms 对水生生物极毒
Storage condition

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. C12 to C63 - Esters

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