4-Methylvaleraldehyde 4-甲基戊醛

CAS 1119-16-0 MFCD00871507

化学结构图

1119-16-0
SMILES: CC(C)CCC=O

化学属性

Mol. FormulaC6H12O
Mol. Weight100

别名和识别编码

Chemical Name4-Methylvaleraldehyde
CAS Number1119-16-0
Synonym 4-Methylpentan-1-one 4-Methylpentanal Isohexanal Isocaproaldehyde 4-Methyl-1-pentanal ?-Methylvaleraldehyde Pentanal, 4-methyl- 4-Methyl valeraldehyde 4-Methylvaleraldehyde
Chemical Name Translation4-甲基戊醛
Wiswesser Line NotationVH2Y1&1
Beilstein Registry Number0506059
InChIKeyJGEGJYXHCFUMJF-UHFFFAOYSA-N
LabNetwork Molecule IDLN01300363
PubChem Substance ID129
InChIInChI=1S/C6H12O/c1-6(2)4-3-5-7/h5-6H,3-4H2,1-2H3
MDL Number
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分类

  • Aliphatics
  • Intermediates

产品应用

  • An intermediate used in the synthesis of Pregabalin (P704800) and related compounds.

相关文献及参考

  • Posadas, I., et al.: Br. J. Pharmacol., 142, 331 (2004),

安全信息

RTECSYV4200000 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Administration onto the skin
SPECIES OBSERVED        : Rodent - rabbit
DOSE/DURATION           : 4460 uL/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   AIHAAP American Industrial Hygiene Association Journal.  (AIHA, 475 Wolf
   Ledges Pkwy., Akron, OH 44311)  V.19-    1958-  Volume(issue)/page/year:
   23,95,1962

TYPE OF TEST            : LCLo - Lowest published lethal concentration
ROUTE OF EXPOSURE       : Inhalation
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 16000 ppm/4H
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   AIHAAP American Industrial Hygiene Association Journal.  (AIHA, 475 Wolf
   Ledges Pkwy., Akron, OH 44311)  V.19-    1958-  Volume(issue)/page/year:
   23,95,1962

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 5660 uL/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   AIHAAP American Industrial Hygiene Association Journal.  (AIHA, 475 Wolf
   Ledges Pkwy., Akron, OH 44311)  V.19-    1958-  Volume(issue)/page/year:
   23,95,1962

系列性分类

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