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CAS 691-93-0

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1-Methylethyl 3-chloropropanoate

Description:
1-Methylethyl 3-chloropropanoate, also known by its CAS number 691-93-0, is an organic compound characterized by its ester functional group. It features a propanoate backbone with a chlorine atom substituted at the third carbon position and a branched alkyl group at the first carbon. This compound is typically a colorless to pale yellow liquid with a fruity odor, indicative of its ester nature. It is soluble in organic solvents but has limited solubility in water due to its hydrophobic alkyl chains. The compound is used in various applications, including as a flavoring agent and in organic synthesis. Its reactivity is influenced by the presence of the chlorine atom, which can participate in nucleophilic substitution reactions. Safety data indicates that it should be handled with care, as it may pose health risks if inhaled or ingested. Proper storage in a cool, dry place away from light is recommended to maintain its stability and integrity.
Formula:C6H11ClO2
InChI:InChI=1S/C6H11ClO2/c1-5(2)9-6(8)3-4-7/h5H,3-4H2,1-2H3
InChI key:InChIKey=YPAMSUOJRFMSIA-UHFFFAOYSA-N
SMILES:O(C(CCCl)=O)C(C)C
Synonyms:
  • 1-Methylethyl 3-chloropropanoate
  • Isopropyl 3-chloropropanoate
  • NSC 133458
  • Propan-2-Yl 3-Chloropropanoate
  • Propanoic acid, 3-chloro-, 1-methylethyl ester
  • Propionic acid, 3-chloro-, isopropyl ester
  • Isopropyl 3-chloropropionate
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