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CAS 590-02-3

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Butyl chloroacetate

Description:
Butyl chloroacetate, with the CAS number 590-02-3, is an organic compound classified as an ester. It is formed from the reaction of butanol and chloroacetic acid. This colorless to pale yellow liquid is characterized by a fruity odor, making it useful in flavoring and fragrance applications. It has a moderate boiling point and is relatively soluble in organic solvents, while being less soluble in water due to its hydrophobic butyl group. Butyl chloroacetate is known for its reactivity, particularly in nucleophilic substitution reactions, where the chlorine atom can be replaced by various nucleophiles. It is important to handle this compound with care, as it can be irritating to the skin, eyes, and respiratory system. Additionally, it should be stored in a cool, well-ventilated area away from incompatible substances. Overall, butyl chloroacetate serves as a valuable intermediate in organic synthesis and industrial applications, particularly in the production of pharmaceuticals and agrochemicals.
Formula:C6H11ClO2
InChI:InChI=1S/C6H11ClO2/c1-2-3-4-9-6(8)5-7/h2-5H2,1H3
InChI key:InChIKey=YJRGMUWRPCPLNH-UHFFFAOYSA-N
SMILES:C(OCCCC)(CCl)=O
Synonyms:
  • Acetic acid, 2-chloro-, butyl ester
  • Acetic acid, chloro-, butyl ester
  • Butyl 2-Chloroacetate
  • Butyl monochloroacetate
  • Chloroacetic acid butyl ester
  • Chloroacetic acid n-butyl ester
  • NSC 1212
  • n-Butyl chloroacetate
  • Butyl chloroacetate
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