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CAS 20651-69-8

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Benzoic acid, 4-butyl-, methyl ester

Description:
Benzoic acid, 4-butyl-, methyl ester, also known by its CAS number 20651-69-8, is an organic compound that belongs to the class of benzoate esters. It is characterized by the presence of a benzoic acid moiety with a butyl group attached to the para position of the aromatic ring and a methyl ester functional group. This compound typically appears as a colorless to pale yellow liquid with a pleasant odor. It is moderately soluble in water and more soluble in organic solvents such as ethanol and ether. The compound exhibits properties typical of esters, including volatility and the ability to undergo hydrolysis in the presence of water or acids. Its applications can range from use as a flavoring agent to potential roles in the synthesis of other organic compounds. Safety data indicates that it should be handled with care, as it may cause irritation to the skin and eyes. Overall, benzoic acid, 4-butyl-, methyl ester is a versatile chemical with various industrial and laboratory applications.
Formula:C12H16O2
InChI:InChI=1S/C12H16O2/c1-3-4-5-10-6-8-11(9-7-10)12(13)14-2/h6-9H,3-5H2,1-2H3
InChI key:InChIKey=XJRYQLPELPLPHZ-UHFFFAOYSA-N
SMILES:C(OC)(=O)C1=CC=C(CCCC)C=C1
Synonyms:
  • Benzoic acid, 4-butyl-, methyl ester
  • Benzoic acid, p-butyl-, methyl ester
  • Methyl p-butylbenzoate
  • Methyl 4-butylbenzoate
  • Methyl 4-butylbenzoate
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