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CAS 5421-04-5

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Benzeneacetic acid, α-hydroxy-, 3-methylbutyl ester

Description:
Benzeneacetic acid, α-hydroxy-, 3-methylbutyl ester, also known by its CAS number 5421-04-5, is an organic compound characterized by its ester functional group derived from benzeneacetic acid and 3-methylbutanol. This compound typically appears as a colorless to pale yellow liquid with a pleasant odor. It is soluble in organic solvents, such as ethanol and ether, but has limited solubility in water due to its hydrophobic aromatic structure. The presence of the α-hydroxy group contributes to its reactivity, allowing for potential participation in various chemical reactions, including esterification and oxidation. This compound may be used in the synthesis of fragrances, flavoring agents, or as an intermediate in organic synthesis. Safety data indicates that it should be handled with care, as it may cause irritation to the skin and eyes. Proper storage in a cool, dry place away from incompatible materials is recommended to maintain its stability and integrity.
Formula:C13H18O3
InChI:InChI=1S/C13H18O3/c1-10(2)8-9-16-13(15)12(14)11-6-4-3-5-7-11/h3-7,10,12,14H,8-9H2,1-2H3
InChI key:InChIKey=KQQXUARABJGCMS-UHFFFAOYSA-N
SMILES:C(C(OCCC(C)C)=O)(O)C1=CC=CC=C1
Synonyms:
  • 3-Methylbutyl 2-hydroxy-2-phenylacetate
  • 3-Methylbutyl Hydroxy(Phenyl)Acetate
  • <span class="text-smallcaps">DL</span>-Mandelic acid isoamyl ester
  • Atractyl
  • Benzeneacetic acid, α-hydroxy-, 3-methylbutyl ester
  • DL-Mandelic acid isoamyl ester
  • Isoamyl mandelate
  • Isopentyl 2-Hydroxy-2-Phenyl-Acetate
  • Isopentyl alcohol, mandelate
  • Mandaverm
  • See more synonyms
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