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CAS 10250-48-3

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Butanoic acid, 3,3-dimethyl-, methyl ester

Description:
Butanoic acid, 3,3-dimethyl-, methyl ester, also known as methyl 3,3-dimethylbutanoate, is an ester derived from butanoic acid and methanol. It features a branched alkyl chain, which contributes to its unique properties. This compound is typically a colorless to pale yellow liquid with a fruity odor, characteristic of many esters. It is soluble in organic solvents and exhibits low solubility in water due to its hydrophobic alkyl groups. The presence of the ester functional group imparts reactivity, allowing it to participate in various chemical reactions, such as hydrolysis and transesterification. Its boiling point and melting point are influenced by the molecular structure, particularly the branching of the carbon chain. This compound is often used in flavoring and fragrance applications, as well as in organic synthesis. Safety data indicates that it should be handled with care, as it may cause irritation upon contact with skin or eyes. Overall, its unique structure and properties make it a valuable compound in both industrial and laboratory settings.
Formula:C7H14O2
InChI:InChI=1S/C7H14O2/c1-7(2,3)5-6(8)9-4/h5H2,1-4H3
InChI key:InChIKey=DXBOTVWRXLQVMG-UHFFFAOYSA-N
SMILES:C(C(C)(C)C)C(OC)=O
Synonyms:
  • Butanoic acid, 3,3-dimethyl-, methyl ester
  • Butyric acid, 3,3-dimethyl-, methyl ester
  • Methyl 3,3-Dimethylbutanoate
  • Methyl 3,3-Dimethylbutyrate
  • tert-Butylacetic acid methyl ester~Methyl 3,3-dimethylbutyrate
  • Methyl tert-butylacetate
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