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CAS 58430-94-7

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3,5,5-Trimethylhexyl acetate

Description:
3,5,5-Trimethylhexyl acetate, with the CAS number 58430-94-7, is an organic compound classified as an ester. It is derived from the reaction of acetic acid and 3,5,5-trimethylhexanol. This compound typically appears as a colorless to pale yellow liquid with a fruity odor, making it useful in flavoring and fragrance applications. Its molecular structure features a branched alkyl chain, which contributes to its unique properties. 3,5,5-Trimethylhexyl acetate is known for its moderate volatility and relatively low solubility in water, but it is soluble in organic solvents such as ethanol and ether. The compound is stable under normal conditions but should be stored away from strong oxidizing agents. In terms of safety, it is advisable to handle it with care, as it may cause irritation to the skin and eyes upon contact. Overall, 3,5,5-trimethylhexyl acetate is valued in various industrial applications, particularly in the production of fragrances and flavorings.
Formula:C11H22O2
InChI:InChI=1S/C11H22O2/c1-9(8-11(3,4)5)6-7-13-10(2)12/h9H,6-8H2,1-5H3
InChI key:InChIKey=DGKXDLCVQSQVBC-UHFFFAOYSA-N
SMILES:C(CC(C)(C)C)(CCOC(C)=O)C
Synonyms:
  • 1-Hexanol, 3,5,5-trimethyl-, 1-acetate
  • 1-Hexanol, 3,5,5-trimethyl-, acetate
  • 3,5,5-Trimethylhexyl Acetate
  • Acetic acid 3,5,5-trimethyl ester
  • Neononyl acetate
  • Neononylacetat
  • Vanoris
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