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CAS 40853-55-2

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1-Hexanol, 5-methyl-2-(1-methylethyl)-, 1-acetate

Description:
1-Hexanol, 5-methyl-2-(1-methylethyl)-, 1-acetate, with CAS number 40853-55-2, is an organic compound classified as an ester. It is derived from the reaction of 1-hexanol and acetic acid, featuring a branched alkyl chain that contributes to its unique properties. This compound typically exhibits a pleasant, fruity odor, making it useful in flavoring and fragrance applications. It is a colorless liquid at room temperature and is generally insoluble in water but soluble in organic solvents. The presence of both the hexyl and isopropyl groups in its structure influences its volatility and boiling point. Additionally, 1-Hexanol, 5-methyl-2-(1-methylethyl)-, 1-acetate may have applications in the synthesis of other chemical compounds and in various industrial processes. As with many esters, it may also be involved in reactions such as hydrolysis or transesterification under appropriate conditions. Safety data should be consulted for handling and storage, as with all chemical substances.
Formula:C12H24O2
InChI:InChI=1S/C12H24O2/c1-9(2)6-7-12(10(3)4)8-14-11(5)13/h9-10,12H,6-8H2,1-5H3
InChI key:InChIKey=QLFSGYMLVZGFJT-UHFFFAOYSA-N
SMILES:C(CCC(C)C)(COC(C)=O)C(C)C
Synonyms:
  • 1-Hexanol, 2-isopropyl-5-methyl-, acetate
  • 1-Hexanol, 5-methyl-2-(1-methylethyl)-, 1-acetate
  • 1-Hexanol, 5-methyl-2-(1-methylethyl)-, acetate
  • 2-Isopropyl-5-methylhexyl acetate
  • 5-Methyl-2-(Propan-2-Yl)Hexyl Acetate
  • 5-Methylhexyl 3-Methylbutanoate
  • Acetic acid 2-isopropyl-5-methylhexyl ester
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