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CAS 88164-61-8

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2-Pentyl hexanoate

Description:
2-Pentyl hexanoate, with the CAS number 88164-61-8, is an ester formed from the reaction of pentanol and hexanoic acid. This compound typically exhibits a pleasant, fruity odor, making it useful in flavoring and fragrance applications. It is a colorless to pale yellow liquid at room temperature and is generally insoluble in water but soluble in organic solvents. The molecular structure features a pentyl group attached to a hexanoate moiety, contributing to its unique properties. 2-Pentyl hexanoate has a moderate boiling point and a relatively low vapor pressure, indicating that it can exist as a liquid under standard conditions. Its stability under normal conditions makes it suitable for various industrial applications, including use in food additives and cosmetic formulations. Additionally, like many esters, it may undergo hydrolysis in the presence of water and acids or bases, leading to the regeneration of the parent alcohol and acid. Safety data should be consulted for handling and exposure guidelines, as with any chemical substance.
Formula:C11H22O2
InChI:InChI=1/C11H22O2/c1-4-6-7-9-11(12)13-10(3)8-5-2/h10H,4-9H2,1-3H3
InChI key:InChIKey=LDSKHRQOZJYTFX-UHFFFAOYSA-N
SMILES:O(C(CCCCC)=O)C(CCC)C
Synonyms:
  • Hexanoic acid, 1-methylbutyl ester
  • Hexanoic acid, 1-methylbutyl ester
  • 1-Methylbutyl hexanoate
  • pentan-2-yl hexanoate
  • 2-Pentyl hexanoate
  • Isopentyl hexanoate
  • 2-Pentyl hexanoate
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