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CAS 51755-85-2

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3-(Methylthio)hexyl acetate

Description:
3-(Methylthio)hexyl acetate is an organic compound characterized by its ester functional group, which is formed from the reaction of hexyl alcohol and acetic acid, with a methylthio group attached to the third carbon of the hexyl chain. This compound typically appears as a colorless to pale yellow liquid with a fruity odor, making it of interest in the flavor and fragrance industry. Its molecular structure contributes to its solubility in organic solvents while being less soluble in water due to the hydrophobic nature of the hexyl chain. The presence of the methylthio group imparts unique sensory properties, enhancing its application in various formulations. Additionally, 3-(Methylthio)hexyl acetate may exhibit moderate volatility and can be sensitive to heat and light, which can affect its stability. Safety data indicates that, like many esters, it should be handled with care, as it may cause irritation upon contact with skin or eyes. Proper storage in a cool, dry place away from incompatible substances is recommended to maintain its integrity.
Formula:C9H18O2S
InChI:InChI=1S/C9H18O2S/c1-4-5-9(12-3)6-7-11-8(2)10/h9H,4-7H2,1-3H3
InChI key:InChIKey=VIQXICKUKPVFRK-UHFFFAOYSA-N
SMILES:C(CCOC(C)=O)(CCC)SC
Synonyms:
  • 1-Hexanol, 3-(methylthio)-, 1-acetate
  • 1-Hexanol, 3-(methylthio)-, acetate
  • 3-(Methylsulfanyl)Hexyl Acetate
  • 3-(Methylthio)-1-hexyl acetate
  • 3-(Methylthio)hexyl acetate
  • FEMA No. 3789
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