CAS 116169-10-9: Methyl (3S)-3-methylhexanoate

Description:Methyl (3S)-3-methylhexanoate is an ester compound characterized by its fruity aroma, commonly associated with various natural flavors and fragrances. It is derived from the reaction of 3-methylhexanoic acid and methanol, resulting in a structure that features a branched alkyl chain. The "3S" designation indicates the specific stereochemistry at the chiral center, which can influence the compound's sensory properties and reactivity. This substance is typically a colorless to pale yellow liquid, exhibiting low solubility in water but good solubility in organic solvents. Its boiling point and melting point are consistent with those of similar esters, indicating moderate volatility. Methyl (3S)-3-methylhexanoate is often utilized in the food and cosmetic industries for its pleasant scent and flavor profile. Additionally, it may have applications in organic synthesis and as a potential intermediate in the production of other chemical compounds. Safety data should be consulted for handling and exposure guidelines, as with any chemical substance.

Formula:C₈H₁₆O₂

InChI:InChI=1S/C8H16O2/c1-4-5-7(2)6-8(9)10-3/h7H,4-6H2,1-3H3/t7-/m0/s1

InChI key:InChIKey=VPROXMOZLPCRJN-ZETCQYMHSA-N

SMILES:O=C(OC)CC(C)CCC