1,3-Dimethylbutyl Butanoate

• CAT Number: C000967
• CAS Number: 5332-88-7
• Molecular Formula: C₁₀H₂₀O₂
• Molecular Weight: 172.26
• Purity: ≥95%
• Synonyms: 1,​3-​Dimethylbutyl ester butanoic acid; NSC 568
• Solubility: Chloroform (Slightly), Methanol (Slightly)
• Appearance: Colourless to Pale Yellow Oil
• Storage: 4°C, Inert atmosphere
• IUPAC Name: 4-methylpentan-2-yl butanoate
• InChI: InChI=1S/C10H20O2/c1-5-6-10(11)12-9(4)7-8(2)3/h8-9H,5-7H2,1-4H3
• InChIKey: YKIZNXWSYATKON-UHFFFAOYSA-N
• SMILES: CCCC(=O)OC(C)CC(C)C

1,3-Dimethylbutyl butanoate (Cat No.:C000967) is an organic compound. It is an ester formed by the reaction of butanoic acid and 1,3-dimethyl butanol. This colorless to pale yellow liquid has a pleasant fruity aroma and is used as a flavoring agent in the food and beverage industry. It provides a fruity, apple-like note to various products. Additionally, it may be used in perfumes and other fragrance applications.

Reference

Samykanno, K., et al.: Sci. Hort., 164. 633-42 (2013); Alves, V.C.C., et al.: Nat. Prod. J., 2, 55-60 (2012);