The Butyl hexanoate, with the CAS registry number 626-82-4, is also known as Hexanoic acid butyl ester. Its EINECS registry number is 210-964-6. This chemical's molecular formula is C₁₀H₂₀O₂ and molecular weight is 172.26. What's more, its IUPAC name is the same with product name. It should be stored in a cool, dry and sealed place. This chemical can be used for spices synthesis.

Physical properties about Butyl hexanoate are: (1)ACD/LogP: 3.842; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.84; (4)ACD/LogD (pH 7.4): 3.84; (5)ACD/BCF (pH 5.5): 489.82; (6)ACD/BCF (pH 7.4): 489.82; (7)ACD/KOC (pH 5.5): 2931.79; (8)ACD/KOC (pH 7.4): 2931.79; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 26.3 Å²; (13)Index of Refraction: 1.423; (14)Molar Refractivity: 50.152 cm³; (15)Molar Volume: 197.085 cm³; (16)Polarizability: 19.882×10^-24 cm³; (17)Surface Tension: 28.34 dyne/cm; (18)Density: 0.874 g/cm³; (19)Flash Point: 81.111 °C; (20)Enthalpy of Vaporization: 44.302 kJ/mol; (21)Boiling Point: 206.774 °C at 760 mmHg; (22)Vapour Pressure: 0.23 mmHg at 25 °C.

Preparation of Butyl hexanoate: this chemical can be prepared by hexanoic acid with butan-1-ol. This reaction needs reagent chlorotrimethylsilane and solvent diethyl ether. The reaction time is 3 hours. The yield is 84 %.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OCCCC)CCCCC
(2) InChI: InChI=1S/C10H20O2/c1-3-5-7-8-10(11)12-9-6-4-2/h3-9H2,1-2H3
(3) InChIKey: RPRPDTXKGSIXMD-UHFFFAOYSA-N

The toxicity data is as follows: