The 1-Butanol, 2-methyl-, 1-acetate, with the CAS registry number of 624-41-9, is also known as 2-Methyl-1-butanoacetate and 2-Methyl-1-butyl acetate. It belongs to the product categories of Certified Natural Products Flavors and Fragrances; M-N; Alphabetical Listings; Flavors and Fragrances; M-N Flavors and Fragrances; Prepackaged Samples. Its EINECS registry number is 210-843-8. This chemical's molecular formula is C₇H₁₄O₂ and molecular weight is 130.18. What's more, its IUPAC name is 2-Methylbutyl acetate. This chemical's classification codes are TWA (50 ppm); STEL (100 ppm). In addition, it must be stored in airtight containers and placed in a dry and cool place. Besides, it should avoid contact with oxidant and ignition source.

Physical properties about 1-Butanol, 2-methyl-, 1-acetate are: (1)ACD/LogP: 2.12; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.12; (4)ACD/LogD (pH 7.4): 2.12; (5)ACD/BCF (pH 5.5): 23.99; (6)ACD/BCF (pH 7.4): 23.99; (7)ACD/KOC (pH 5.5): 338.4; (8)ACD/KOC (pH 7.4): 338.4; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 26.3 Å²; (13)Index of Refraction: 1.404; (14)Molar Refractivity: 36.21 cm³; (15)Molar Volume: 147.9 cm³; (16)Polarizability: 14.35×10^-24 cm³; (17)Surface Tension: 25.5 dyne/cm; (18)Density: 0.879 g/cm³; (19)Flash Point: 35 °C; (20)Enthalpy of Vaporization: 37.25 kJ/mol; (21)Boiling Point: 135.1 °C at 760 mmHg; (22)Vapour Pressure: 7.85 mmHg at 25 °C.

Preparation: this chemical is prepared by reaction of 2-Methyl-butan-1-ol with Acetic acid ethyl ester at heating. The reaction needs catalyst NaHSO₄-SiO₂. The reaction time is 1 hour. The yield is about 99 %.

When you are using this chemical, please be cautious about it as the following:
As a chemical, it is flammable. What’s more, the vapour of this chemical can not be breathed. And you should avoid contacting with eyes. Besides, it may cause skin dryness or cracking.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OCC(C)CC)C
(2) InChI: InChI=1/C7H14O2/c1-4-6(2)5-9-7(3)8/h6H,4-5H2,1-3H3
(3) InChIKey: XHIUFYZDQBSEMF-UHFFFAOYAU