tert-Butyl acetoacetate

CAS: 1694-31-1

Ref. 3D-FB01780

Product Information

• Name: tert-Butyl acetoacetate
• Brand: Biosynth
• Description: tert-Butyl acetoacetate is an organic molecule that contains nitrogen atoms. The structure of tert-butyl acetoacetate can be described as a planar molecule with two hydrogen atoms and two carbon atoms. One of the hydrogen atoms is bonded to the carbon atom in the middle, and the other hydrogen atom is bonded to one of the carbons on the outside. The compound has a coordination geometry with a sodium ion in its center, and it can also exist as an anion or as a cation. Tert-butyl acetoacetate was synthesized by reacting sodium carbonate with tert-butyl alcohol. This reaction is exothermic and produces tert-butyl acetoacetate along with water and sodium hydroxide. In addition, tert-butyl acetoacetate is toxicologically studied, which has shown that it does not have any carcinogenic effects or adverse effects on reproduction in rats at doses up to 2000 mg/kg/day

Chemical properties

• Molecular weight: 158.19 g/mol
• Formula: C₈H₁₄O₃
• Purity: Min. 95%
• InChI: InChI=1S/C8H14O3/c1-6(9)5-7(10)11-8(2,3)4/h5H2,1-4H3
• InChI key: InChIKey=JKUYRAMKJLMYLO-UHFFFAOYSA-N
• SMILES: CC(=O)CC(=O)OC(C)(C)C