Description

Dipivaloylmethane (CAS No. 1118-71-4) is a high-purity β-diketone compound with the molecular formula C₁₁H₂₀O₂, widely utilized in coordination chemistry and materials science. Its IUPAC name, 2,2,6,6-tetramethylheptane-3,5-dione, reflects its symmetrical structure featuring two pivaloyl (trimethylacetyl) groups flanking a central diketone moiety. This sterically hindered diketone exhibits exceptional thermal stability and serves as a versatile precursor for metal-organic frameworks (MOFs), catalysts, and luminescent complexes. Available in >98% purity (GC), it is supplied as a crystalline solid with minimal moisture sensitivity, ensuring consistent performance in demanding applications. Ideal for researchers developing advanced ligands or studying metal ion chelation, its low solubility in water and high solubility in organic solvents like toluene and THF facilitate flexible reaction conditions.

Properties

• CAS Number: 1118-71-4
• Complexity: 189
• IUPAC Name: 2,2,6,6-tetramethylheptane-3,5-dione
• InChI: InChI=1S/C11H20O2/c1-10(2,3)8(12)7-9(13)11(4,5)6/h7H2,1-6H3
• InChI Key: YRAJNWYBUCUFBD-UHFFFAOYSA-N
• Exact Mass: 184.146329876
• Molecular Formula: C11H20O2
• Molecular Weight: 184.27
• SMILES: CC(C)(C)C(=O)CC(=O)C(C)(C)C
• Topological: 34.1
• Monoisotopic Mass: 184.146329876
• Physical Description: Colorless liquid;
• Synonyms: 2,2,6,6-Tetramethylheptane-3,5-dione, Dipivaloylmethane, 2,2,6,6-Tetramethyl-3,5-heptanedione, 3,5-Heptanedione, 2,2,6,6-tetramethyl-, UNII-R8UI909HOY, R8UI909HOY, DTXSID7049396, EINECS 214-268-3, NSC 174296, NSC-174296, 2,2,6,6,-tetramethyl-3,5-heptanedione, DTXCID4029355, (CH3)3CCOCH2COC(CH3)3, 2,2,6,6-Tetramethyl heptanedione, 3,5-Heptanedione,2,2,6,6-tetramethyl-, 2,2,6,6Tetramethylheptane3,5dione, 3,5Heptanedione, 2,2,6,6tetramethyl, yrajnwybucufbd-uhfffaoysa-n, 1118-71-4, MFCD00008848, 2,2,6,6-tetramethyl-heptane-3,5-dione, 1,3-Di-tert-butyl-1,3-propanedione; Dipivaloylmethane; NSC 174296, dipivaloyl methane, TMHD, SCHEMBL93393, tetramethyl heptane 3,5-dione, SCHEMBL8875892, 3, 2,2,6,6-tetramethyl-, CHEMBL3186481, SCHEMBL26638148, 2,2,6,6-Tetramethyl-3,5-heptanedione (Dipivaloylmethane), BCP22520, STR03983, Tox21_202720, NSC174296, 2,6,6-Tetramethyl-3,5-heptanedione, AKOS000120515, 2,2,6,6-tetramethyl-3,5-heptandion, CS-W008804, FT33250, 2,2,6,6-tetramethyl-3,5-heptandione, 2,2,6,6 tetramethyl 3,5 heptanedione, 2,2,6,6 tetramethyl-3,5-heptanedione, 2,2,6,6-tetramethyl 3,5-heptanedione, 2,2,6,6-tetramethyl-3.5-heptanedione, NCGC00260268-01, AC-26289, BP-21179, HY-34417, SY010005, 2,2,6,6-tetramethyl-3,5-heptane dione, CAS-1118-71-4, DB-027506, 2, 2, 6, 6-tetramethylheptane-3,5-dione, D1678, NS00023588, ST50825222, EN300-20967, 2,2,6,6-Tetramethyl-3,5-heptanedione, >=98%, Q27287980, 2,2,6,6-Tetramethyl-3,5-heptanedione, for GC derivatization, >=98.0%

Application

Dipivaloylmethane is a key ligand in lanthanide and transition metal coordination chemistry, enabling the synthesis of highly stable complexes for OLEDs and catalytic systems. Its steric bulk prevents unwanted polymerization, making it valuable in the production of volatile metal-organic CVD precursors. Researchers also employ it as a UV-stabilizing additive in polymers and as a chelating agent for rare-earth separations.

Safety and Hazards

GHS Hazard Statements

• H302 (91.3%): Harmful if swallowed [Warning Acute toxicity, oral]
• H315 (13%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (13%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (13%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Acute Tox. 4 (91.3%)
• Skin Irrit. 2 (13%)
• Eye Irrit. 2A (13%)
• STOT SE 3 (13%)

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