2,2,6,6-Tetramethyloctane-3,5-dione

Base Information

• Chemical Name: 2,2,6,6-Tetramethyloctane-3,5-dione
• CAS No.: 78579-61-0
• Molecular Formula: C12H22O2
• Molecular Weight: 198.3
• Hs Code.: 2914190090
• DSSTox Substance ID: DTXSID90595410
• Nikkaji Number: J1.209.341A
• Wikidata: Q72507679
• Mol file: 78579-61-0.mol

Synonyms:2,2,6,6-Tetramethyloctane-3,5-dione;78579-61-0;2,2,6,6-TETRAMETHYL-3,5-OCTANEDIONE;SCHEMBL406290;DTXSID90595410;AMY11773;MFCD02684546;2,2,6,6-tetramethyloctane3,5-dione;2-Butanol, 3,3-dimethyl-, 2-benzoate;CS-0086876

Chemical Property of 2,2,6,6-Tetramethyloctane-3,5-dione

Chemical Property:

• Boiling Point: 294.9 °C at 760 mmHg
• Flash Point: 110 °C
• PSA: 34.14000
• Density: 0.897 g/cm³
• LogP: 2.99700
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 198.161979940
• Heavy Atom Count: 14
• Complexity: 231

Purity/Quality:

99% ^*data from raw suppliers

2,2,6,6-Tetramethyl-3,5-octanedione ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(C)(C)C(=O)CC(=O)C(C)(C)C
• Uses: Ligand of choice for the preparation of low melting, volatile beta-diketonate complexes.