Diisobutyl ketone (C9H18O)

Looking for routes to Diisobutyl Ketone? Diisobutyl Ketone presents a C9 framework. Use the planner with prefilled SMILES, or copy CC(C)CC(=O)CC(C)C (CAS 108-83-8).

Target: Diisobutyl ketone
CAS: 108-83-8
Formula: C9H18O
Approx. MW: 142.24
SMILES: CC(C)CC(=O)CC(C)C
PubChem CID: 7958
Approx. carbons: C9

Diisobutyl ketone structure

Properties

IUPAC name: 2,6-dimethylheptan-4-one
Common names: 2,6-Dimethyl-4-heptanone; 2,6-Dimethylheptan-4-one; 108-83-8; DIISOBUTYL KETONE; Isovalerone; Isobutyl ketone; DIBK; s-Diisopropylacetone; Valerone; Diisobutilchetone
Molecular weight: 142.24
Exact mass: 142.14
InChIKey: PTTPXKJBFFKCEK-UHFFFAOYSA-N
Melting point: -51.5 °F (NTP, 1992)
Boiling point: 331 °F at 760 mmHg (NTP, 1992)
Density: 0.806 at 68 °F (USCG, 1999) - Less dense than water; will float

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Diisobutyl ketone 1H / 13C NMR spectrum →

FAQ

What is the chemical formula of Diisobutyl ketone?

Diisobutyl ketone has molecular formula C9H18O. Molecular weight about 142.24 g·mol⁻¹.

What is the CAS number of Diisobutyl ketone?

The CAS Registry Number for Diisobutyl ketone is 108-83-8.

Run AI retrosynthesis for Diisobutyl ketone Target catalog AI tools overview

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Related targets

Similar compounds

1-Nonen-3-ol 2-Nonanone 3-Cyclohexylpropan-1-ol 4-Nonanone Isononylaldehyde

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References & tools

ChemicalHelper Reaction — AI retrosynthesis with optional library evidence.
PubChem — compound identifiers and structure depictions (NIH/NCBI).
Related: AiZynthFinder / synthesis planning literature for computer-aided retrosynthesis.