Hexyl acetoacetate (C10H18O3)

Hexyl acetoacetate (C10H18O3; CAS 13562-84-0) is a practical retrosynthesis target. Hexyl acetoacetate presents a C10 framework. Open AI route search in one click below.

Target: Hexyl acetoacetate
CAS: 13562-84-0
Formula: C10H18O3
Approx. MW: 186.25
SMILES: CCCCCCOC(=O)CC(C)=O
PubChem CID: 83577
Approx. carbons: C10

Hexyl acetoacetate structure

Properties

IUPAC name: hexyl 3-oxobutanoate
Common names: Hexyl acetoacetate; 13562-84-0; Hexyl 3-oxobutanoate; Hexyl 3-ketobutyrate; Butanoic acid, 3-oxo-, hexyl ester; EINECS 236-953-6; DTXSID3065534; QNZLAXONNWOLJY-UHFFFAOYSA-; RefChem:788287; DTXCID3034323
Molecular weight: 186.25
Exact mass: 186.13
InChIKey: QNZLAXONNWOLJY-UHFFFAOYSA-N

View on PubChem

Hexyl acetoacetate 1H / 13C NMR spectrum →

FAQ

What is the chemical formula of Hexyl acetoacetate?

Hexyl acetoacetate has molecular formula C10H18O3. Molecular weight about 186.25 g·mol⁻¹.

What is the CAS number of Hexyl acetoacetate?

The CAS Registry Number for Hexyl acetoacetate is 13562-84-0.

Run AI retrosynthesis for Hexyl acetoacetate Target catalog AI tools overview

One click loads Hexyl acetoacetate into ChemicalTool Reaction for route exploration.

Related targets

Similar compounds

Ethyl 2-acetylhexanoate Isovaleric anhydride Trimethylacetic anhydride Valeric anhydride

Browse the full target catalog

References & tools

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