Amyl acetoacetate (C9H16O3)

Amyl Acetoacetate presents a C9 framework (formula C9H16O3, CAS 6624-84-6). ChemicalHelper Reaction can propose ranked disconnections for Amyl Acetoacetate from the SMILES CCCCCOC(=O)CC(C)=O.

Target: Amyl acetoacetate
CAS: 6624-84-6
Formula: C9H16O3
Approx. MW: 172.22
SMILES: CCCCCOC(=O)CC(C)=O
PubChem CID: 138786
Approx. carbons: C9

Amyl acetoacetate structure

Properties

IUPAC name: pentyl 3-oxobutanoate
Common names: Amyl Acetoacetate; RefChem:557933; 672-727-7; Pentyl 3-oxobutanoate; 6624-84-6; Pentyl acetoacetate; Acetoacetic acid n-amyl ester; Acetoacetic acid, n-amyl ester; Acetoacetic Acid Amyl Ester; Acetoacetic Acid Pentyl Ester
Molecular weight: 172.22
Exact mass: 172.11
InChIKey: IDZAUPYMMSSVHP-UHFFFAOYSA-N

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Amyl acetoacetate 1H / 13C NMR spectrum →

FAQ

What is the chemical formula of Amyl acetoacetate?

Amyl acetoacetate has molecular formula C9H16O3. Molecular weight about 172.22 g·mol⁻¹.

What is the CAS number of Amyl acetoacetate?

The CAS Registry Number for Amyl acetoacetate is 6624-84-6.

Run AI retrosynthesis for Amyl acetoacetate Target catalog AI tools overview

Open the planner with Amyl acetoacetate preloaded, then keep routes that match CAS 6624-84-6.

Related targets

Similar compounds

Ethyl 3-oxoheptanoate Ethyl pivaloylacetate

Browse the full target catalog

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.