beta-Butyrolactone (C4H6O2)

Looking for routes to beta-Butyrolactone? beta-Butyrolactone presents a C4 framework, a carboxylic acid. Use the planner with prefilled SMILES, or copy CC1CC(=O)O1 (CAS 3068-88-0).

Target: beta-Butyrolactone
CAS: 3068-88-0
Formula: C4H6O2
Approx. MW: 86.09
SMILES: CC1CC(=O)O1
PubChem CID: 18303
Approx. carbons: C4

beta-Butyrolactone structure

Properties

IUPAC name: 4-methyloxetan-2-one
Molecular weight: 86.09
Exact mass: 86.04
InChIKey: GSCLMSFRWBPUSK-UHFFFAOYSA-N

View on PubChem

beta-Butyrolactone 1H / 13C NMR spectrum →

FAQ

What is the chemical formula of beta-Butyrolactone?

beta-Butyrolactone has molecular formula C4H6O2. Molecular weight about 86.09 g·mol⁻¹.

What is the CAS number of beta-Butyrolactone?

The CAS Registry Number for beta-Butyrolactone is 3068-88-0.

Run AI retrosynthesis for beta-Butyrolactone Target catalog AI tools overview

Open the planner with beta-Butyrolactone preloaded, then keep routes that match CAS 3068-88-0.

Related targets

Similar compounds

Cyclopropanecarboxylic Acid Methacrylic Acid (+-)-Aspartic acid 2-(Bromomethyl)acrylic acid 2-(Trifluoromethyl)acrylic acid 2-amino-3-hydroxybutanoic acid

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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.