Methacrolein (C4H6O)

Methacrolein presents a C4 framework, unsaturation (formula C4H6O, CAS 78-85-3). ChemicalHelper Reaction can propose ranked disconnections for Methacrolein from the SMILES C=C(C)C=O.

Target: Methacrolein
CAS: 78-85-3
Formula: C4H6O
Approx. MW: 70.09
SMILES: C=C(C)C=O
PubChem CID: 6562
Approx. carbons: C4

Methacrolein structure

Properties

IUPAC name: 2-methylprop-2-enal
Common names: METHACROLEIN; Methacrylaldehyde; 78-85-3; 2-Methyl-2-propenal; 2-Methylacrolein; 2-Methylprop-2-enal; Isobutenal; 2-Propenal, 2-methyl-; 2-Methylpropenal; 2-Methylenepropanal
Molecular weight: 70.09
Exact mass: 70.04
InChIKey: STNJBCKSHOAVAJ-UHFFFAOYSA-N
Melting point: -81 °C
Boiling point: 68.4 °C
Density: 0.849 @ 25 °C/4 °C

View on PubChem

Methacrolein 1H / 13C NMR spectrum →

FAQ

What is the chemical formula of Methacrolein?

Methacrolein has molecular formula C4H6O. Molecular weight about 70.09 g·mol⁻¹.

What is the CAS number of Methacrolein?

The CAS Registry Number for Methacrolein is 78-85-3.

Run AI retrosynthesis for Methacrolein Target catalog AI tools overview

Open the planner with Methacrolein preloaded, then keep routes that match CAS 78-85-3.

Related targets

Similar compounds

2-Butyn-1-Ol 3-Butyn-1-Ol 3-Butyn-2-ol Methyl Vinyl Ketone 3-Oxolene Cyclobutanone

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.