Methacrolein

CAS 78-85-3  ·  C4H6O  ·  MW 70.09 g/mol

Loading molecule...
3D model Methacrolein, CAS 78-85-3, molecular formula C4H6O, molar mass 70.09 g/mol
About Methacrolein

Methacrolein is a chemical compound registered under number CAS 78-85-3, with the molecular formula C4H6O, and a molar mass of 70.09 g/mol.

The molecule contains 11 atoms connected by 10 chemical bonds. The full systematic IUPAC name of this compound is 2-methylprop-2-enal. The interactive 3D model above lets you view the spatial arrangement of the atoms — you can rotate it with the mouse, zoom with the scroll wheel, and switch between skeletal / Ball & Stick / Space Fill visualization modes.

In terms of physicochemical properties, the partition coefficient logP = 0.7 (positive value, a lipophilic compound), polar surface area PSA = 17.1 Ų, 0 donors and 1 hydrogen bond acceptors. These parameters are key when assessing bioavailability and interaction with biomolecules.

Chemical data for this compound comes from PubChem (NIH NLM NCBI), one of the world's largest chemical databases. All information is updated automatically and enriched with GHS hazard statement translations compliant with the CLP Regulation (EC 1272/2008). The widget above may be used for educational, research and commercial purposes.

Physicochemical properties
Molecular formulaC4H6O
Masa molowa70.09 g/mol
IUPAC2-methylprop-2-enal
SMILESCC(=C)C=O
InChIKeySTNJBCKSHOAVAJ-UHFFFAOYSA-N
logP (XLogP3)0.7
PSA17.1 Ų
HBD / HBA0 / 1
PubChem CIDCID 6562 ↗
GHS safety

Signal word: Danger

GHS02
GHS02
GHS05
GHS05
GHS06
GHS06

H225 — Wysoce łatwopalna ciecz i pary

H301 — Działa toksycznie po połknięciu

H311 — Działa toksycznie w kontakcie ze skórą

H314 — Powoduje poważne oparzenia skóry oraz uszkodzenia oczu

H318 — Powoduje poważne uszkodzenie oczu

H330 — Wdychanie grozi śmiercią

Scientific literature

Related literature

2 articles · 2 open access · Sources: PubMed, OpenAlex, Semantic Scholar

Filtry:Eksport:📄 BibTeX📑 RIS📋 EndNote🔧 CSL-JSON

📈 Publication timeline (2 articles)

2020: 1 articles20202024: 1 articles2024

Bar height = number of articles per year. Hover dla szczegółów.

Dane z PubMed (NIH NLM), OpenAlex (CC0), Semantic Scholar (AI2). AI Summary wygenerowane przez Semantic Scholar TLDR. Artykuły z ikoną wymagają płatnego dostępu.

Synonyms
METHACROLEIN · Methacrylaldehyde · 78-85-3 · 2-Methyl-2-propenal · 2-Methylacrolein · 2-Methylprop-2-enal · Isobutenal · 2-Propenal, 2-methyl- · 2-Methylpropenal · 2-Methylenepropanal · Methylacrylaldehyde · Acrolein, 2-methyl- · Methacrylic aldehyde · alpha-Methylacrolein · Methakrylaldehyd
Data sources
Related molecules
—
License & Provenance

MolGod 3D molecular model
Methacrolein — CAS 78-85-3

License: CC BY-SA 4.0 (source rights NIEUSTALONE — not yet granted for this model)

MolGod License & Provenance Record:
Methacrolein (CAS 78-85-3) — License & Provenance

Source:
Methacrolein (CAS 78-85-3) — MolGod molecule record

Source data: PubChem CID 6562

STL: Download 3D model (219 KB)

SHA-256: 356c966eb4ae09814684b2a3ec280741626ec0cc0fbb8343bd1dbeb9f3877f6c

Wikimedia Commons: not published yet

Source data: PubChem CID 6562

This licence applies to the MolGod-created STL mesh, not automatically to third-party source material.