Ethylacrolein

CAS 922-63-4  ·  C5H8O  ·  MW 84.12 g/mol

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3D model Ethylacrolein, CAS 922-63-4, molecular formula C5H8O, molar mass 84.12 g/mol
About Ethylacrolein

Ethylacrolein is a chemical compound registered under number CAS 922-63-4, with the molecular formula C5H8O, and a molar mass of 84.12 g/mol.

The molecule contains 14 atoms connected by 13 chemical bonds. The full systematic IUPAC name of this compound is 2-methylidenebutanal. 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 = 1.2 (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 formulaC5H8O
Masa molowa84.12 g/mol
IUPAC2-methylidenebutanal
SMILESCCC(=C)C=O
InChIKeyGMLDCZYTIPCVMO-UHFFFAOYSA-N
logP (XLogP3)1.2
PSA17.1 Ų
HBD / HBA0 / 1
PubChem CIDCID 70203 ↗
GHS safety

Signal word: Danger

GHS02
GHS02
GHS06
GHS06
GHS07
GHS07

H225 — Wysoce łatwopalna ciecz i pary

H302 — Działa szkodliwie po połknięciu

H312 — Działa szkodliwie w kontakcie ze skórą

H330 — Wdychanie grozi śmiercią

Scientific literature

Related literature

3 articles · 0 open access · Sources: PubMed, OpenAlex, Semantic Scholar

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

📈 Publication timeline (3 articles)

1981: 1 articles19811991: 1 articles19912007: 1 articles2007

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

Synonyms
2-Ethylacrolein · 922-63-4 · 2-Methylenebutanal · Ethacrolein · alpha-Ethylacrolein · Ethylacrolein · RefChem:111231 · DTXCID309205 · 213-079-3 · 2-methylidenebutanal · 2-Ethylpropenal · 2-Ethylacrylaldehyde · Butanal, 2-methylene- · 2-Methylenebutyraldehyde · 2-Ethacrolein
Data sources
Related molecules
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License & Provenance

MolGod 3D molecular model
Ethylacrolein — CAS 922-63-4

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

MolGod License & Provenance Record:
Ethylacrolein (CAS 922-63-4) — License & Provenance

Source:
Ethylacrolein (CAS 922-63-4) — MolGod molecule record

Source data: PubChem CID 70203

STL: Download 3D model (280 KB)

SHA-256: 2cd7b47426f339b30b87214b5ff0879b4d202c3ddf8cd66d9916e0abb247b3f2

Wikimedia Commons: not published yet

Source data: PubChem CID 70203

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