Methacrolein diacetate

Methacrolein diacetate is a chemical compound registered under number CAS 10476-95-6, with the molecular formula C₈H₁₂O₄, and a molar mass of 172.18 g/mol.

The molecule contains 24 atoms connected by 23 chemical bonds. The full systematic IUPAC name of this compound is (1-acetyloxy-2-methylprop-2-enyl) acetate. 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 = 1.4 (positive value, a lipophilic compound), polar surface area PSA = 52.6 Ų, 0 donors and 4 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.

Molecular formula	C8H12O4
Masa molowa	172.18 g/mol
IUPAC	(1-acetyloxy-2-methylprop-2-enyl) acetate
SMILES	CC(=C)C(OC(=O)C)OC(=O)C
InChIKey	QFXJBPCTHSTOPE-UHFFFAOYSA-N
logP (XLogP3)	1.4
PSA	52.6 Ų
HBD / HBA	0 / 4
PubChem CID	CID 25305 ↗

Signal word: Danger

H302 — Działa szkodliwie po połknięciu

H310 — Grozi śmiercią w kontakcie ze skórą

H330 — Wdychanie grozi śmiercią

METHACROLEIN DIACETATE · 2-Methyl-2-propene-1,1-diol diacetate · 2-Methylallylidene diacetate · Methyl allylidene diacetate · Methallylidene diacetate · 2-Propene-1,1-diol, 2-methyl-, diacetate · 3,3-diacetoxy-2-methylpropene · HSDB 6443 · Acetic acid, 2-methyl-2-propene-1,1-diol diester · UNII-VQ6QDI298V · 3,3-Diacetoxy-2-methyl-1-propene · EINECS 233-974-2 · VQ6QDI298V · NSC 46577 · BRN 1775081

• 📊 PubChem CID 25305 — NIH
• 🔬 NIST WebBook — spektroskopia
• 🌐 Wikidata
• 💊 ChEMBL — bioaktywność