2-Methylallylidene diacetate (CAS 10476-95-6)

Methacrolein diacetate

CAS 10476-95-6  ·  C8H12O4  ·  MW 172.18 g/mol

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3D model Methacrolein diacetate, CAS 10476-95-6, molecular formula C8H12O4, molar mass 172.18 g/mol
About 2-Methylallylidene diacetate (CAS 10476-95-6)

2-Methylallylidene diacetate (CAS 10476-95-6) 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.

Physicochemical properties
Wzór sumarycznyC8H12O4
Masa molowa172.18 g/mol
IUPAC(1-acetyloxy-2-methylprop-2-enyl) acetate
SMILESCC(=C)C(OC(=O)C)OC(=O)C
InChIKeyQFXJBPCTHSTOPE-UHFFFAOYSA-N
logP (XLogP3)1.4
PSA52.6 Ų
HBD / HBA0 / 4
PubChem CIDCID 25305 ↗
GHS safety

Sygnał: Niebezpieczeństwo

GHS06
GHS06

H302 — Działa szkodliwie po połknięciu

H310 — Grozi śmiercią w kontakcie ze skórą

H330 — Wdychanie grozi śmiercią

Scientific literature

Related literature

20 artykułów · 15 open access · Źródła: PubMed, OpenAlex, Semantic Scholar

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

📈 Timeline publikacji (20 artykułów)

2004: 1 artykułów20042010: 1 artykułów2019: 1 artykułów20192022: 1 artykułów2026: 15 artykułów2026

Wysokość słupka = liczba artykułów w roku. 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 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
Data sources
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