3,3-Diacetoxypropene

CAS 869-29-4  ·  C7H10O4  ·  MW 158.15 g/mol

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3D model 3,3-Diacetoxypropene, CAS 869-29-4, molecular formula C7H10O4, molar mass 158.15 g/mol
About 3,3-Diacetoxypropene

3,3-Diacetoxypropene is a chemical compound registered under number CAS 869-29-4, with the molecular formula C7H10O4, and a molar mass of 158.15 g/mol.

The molecule contains 21 atoms connected by 20 chemical bonds. The full systematic IUPAC name of this compound is 1-acetyloxyprop-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 = 0.8 (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
Molecular formulaC7H10O4
Masa molowa158.15 g/mol
IUPAC1-acetyloxyprop-2-enyl acetate
SMILESCC(=O)OC(C=C)OC(=O)C
InChIKeyTXECTBGVEUDNSL-UHFFFAOYSA-N
logP (XLogP3)0.8
PSA52.6 Ų
HBD / HBA0 / 4
PubChem CIDCID 61226 ↗
GHS safety

Signal word: Danger

GHS05
GHS05
GHS06
GHS06

H300 — Połknięcie grozi śmiercią

H314 — Powoduje poważne oparzenia skóry oraz uszkodzenia oczu

H331 — Działa toksycznie w następstwie wdychania

H227 — Substancja ciekła palna

H310 — Grozi śmiercią w kontakcie ze skórą

H330 — Wdychanie grozi śmiercią

Scientific literature

Related literature

20 articles · 15 open access · Sources: PubMed, OpenAlex, Semantic Scholar

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

📈 Publication timeline (20 articles)

1964: 1 articles19641973: 1 articles1974: 1 articles1988: 1 articles19881997: 1 articles2025: 10 articles2026: 5 articles2026

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
Allylidene diacetate · 869-29-4 · Diacetoxypropene · 3,3-Diacetoxypropene · Allylidene acetate · Acrolein diacetate · Shell 345 · Shell SD 345 · 1,1-Diacetoxypropene-2 · SD 345 (ester) · 2-Propene-1,1-diol, diacetate · Caswell No. 706 · SD-345 · Allylidene di(acetate) · Acrolein, monohydrate, diacetate
Data sources
Related molecules
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📜 License & provenanceMolGod_License_1
Model
3,3-Diacetoxypropene · 869-29-4
License
CC BY 4.0 International (source rights undetermined — not yet granted)
Attribution
MolGod Scientific
License & provenance record
3,3-Diacetoxypropene (CAS 869-29-4) →
MolGod molecule record
3,3-Diacetoxypropene →
Source data
PubChem CID 61226 ↗
SHA-256 (STL)
e090bde7185a497b9533888ffec86211bd370af5a61408f8120bccf89f8ccdad
Wikimedia Commons
not published yet
📄 Download 3D model (422 KB)

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