Acetaldehyde, dibutyl acetal

Acetaldehyde, dibutyl acetal is a chemical compound registered under number CAS 871-22-7, with the molecular formula C₁₀H₂₂O₂, and a molar mass of 174.28 g/mol.

The molecule contains 34 atoms connected by 33 chemical bonds. The full systematic IUPAC name of this compound is 1-(1-butoxyethoxy)butane. 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 = 3 (positive value, a lipophilic compound), polar surface area PSA = 18.5 Ų, 0 donors and 2 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	C10H22O2
Masa molowa	174.28 g/mol
IUPAC	1-(1-butoxyethoxy)butane
SMILES	CCCCOC(C)OCCCC
InChIKey	SWTCCCJQNPGXLQ-UHFFFAOYSA-N
logP (XLogP3)	3
PSA	18.5 Ų
HBD / HBA	0 / 2
PubChem CID	CID 79117 ↗

Signal word: Warning

H315 — Działa drażniąco na skórę

1-(1-Butoxyethoxy)butane · 871-22-7 · 1,1-Dibutoxyethane · Dibutyl acetal · Acetaldehyde, dibutyl acetal · Acetaldehyde dibutyl acetal · Di-n-butyl acetal · 1,1-Di-n-butoxyethane · Ethane, 1,1-dibutoxy- · Butane, 1,1'-[ethylidenebis(oxy)]bis- · Butane, 1,1'-(ethylidenebis(oxy))bis- · AI3-22404 · NSC 5314 · EINECS 212-804-0 · 1,1'-(Ethylidenebis(oxy))bisbutane

• 📊 PubChem CID 79117 — NIH
• 🔬 NIST WebBook — spektroskopia
• 🌐 Wikidata
• 💊 ChEMBL — bioaktywność