Isobutanol

CAS 78-83-1  ·  C4H10O  ·  MW 74.12 g/mol

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3D model Isobutanol, CAS 78-83-1, molecular formula C4H10O, molar mass 74.12 g/mol
About Isobutanol

Isobutanol is a chemical compound registered under number CAS 78-83-1, with the molecular formula C4H10O, and a molar mass of 74.12 g/mol.

The molecule contains 15 atoms connected by 14 chemical bonds. The full systematic IUPAC name of this compound is 2-methylpropan-1-ol. 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 = 20.2 Ų, 1 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 formulaC4H10O
Masa molowa74.12 g/mol
IUPAC2-methylpropan-1-ol
SMILESCC(C)CO
InChIKeyZXEKIIBDNHEJCQ-UHFFFAOYSA-N
logP (XLogP3)0.8
PSA20.2 Ų
HBD / HBA1 / 1
PubChem CIDCID 6560 ↗
GHS safety

Signal word: Danger

GHS02
GHS02
GHS05
GHS05
GHS07
GHS07

H226 — Łatwopalna ciecz i pary

H335 — Może powodować podrażnienie dróg oddechowych

H336 — Może wywoływać uczucie senności lub zawroty głowy

H315 — Działa drażniąco na skórę

H318 — Powoduje poważne uszkodzenie oczu

Scientific literature

Related literature

2 articles · 2 open access · Sources: PubMed, OpenAlex, Semantic Scholar

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

📈 Publication timeline (2 articles)

2019: 1 articles20192023: 1 articles2023

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.

Data sources
Related molecules
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License & Provenance

MolGod 3D molecular model
Isobutanol — CAS 78-83-1

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

MolGod License & Provenance Record:
Isobutanol (CAS 78-83-1) — License & Provenance

Source:
Isobutanol (CAS 78-83-1) — MolGod molecule record

Source data: PubChem CID 6560

STL: Download 3D model (300 KB)

SHA-256: fbebbc35b12995a33356da22d8e8d18fe38738551310cd68f178a08a9184b456

Wikimedia Commons: not published yet

Source data: PubChem CID 6560

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