Methyl Isobutyl Ketone

CAS 108-10-1  ·  C6H12O  ·  MW 100.16 g/mol

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3D model Methyl Isobutyl Ketone, CAS 108-10-1, molecular formula C6H12O, molar mass 100.16 g/mol
About Methyl Isobutyl Ketone

Methyl Isobutyl Ketone is a chemical compound registered under number CAS 108-10-1, with the molecular formula C6H12O, and a molar mass of 100.16 g/mol.

The molecule contains 19 atoms connected by 18 chemical bonds. The full systematic IUPAC name of this compound is 4-methylpentan-2-one. 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 = 1.3 (positive value, a lipophilic compound), polar surface area PSA = 17.1 Ų, 0 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 formulaC6H12O
Masa molowa100.16 g/mol
IUPAC4-methylpentan-2-one
SMILESCC(C)CC(=O)C
InChIKeyNTIZESTWPVYFNL-UHFFFAOYSA-N
logP (XLogP3)1.3
PSA17.1 Ų
HBD / HBA0 / 1
PubChem CIDCID 7909 ↗
GHS safety

Signal word: Danger

GHS02
GHS02
GHS07
GHS07
GHS08
GHS08

H225 — Wysoce łatwopalna ciecz i pary

H351 — Podejrzewa się, że powoduje raka

H332 — Działa szkodliwie w następstwie wdychania

H336 — Może wywoływać uczucie senności lub zawroty głowy

H319 — Działa drażniąco na oczy

EUH066 — Powtarzające się narażenie może powodować wysuszanie lub pękanie skóry

Scientific literature

Related literature

10 articles · 1 open access · Sources: PubMed, OpenAlex, Semantic Scholar

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

📈 Publication timeline (10 articles)

1988: 1 articles19882004: 1 articles2007: 2 articles2015: 1 articles2016: 1 articles20162019: 1 articles2023: 2 articles2024: 1 articles2024

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
4-Methyl-2-pentanone · METHYL ISOBUTYL KETONE · 4-Methylpentan-2-one · 108-10-1 · Isopropylacetone · Isobutyl methyl ketone · Hexone · MIBK · 2-Pentanone, 4-methyl- · 2-Methyl-4-pentanone · Shell mibk · 4-Methyl-2-oxopentane · Methylisobutylketon · Isohexanone · Hexon
Data sources
Related molecules
📜 License & provenanceMolGod_License_1
Methyl Isobutyl Ketone (CAS 108-10-1), C6H12O - 3D ball-and-stick molecular model, engraved element symbols (C H O), MolGod STL previewPobierz obraz

MG-STL-108-10-1-GRAVERED · 207,690 △ · 10 MB · SHA-256 6af413492bdd4704

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Methyl Isobutyl Ketone (CAS 108-10-1), C6H12O - 3D ball-and-stick molecular model, MolGod STL previewPobierz obraz

MG-STL-108-10-1-NORMAL · 7,808 △ · 381 KB · SHA-256 b0f353dfe1f6230a

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Model
Methyl Isobutyl Ketone · 108-10-1
InChIKey
NTIZESTWPVYFNL-UHFFFAOYSA-N
License
CC BY-SA 4.0 International
Attribution
MolGod Scientific — Methyl Isobutyl Ketone (CAS 108-10-1)
License & provenance record
Methyl Isobutyl Ketone (CAS 108-10-1) →
MolGod molecule record
Methyl Isobutyl Ketone →
Source data
PubChem CID 7909 ↗
Model information
STL generated by MolGod · MolGod STL Exporter @ 8b6dfdd · generated 2026-09-25
SHA-256 (STL)
b0f353dfe1f6230a43562f2d054ff1928307504f9586273f104ae8979f719557
MD5 (STL)
fdea5733d6a022e19de141ecbde0460f
Model identifier
MG-STL-108-10-1
Transformation
MolGod Scientific ball-and-stick mesh
Changes
Converted into a triangulated molecular mesh; atomic coordinates and connectivity unchanged.
Wikimedia Commons
not published yet

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

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