Isobutyl ketone

CAS 108-83-8  ·  C9H18O  ·  MW 142.24 g/mol

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3D model Isobutyl ketone, CAS 108-83-8, molecular formula C9H18O, molar mass 142.24 g/mol
About Isobutyl ketone

Isobutyl ketone is a chemical compound registered under number CAS 108-83-8, with the molecular formula C9H18O, and a molar mass of 142.24 g/mol.

The molecule contains 28 atoms connected by 27 chemical bonds. The full systematic IUPAC name of this compound is 2,6-dimethylheptan-4-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 = 2.5 (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 formulaC9H18O
Masa molowa142.24 g/mol
IUPAC2,6-dimethylheptan-4-one
SMILESCC(C)CC(=O)CC(C)C
InChIKeyPTTPXKJBFFKCEK-UHFFFAOYSA-N
logP (XLogP3)2.5
PSA17.1 Ų
HBD / HBA0 / 1
PubChem CIDCID 7958 ↗
GHS safety

Signal word: Warning

GHS02
GHS02
GHS07
GHS07

H226 — Łatwopalna ciecz i pary

H335 — Może powodować podrażnienie dróg oddechowych

Scientific literature

Related literature

15 articles · 0 open access · Sources: PubMed, OpenAlex, Semantic Scholar

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

📈 Publication timeline (15 articles)

1992: 1 articles19922008: 14 articles2008

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
2,6-Dimethyl-4-heptanone · 2,6-Dimethylheptan-4-one · 108-83-8 · DIISOBUTYL KETONE · Isovalerone · Isobutyl ketone · s-Diisopropylacetone · Valerone · DIBK · Diisobutilchetone · Di-isobutylcetone · 4-Heptanone, 2,6-dimethyl- · Diisobutylketon · sym-Diisopropylacetone · sec-Diisopropyl acetone
Data sources
Related molecules
📜 License & provenanceMolGod_License_1
Isobutyl ketone (CAS 108-83-8), C9H18O - 3D ball-and-stick molecular model, engraved element symbols (C H O), MolGod STL previewPobierz obraz

MG-STL-108-83-8-GRAVERED · 303,014 △ · 14 MB · SHA-256 0827e7d7168c60a1

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Isobutyl ketone (CAS 108-83-8), C9H18O - 3D ball-and-stick molecular model, MolGod STL previewPobierz obraz

MG-STL-108-83-8-NORMAL · 11,552 △ · 564 KB · SHA-256 666a87ec6eb68177

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Model
Isobutyl ketone · 108-83-8
InChIKey
PTTPXKJBFFKCEK-UHFFFAOYSA-N
License
CC BY-SA 4.0 International
Attribution
MolGod Scientific — Isobutyl ketone (CAS 108-83-8)
License & provenance record
Isobutyl ketone (CAS 108-83-8) →
MolGod molecule record
Isobutyl ketone →
Source data
PubChem CID 7958 ↗
Model information
STL generated by MolGod · MolGod STL Exporter @ 8b6dfdd · generated 2026-09-25
SHA-256 (STL)
666a87ec6eb68177ab8bbf0b09ee010f89e2a65995bd32f0fb91bd02ca8e6c62
MD5 (STL)
908d256dd195c1a1a73cbce84deb331a
Model identifier
MG-STL-108-83-8
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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