2-Pentanone

CAS 107-87-9  ·  C5H10O  ·  MW 86.13 g/mol

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3D model 2-Pentanone, CAS 107-87-9, molecular formula C5H10O, molar mass 86.13 g/mol
About 2-Pentanone

2-Pentanone is a chemical compound registered under number CAS 107-87-9, with the molecular formula C5H10O, and a molar mass of 86.13 g/mol.

The molecule contains 16 atoms connected by 15 chemical bonds. The full systematic IUPAC name of this compound is pentan-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 = 0.9 (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 formulaC5H10O
Masa molowa86.13 g/mol
IUPACpentan-2-one
SMILESCCCC(=O)C
InChIKeyXNLICIUVMPYHGG-UHFFFAOYSA-N
logP (XLogP3)0.9
PSA17.1 Ų
HBD / HBA0 / 1
PubChem CIDCID 7895 ↗
GHS safety

Signal word: Danger

GHS02
GHS02
GHS06
GHS06
GHS07
GHS07

H302 — Działa szkodliwie po połknięciu

H319 — Działa drażniąco na oczy

H225 — Wysoce łatwopalna ciecz i pary

H335 — Może powodować podrażnienie dróg oddechowych

H336 — Może wywoływać uczucie senności lub zawroty głowy

H305 — H305

H316 — H316

H331 — Działa toksycznie w następstwie wdychania

H333 — H333

Scientific literature

Related literature

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

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

📈 Publication timeline (3 articles)

2021: 1 articles20212022: 1 articles20222024: 1 articles2024

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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-Pentanone · 107-87-9 · PENTAN-2-ONE · METHYL PROPYL KETONE · Ethyl acetone · Ethylacetone · Methyl n-propyl ketone · Propyl methyl ketone · Metylopropyloketon · Methylpropyl ketone · Methyl-propyl-cetone · FEMA No. 2842 · FEMA Number 2842 · 4-methyl-2-butanone · Methyl-n-propyl ketone
Data sources
Related molecules
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📜 License & provenanceMolGod_License_1
Model
2-Pentanone · 107-87-9
License
CC BY 4.0 International (source rights undetermined — not yet granted)
Attribution
MolGod Scientific
License & provenance record
2-Pentanone (CAS 107-87-9) →
MolGod molecule record
2-Pentanone →
Source data
PubChem CID 7895 ↗
SHA-256 (STL)
0b1744d2d65078ebb846411feb92e43b7f5dfe9c8c89f0d3a2e43e642f9bb827
Wikimedia Commons
not published yet
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