二丙酮醇 (CAS 123-42-2)

Diacetone Alcohol

CAS 123-42-2  ·  C6H12O2  ·  MW 116.16 g/mol

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3D model Diacetone Alcohol, CAS 123-42-2, molecular formula C6H12O2, molar mass 116.16 g/mol
About 二丙酮醇 (CAS 123-42-2)

二丙酮醇 (CAS 123-42-2) is a chemical compound registered under number CAS 123-42-2, with the molecular formula C6H12O2, and a molar mass of 116.16 g/mol.

The molecule contains 20 atoms connected by 19 chemical bonds. The full systematic IUPAC name of this compound is 4-hydroxy-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 = -0.2 (negative value, a hydrophilic compound), polar surface area PSA = 37.3 Ų, 1 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.

Physicochemical properties
Wzór sumarycznyC6H12O2
Masa molowa116.16 g/mol
IUPAC4-hydroxy-4-methylpentan-2-one
SMILESCC(=O)CC(C)(C)O
InChIKeySWXVUIWOUIDPGS-UHFFFAOYSA-N
logP (XLogP3)-0.2
PSA37.3 Ų
HBD / HBA1 / 2
PubChem CIDCID 31256 ↗
GHS safety

Sygnał: Uwaga

GHS07
GHS07

H319 — Działa drażniąco na oczy

Scientific literature

Related literature

20 artykułów · 7 open access · Źródła: PubMed, OpenAlex, Semantic Scholar

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

📈 Timeline publikacji (20 artykułów)

2008: 1 artykułów20082009: 2 artykułów2016: 2 artykułów2017: 12 artykułów20172021: 1 artykułów2023: 1 artykułów2025: 1 artykułów2025

Wysokość słupka = liczba artykułów w roku. 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
Diacetone alcohol · 4-HYDROXY-4-METHYL-2-PENTANONE · 123-42-2 · 4-Hydroxy-4-methylpentan-2-one · Diacetonalkohol · Diketone alcohol · Diacetonalcohol · Tyranton · Acetonyldimethylcarbinol · Pyranton A · Diacetone · Pyranton · Diacetone-alcool · 2-Pentanone, 4-hydroxy-4-methyl- · Diacetonalcool
Data sources
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