Isooctan-1-ol

CAS 26952-21-6  ·  C8H18O  ·  MW 130.23 g/mol

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3D model Isooctan-1-ol, CAS 26952-21-6, molecular formula C8H18O, molar mass 130.23 g/mol
About Isooctan-1-ol

Isooctan-1-ol is a chemical compound registered under number CAS 26952-21-6, with the molecular formula C8H18O, and a molar mass of 130.23 g/mol.

The molecule contains 27 atoms connected by 26 chemical bonds. The full systematic IUPAC name of this compound is 6-methylheptan-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 = 2.8 (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 formulaC8H18O
Masa molowa130.23 g/mol
IUPAC6-methylheptan-1-ol
SMILESCC(C)CCCCCO
InChIKeyBWDBEAQIHAEVLV-UHFFFAOYSA-N
logP (XLogP3)2.8
PSA20.2 Ų
HBD / HBA1 / 1
PubChem CIDCID 15450 ↗
GHS safety

Signal word: Warning

GHS07
GHS07

H315 — Działa drażniąco na skórę

H319 — Działa drażniąco na oczy

H335 — Może powodować podrażnienie dróg oddechowych

H227 — Substancja ciekła palna

H302 — Działa szkodliwie po połknięciu

H320 — H320

Scientific literature

Related literature

20 articles · 18 open access · Sources: PubMed, OpenAlex, Semantic Scholar

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

📈 Publication timeline (20 articles)

1995: 2 articles19951998: 1 articles1999: 3 articles2011: 1 articles2013: 2 articles2015: 1 articles2020: 1 articles20202021: 1 articles2022: 2 articles2023: 1 articles2024: 3 articles2025: 2 articles2025

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
Isooctan-1-ol · RefChem:791998 · 6-METHYL-1-HEPTANOL · 1653-40-3 · 6-METHYLHEPTAN-1-OL · Isooctanol · 1-Heptanol, 6-methyl- · ISOOCTYL ALCOHOL · 26952-21-6 · 6-Methylheptanol · MFCD00060842 · 6-Methylheptanol (90per cent) · 6-methyl-heptan-1-ol · 6-Methylheptanol (90%) · IJF7D6C38T
Data sources
Related molecules
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📜 License & ProvenanceMolGod_License_1
Model
Isooctan-1-ol · 26952-21-6
Licence
CC BY 4.0 International (source rights NIEUSTALONE — not yet granted)
Attribution
MolGod Scientific
Licence & provenance record
Isooctan-1-ol (CAS 26952-21-6) →
MolGod molecule record
Isooctan-1-ol →
Source data
PubChem CID 15450 ↗
SHA-256 (STL)
081791f9c0a82c822a4b797cc2cbe8f81436b7a6c321b7c5ab3e03bb4002e12b
Wikimedia Commons
not published yet
📄 Download 3D model (544 KB)

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