1-Octanol

CAS 111-87-5  ·  C8H18O  ·  MW 130.23 g/mol

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3D model 1-Octanol, CAS 111-87-5, molecular formula C8H18O, molar mass 130.23 g/mol
About 1-Octanol

1-Octanol is a chemical compound registered under number CAS 111-87-5, 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 octan-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 = 3 (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
IUPACoctan-1-ol
SMILESCCCCCCCCO
InChIKeyKBPLFHHGFOOTCA-UHFFFAOYSA-N
logP (XLogP3)3
PSA20.2 Ų
HBD / HBA1 / 1
PubChem CIDCID 957 ↗
GHS safety

Signal word: Warning

GHS07
GHS07
GHS08
GHS08

H319 — Działa drażniąco na oczy

H227 — Substancja ciekła palna

H370 — Powoduje uszkodzenie narządów

H371 — Może spowodować uszkodzenie narządów

H401 — Działa toksycznie na organizmy wodne

H412 — Działa szkodliwie na organizmy wodne, powodując długotrwałe skutki

H305 — H305

H316 — H316

Scientific literature

Related literature

2 articles · 2 open access · Sources: PubMed, OpenAlex, Semantic Scholar

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

📈 Publication timeline (2 articles)

2024: 1 articles20242025: 1 articles2025

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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
1-octanol · Octan-1-ol · 111-87-5 · N-octanol · Octyl alcohol · caprylic alcohol · n-Octyl alcohol · Heptyl carbinol · 1-Hydroxyoctane · Alcohol C-8 · Octilin · Primary octyl alcohol · n-Octan-1-ol · Dytol M-83 · Alfol 8
Data sources
Related molecules
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📜 License & provenanceMolGod_License_1
Model
1-Octanol · 111-87-5
License
CC BY 4.0 International (source rights undetermined — not yet granted)
Attribution
MolGod Scientific
License & provenance record
1-Octanol (CAS 111-87-5) →
MolGod molecule record
1-Octanol →
Source data
PubChem CID 957 ↗
SHA-256 (STL)
e8878cc3da6519a3ce06d33d1facc69bb5ae97c68b166ef10718cc631911785c
Wikimedia Commons
not published yet
📄 Download 3D model (544 KB)

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