2-Ethylhexanol

CAS 104-76-7  ·  C8H18O  ·  MW 130.23 g/mol

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3D model 2-Ethylhexanol, CAS 104-76-7, molecular formula C8H18O, molar mass 130.23 g/mol

Model views

  • 2-Ethylhexanol (CAS 104-76-7) – ball-and-stick 3D model, MolGod Viewer
    ball-and-stick 3D model
  • 2-Ethylhexanol (CAS 104-76-7) – skeletal 3D model, MolGod Viewer
    skeletal 3D model
  • space-filling 3D model – rotation animation
  • 2-Ethylhexanol (CAS 104-76-7) – 2D structure, MolGod Viewer
    2D structure

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About 2-Ethylhexanol

2-Ethylhexanol is a chemical compound registered under number CAS 104-76-7, 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 2-ethylhexan-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 = 3.1 (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 interactive 3D model and the viewer images are protected by copyright (© MolGod.org) — terms of use: molgod.org/copyright/.

Physicochemical properties
Molecular formulaC8H18O
Molar mass130.23 g/mol
IUPAC2-ethylhexan-1-ol
SMILESCCCCC(CC)CO
InChIKeyYIWUKEYIRIRTPP-UHFFFAOYSA-N
logP (XLogP3)3.1
PSA20.2 Ų
HBD / HBA1 / 1
PubChem CIDCID 7720 ↗
GHS safety

Signal word: Danger

GHS05
GHS05
GHS07
GHS07
GHS08
GHS08

H315 — Causes skin irritation

H319 — Causes serious eye irritation

H402 — Harmful to aquatic life

H227 — Combustible liquid

H336 — May cause drowsiness or dizziness

H361 — Suspected of damaging fertility or the unborn child

H371 — May cause damage to organs

H401 — Toxic to aquatic life

H312 — Harmful in contact with skin

H335 — May cause respiratory irritation

H314 — Causes severe skin burns and eye damage

Scientific literature

Related literature

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

Filters:Export:📄 BibTeX📑 RIS📋 EndNote🔧 CSL-JSON

📈 Publication timeline (number of articles: 4)

1992: number of articles 119922006: number of articles 12016: number of articles 120162025: number of articles 12025

Bar height = number of articles in a given year. Hover over a bar to see details.

Data from PubMed (NIH NLM), OpenAlex (CC0), Semantic Scholar (AI2). AI Summary generated by Semantic Scholar TLDR. Articles marked with require paid access.

Data sources
Related molecules
📜 License & provenanceMolGod_License_1
COMPUTED — PubChem3D · 3D conformer computed by PubChem using OMEGA; not an experimental structure.
2-Ethylhexanol (CAS 104-76-7), C8H18O - 3D ball-and-stick molecular model, engraved element symbols (C H O), MolGod STL previewDownload image

MG_336-995-500-75 · engraved · 287,604 △ · 14 MB · SHA-256 6c9bdbb29219ad42

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2-Ethylhexanol (CAS 104-76-7), C8H18O - 3D ball-and-stick molecular model, MolGod STL previewDownload image

MG_336-995-500-75 · normal · 11,136 △ · 544 KB · SHA-256 1f6e3cf7b766b9cc

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Model
2-Ethylhexanol · 104-76-7
InChIKey
YIWUKEYIRIRTPP-UHFFFAOYSA-N
License
CC BY-SA 4.0 International
Attribution
MolGod Scientific — 2-Ethylhexanol (CAS 104-76-7)
License & provenance record
2-Ethylhexanol (CAS 104-76-7) →
MolGod molecule record
2-Ethylhexanol →
Source data
PubChem CID 7720 ↗
Model information
STL generated by MolGod · MolGod STL Exporter build 48804cd20b0d · generated 2026-10-14
SHA-256 (STL)
1f6e3cf7b766b9cc5f793d1d1ddb7aaabc896a1b9f74638972890d8d3017f794
MD5 (STL)
c554cd1f3992f955f8db9e8dca9c3ac4
MolGod Identification Number
MG_336-995-500-75
Transformation
MolGod Scientific ball-and-stick mesh
Changes
Converted into a triangulated molecular mesh; atomic coordinates and connectivity unchanged.
Wikimedia Commons
STL · PNG
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Download the model, print it and use it in education. When you publish a photo, a material or an adaptation, the CC BY-SA 4.0 International licence requires you to credit “MolGod Scientific” as the author of the model, link to the original and to the licence text, indicate any changes you made and share adaptations under the same licence. A ready-to-use attribution text is in this section. No sign-up, no fees and no obligation to leave a review.

This license applies to the MolGod-created STL mesh, not automatically to third-party source material.

This 3D model is also published on: Zenodo (DOI 10.5281/zenodo.23670716) · Wikimedia Commons
Included in datasets: Hugging Face · OSF project index
Source structure: PubChem (CID 7720)
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