2-Ethylhexanoic Acid

CAS 149-57-5  ·  C8H16O2  ·  MW 144.21 g/mol

Full record: 2-Ethylhexanoic Acid — Safety Data Sheet →

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3D model 2-Ethylhexanoic Acid, CAS 149-57-5, molecular formula C8H16O2, molar mass 144.21 g/mol

Model views

  • 2-Ethylhexanoic Acid (CAS 149-57-5) – ball-and-stick 3D model, MolGod Viewer
    ball-and-stick 3D model
  • 2-Ethylhexanoic Acid (CAS 149-57-5) – skeletal 3D model, MolGod Viewer
    skeletal 3D model
  • space-filling 3D model – rotation animation
  • 2-Ethylhexanoic Acid (CAS 149-57-5) – 2D structure, MolGod Viewer
    2D structure

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About 2-Ethylhexanoic Acid

2-Ethylhexanoic Acid is a chemical compound registered under number CAS 149-57-5, with the molecular formula C8H16O2, and a molar mass of 144.21 g/mol.

The molecule contains 26 atoms connected by 25 chemical bonds. The full systematic IUPAC name of this compound is 2-ethylhexanoic acid. 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 = 2.6 (positive value, a lipophilic 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 interactive 3D model and the viewer images are protected by copyright (© MolGod.org) — terms of use: molgod.org/copyright/.

Physicochemical properties
Molecular formulaC8H16O2
Molar mass144.21 g/mol
IUPAC2-ethylhexanoic acid
SMILESCCCCC(CC)C(=O)O
InChIKeyOBETXYAYXDNJHR-UHFFFAOYSA-N
logP (XLogP3)2.6
PSA37.3 Ų
HBD / HBA1 / 2
PubChem CIDCID 8697 ↗
GHS safety

Signal word: Warning

GHS08
GHS08

H361 — Suspected of damaging fertility or the unborn child

Scientific literature

Related literature

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

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

📈 Publication timeline (number of articles: 7)

1987: number of articles 119871991: number of articles 11993: number of articles 11998: number of articles 219982001: number of articles 12023: number of articles 12023

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.

Synonyms
2-ETHYLHEXANOIC ACID · 149-57-5 · 2-Ethylcaproic acid · Hexanoic acid, 2-ethyl- · Ethylhexanoic acid · Ethylhexoic acid · 2-Ethylhexoic acid · Butylethylacetic acid · 2-Butylbutanoic acid · 3-Heptanecarboxylic acid · 2-ethyl-hexoic acid · alpha-Ethylcaproic acid · 2-Ethyl-1-hexanoic acid · 01MU2J7VVZ · alpha-Ethylhexanoic acid
Data sources
Related molecules
📜 License & provenanceMolGod_License_1
COMPUTED — PubChem3D · 3D conformer computed by PubChem using OMEGA; not an experimental structure.
Model
2-Ethylhexanoic Acid · 149-57-5
InChIKey
OBETXYAYXDNJHR-UHFFFAOYSA-N
License
CC BY-SA 4.0 International
Attribution
MolGod Scientific — 2-Ethylhexanoic Acid (CAS 149-57-5)
License & provenance record
2-Ethylhexanoic Acid (CAS 149-57-5) →
MolGod molecule record
2-Ethylhexanoic Acid →
Source data
PubChem CID 8697 ↗
Model information
STL generated by MolGod · MolGod STL Exporter build 48804cd20b0d · generated 2026-10-14
SHA-256 (STL)
0287fae68661edc98fa013a8e3e8480901465490531ab940892f4836331da0f3
MD5 (STL)
89c2c6693900f1df94da8747dfc6638b
MolGod Identification Number
MG_662-518-495-27
Transformation
MolGod Scientific ball-and-stick mesh
Changes
Converted into a triangulated molecular mesh; atomic coordinates and connectivity unchanged.
Wikimedia Commons
not published yet
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