Stearic Acid

CAS 57-11-4  ·  C18H36O2  ·  MW 284.5 g/mol

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3D model Stearic Acid, CAS 57-11-4, molecular formula C18H36O2, molar mass 284.5 g/mol
About Stearic Acid

Stearic Acid is a chemical compound registered under number CAS 57-11-4, with the molecular formula C18H36O2, and a molar mass of 284.5 g/mol.

The molecule contains 56 atoms connected by 55 chemical bonds. The full systematic IUPAC name of this compound is octadecanoic 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 = 7.4 (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 widget above may be used for educational, research and commercial purposes.

Physicochemical properties
Molecular formulaC18H36O2
Molar mass284.5 g/mol
IUPACoctadecanoic acid
SMILESCCCCCCCCCCCCCCCCCC(=O)O
InChIKeyQIQXTHQIDYTFRH-UHFFFAOYSA-N
logP (XLogP3)7.4
PSA37.3 Ų
HBD / HBA1 / 2
PubChem CIDCID 5281 ↗
GHS safety

Signal word: Danger

GHS06
GHS06
GHS09
GHS09

H301 — Toxic if swallowed

H400 — Very toxic to aquatic life

Scientific literature

Related literature

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

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

📈 Publication timeline (number of articles: 5)

2008: number of articles 120082010: number of articles 22019: number of articles 120192025: 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.

Synonyms
stearic acid · Octadecanoic acid · 57-11-4 · n-Octadecanoic acid · Stearophanic acid · Stearex Beads · 1-Heptadecanecarboxylic acid · Pearl stearic · Cetylacetic acid · Industrene R · Octadecansaeure · Stearinsaeure · Vanicol · Hydrofol Acid 150 · Century 1240
Data sources
Related molecules
📜 License & provenancePREDICTED MODEL · NOT VERIFIEDMolGod_License_1
PREDICTED MODEL — NOT VERIFIED
computed by MolGod Scientific · experimental feature (beta) · may contain errors

No source 3-D conformer was available to MolGod for this substance. MolGod Scientific computed this geometry from the structural formula with RDKit 2026.03.6 (ETKDGv3 conformer generation, MMFF94 force-field optimisation; lowest-energy converged conformer of a fixed-seed set). It is not a measured structure, it does not come from PubChem, and it has not been compared with experimental data. It shows one possible conformation.

Methods and references
  1. RDKit: Open-source cheminformatics, version 2026.03.6. Zenodo. doi:10.5281/zenodo.22140358 (all versions: doi:10.5281/zenodo.591637)
  2. Riniker S, Landrum GA. Better Informed Distance Geometry: Using What We Know To Improve Conformation Generation. J. Chem. Inf. Model. 2015, 55, 2562-2574. doi:10.1021/acs.jcim.5b00654
  3. Wang S, Witek J, Landrum GA, Riniker S. Improving Conformer Generation for Small Rings and Macrocycles Based on Distance Geometry and Experimental Torsional-Angle Preferences. J. Chem. Inf. Model. 2020, 60, 2044-2058. doi:10.1021/acs.jcim.0c00025
  4. Halgren TA. Merck molecular force field. I. Basis, form, scope, parameterization, and performance of MMFF94. J. Comput. Chem. 1996, 17, 490-519. doi:10.1002/(SICI)1096-987X(199604)17:5/6<490::AID-JCC1>3.0.CO;2-P
  5. Tosco P, Stiefl N, Landrum G. Bringing the MMFF force field to the RDKit: implementation and validation. J. Cheminform. 2014, 6, 37. doi:10.1186/s13321-014-0037-3
  6. Heller SR, McNaught A, Pletnev I, Stein S, Tchekhovskoi D. InChI, the IUPAC International Chemical Identifier. J. Cheminform. 2015, 7, 23. doi:10.1186/s13321-015-0068-4
  7. Kim S, Chen J, Cheng T, et al. PubChem 2025 update. Nucleic Acids Res. 2025, 53, D1516-D1525. doi:10.1093/nar/gkae1059 Compound record: https://pubchem.ncbi.nlm.nih.gov/compound/5281
  8. Bolton EE, Kim S, Bryant SH. PubChem3D: Conformer generation. J. Cheminform. 2011, 3, 4. doi:10.1186/1758-2946-3-4 (cited for contrast: no source 3-D conformer was available to MolGod for this record)
Stearic Acid (CAS 57-11-4), C18H36O2 - 3D ball-and-stick molecular model, engraved element symbols (C H O), MolGod STL previewDownload image

MG-STL-57-11-4-ENGRAVED · 607,158 △ · 29 MB · SHA-256 88a69714032008f5

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Stearic Acid (CAS 57-11-4), C18H36O2 - 3D ball-and-stick molecular model, MolGod STL previewDownload image

MG-STL-57-11-4-NORMAL · 23,296 △ · 1 MB · SHA-256 1e1e78428476bb37

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Model
Stearic Acid · 57-11-4
InChIKey
QIQXTHQIDYTFRH-UHFFFAOYSA-N
License
CC BY-SA 4.0 International (source rights undetermined — not yet granted)
Attribution
MolGod Scientific — Stearic Acid (CAS 57-11-4)
License & provenance record
Stearic Acid (CAS 57-11-4) →
MolGod molecule record
Stearic Acid →
Source data
PubChem CID 5281 ↗
Model information
STL generated by MolGod · MolGod STL Exporter build 48804cd20b0d · generated 2026-10-14
SHA-256 (STL)
1e1e78428476bb3718d9007eede54509955cc0eb77656de7d5e34802e602a9e3
MD5 (STL)
a4e4800228d33f000fd64691ba6cd77c
Model identifier
MG-STL-57-11-4
Transformation
MolGod Scientific ball-and-stick mesh
Changes
PREDICTED geometry computed by MolGod Scientific (RDKit), NOT verified; rendered as a triangulated mesh.
Wikimedia Commons
not published yet

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

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