Potassium Stearate

CAS 593-29-3  ·  C₁₈H₃₅KO₂  ·  MW 322.6 g/mol

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3D model Potassium Stearate, CAS 593-29-3, molecular formula C₁₈H₃₅KO₂, molar mass 322.6 g/mol
About Potassium Stearate

Potassium Stearate is a chemical compound registered under number CAS 593-29-3, with the molecular formula C₁₈H₃₅KO₂, and a molar mass of 322.6 g/mol.

The molecule contains 56 atoms connected by 55 chemical bonds. The full systematic IUPAC name of this compound is potassium octadecanoate. 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, polar surface area PSA = 40.1 Ų, 0 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 formulaC₁₈H₃₅KO₂
Molar mass322.6 g/mol
IUPACpotassium octadecanoate
SMILESCCCCCCCCCCCCCCCCCC(=O)[O-].[K+]
InChIKeyANBFRLKBEIFNQU-UHFFFAOYSA-M
logP (XLogP3)—
PSA40.1 Ų
HBD / HBA0 / 2
PubChem CIDCID 23673840 ↗
Scientific literature

Brak articles naukowych dla CAS 593-29-3 w PubMed / OpenAlex / Semantic Scholar.

Synonyms
POTASSIUM STEARATE · 593-29-3 · Potassium octadecanoate · Octadecanoic acid, potassium salt · Potassium stearate, pure · Potassium n-octadecanoate · EINECS 209-786-1 · REXANOL · UNII-17V812XK50 · NONSOUL MK 2 · 17V812XK50 · POTASSIUM STEARATE [MI] · POTASSIUM STEARATE [VANDF] · POTASSIUM STEARATE [WHO-DD] · E-470(I)STEARIC ACID, POTASSIUM SALT
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
ILLUSTRATIVE FRAGMENT ARRANGEMENT — relative positions are not structural data

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.

This substance consists of 2 separate components (for example ions). Each component was computed separately; they are arranged radially around a layout anchor for visualisation only (at least 3.0 Å apart). Their relative positions are not a crystal structure, coordination geometry, ionic contacts or any experimentally determined arrangement.

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/23673840
  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)
Potassium Stearate (CAS 593-29-3), C₁₈H₃₅KO₂ - 3D ball-and-stick molecular model, engraved element symbols (C H K O), MolGod STL previewDownload image

MG-STL-593-29-3-ENGRAVED · 628,022 △ · 30 MB · SHA-256 1218efbeca753350

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Potassium Stearate (CAS 593-29-3), C₁₈H₃₅KO₂ - 3D ball-and-stick molecular model, MolGod STL previewDownload image

MG-STL-593-29-3-NORMAL · 23,200 △ · 1 MB · SHA-256 e72dc710ba247e49

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Model
Potassium Stearate · 593-29-3
InChIKey
ANBFRLKBEIFNQU-UHFFFAOYSA-M
License
CC BY-SA 4.0 International (source rights undetermined — not yet granted)
Attribution
MolGod Scientific — Potassium Stearate (CAS 593-29-3)
License & provenance record
Potassium Stearate (CAS 593-29-3) →
MolGod molecule record
Potassium Stearate →
Source data
PubChem CID 23673840 ↗
Model information
STL generated by MolGod · MolGod STL Exporter build 48804cd20b0d · generated 2026-10-14
SHA-256 (STL)
e72dc710ba247e49dc1d409175629c1e5b2f7a7220f7035c1f081c25616438d2
MD5 (STL)
4a454167e5079262c2c6d4a31bdd09b8
Model identifier
MG-STL-593-29-3
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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