Propylene Glycol Monostearate

CAS 1323-39-3  ·  C21H42O3  ·  MW 342.6 g/mol

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3D model Propylene Glycol Monostearate, CAS 1323-39-3, molecular formula C21H42O3, molar mass 342.6 g/mol

Model views

  • Propylene Glycol Monostearate (CAS 1323-39-3) – ball-and-stick 3D model, MolGod Viewer
    ball-and-stick 3D model
  • Propylene Glycol Monostearate (CAS 1323-39-3) – skeletal 3D model, MolGod Viewer
    skeletal 3D model
  • Propylene Glycol Monostearate (CAS 1323-39-3) – space-filling 3D model, MolGod Viewer
    space-filling 3D model
  • Propylene Glycol Monostearate (CAS 1323-39-3) – 2D structure, MolGod Viewer
    2D structure

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About Propylene Glycol Monostearate

Propylene Glycol Monostearate is a chemical compound registered under number CAS 1323-39-3, with the molecular formula C21H42O3, and a molar mass of 342.6 g/mol.

The molecule contains 66 atoms connected by 65 chemical bonds. The full systematic IUPAC name of this compound is 2-hydroxypropyl 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, the partition coefficient logP = 8.3 (positive value, a lipophilic compound), polar surface area PSA = 46.5 Ų, 1 donors and 3 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 formulaC21H42O3
Molar mass342.6 g/mol
IUPAC2-hydroxypropyl octadecanoate
SMILESCCCCCCCCCCCCCCCCCC(=O)OCC(C)O
InChIKeyFKOKUHFZNIUSLW-UHFFFAOYSA-N
logP (XLogP3)8.3
PSA46.5 Ų
HBD / HBA1 / 3
PubChem CIDCID 14878 ↗
Scientific literature

Brak articles naukowych dla CAS 1323-39-3 w PubMed / OpenAlex / Semantic Scholar.

Synonyms
PROPYLENE GLYCOL MONOSTEARATE · 1323-39-3 · Cerasynt PA · Octadecanoic acid, monoester with 1,2-propanediol · FEMA No. 2942 · MZM1I680W0 · Propylene glycol palmitostearate · FEMA NO. 4208 · NSC-4841 · RefChem:1097053 · F76354LMGR · PROPYLENE GLYCOL MONOPALMITOSTEARATE · 215-354-3 · 617-037-9 · 2-Hydroxypropyl stearate
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.

1 stereo element(s) undefined in the source record (1 stereocentre(s), 0 double-bond E/Z) were assigned arbitrarily; the model shows one stereoisomer only, which may not be the naturally occurring or commercial form.

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/14878
  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)
Propylene Glycol Monostearate (CAS 1323-39-3), C21H42O3 - 3D ball-and-stick molecular model, engraved element symbols (C H O), MolGod STL previewDownload image

MG-STL-1323-39-3-ENGRAVED · 722,280 △ · 34 MB · SHA-256 5cc51cc61146dae9

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Propylene Glycol Monostearate (CAS 1323-39-3), C21H42O3 - 3D ball-and-stick molecular model, MolGod STL previewDownload image

MG-STL-1323-39-3-NORMAL · 27,456 △ · 1 MB · SHA-256 de9f2bd7fb351af9

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Model
Propylene Glycol Monostearate · 1323-39-3
InChIKey
FKOKUHFZNIUSLW-UHFFFAOYSA-N
License
CC BY-SA 4.0 International (source rights undetermined — not yet granted)
Attribution
MolGod Scientific — Propylene Glycol Monostearate (CAS 1323-39-3)
License & provenance record
Propylene Glycol Monostearate (CAS 1323-39-3) →
MolGod molecule record
Propylene Glycol Monostearate →
Source data
PubChem CID 14878 ↗
Model information
STL generated by MolGod · MolGod STL Exporter build 48804cd20b0d · generated 2026-10-14
SHA-256 (STL)
de9f2bd7fb351af9b2f3eb72291487933640241cea0ff6bdf43d15eea26f666e
MD5 (STL)
3dd9e835be6dfa8bd9d11837ffb80c05
Model identifier
MG-STL-1323-39-3
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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