Sodium Butyrate

CAS 156-54-7  ·  C₄H₇NaO₂  ·  MW 110.09 g/mol

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3D model Sodium Butyrate, CAS 156-54-7, molecular formula C₄H₇NaO₂, molar mass 110.09 g/mol

Model views

  • Sodium Butyrate (CAS 156-54-7) – ball-and-stick 3D model, MolGod Viewer
    ball-and-stick 3D model
  • Sodium Butyrate (CAS 156-54-7) – skeletal 3D model, MolGod Viewer
    skeletal 3D model
  • Sodium Butyrate (CAS 156-54-7) – space-filling 3D model, MolGod Viewer
    space-filling 3D model
  • Sodium Butyrate (CAS 156-54-7) – 2D structure, MolGod Viewer
    2D structure

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About Sodium Butyrate

Sodium Butyrate is a chemical compound registered under number CAS 156-54-7, with the molecular formula C₄H₇NaO₂, and a molar mass of 110.09 g/mol.

The molecule contains 14 atoms connected by 13 chemical bonds. The full systematic IUPAC name of this compound is sodium butanoate. 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 formulaC₄H₇NaO₂
Molar mass110.09 g/mol
IUPACsodium butanoate
SMILESCCCC(=O)[O-].[Na+]
InChIKeyMFBOGIVSZKQAPD-UHFFFAOYSA-M
logP (XLogP3)—
PSA40.1 Ų
HBD / HBA0 / 2
PubChem CIDCID 5222465 ↗
GHS safety

Signal word: Warning

GHS07
GHS07

H315 — Causes skin irritation

H319 — Causes serious eye irritation

H335 — May cause respiratory irritation

Scientific literature

Related literature

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

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

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

Synonyms
SODIUM BUTYRATE · 156-54-7 · Sodium butanoate · Butanoic acid, sodium salt · Butyric acid sodium salt · Butyrate sodium · Butyric acid, sodium salt · Sodium n-butyrate · Sodium propanecarboxylate · Sodium butyrate (USP) · 8RAS91C36W · Sodium butyrate [USP] · NSC-174280 · DTXCID1017672 · CHEBI:64103
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/5222465
  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)
Sodium Butyrate (CAS 156-54-7), C₄H₇NaO₂ - 3D ball-and-stick molecular model, engraved element symbols (C H Na O), MolGod STL previewDownload image

MG-STL-156-54-7-ENGRAVED · 187,270 △ · 9 MB · SHA-256 b74e827f42c4451e

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Sodium Butyrate (CAS 156-54-7), C₄H₇NaO₂ - 3D ball-and-stick molecular model, MolGod STL previewDownload image

MG-STL-156-54-7-NORMAL · 5,728 △ · 280 KB · SHA-256 975db036b3977f01

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Model
Sodium Butyrate · 156-54-7
InChIKey
MFBOGIVSZKQAPD-UHFFFAOYSA-M
License
CC BY-SA 4.0 International (source rights undetermined — not yet granted)
Attribution
MolGod Scientific — Sodium Butyrate (CAS 156-54-7)
License & provenance record
Sodium Butyrate (CAS 156-54-7) →
MolGod molecule record
Sodium Butyrate →
Source data
PubChem CID 5222465 ↗
Model information
STL generated by MolGod · MolGod STL Exporter build 48804cd20b0d · generated 2026-10-14
SHA-256 (STL)
975db036b3977f01caa19ba91175d8f353f16f129ed8c0cf548b8b67e5bc655f
MD5 (STL)
d5bd60bd8fa45b033892c2327b68b233
Model identifier
MG-STL-156-54-7
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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