Sodium benzoate

CAS 532-32-1  ·  C₇H₅NaO₂  ·  MW 144.10 g/mol

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3D model Sodium Benzoate, CAS 532-32-1, molecular formula C₇H₅NaO₂, molar mass 144.10 g/mol
About Sodium benzoate

Sodium benzoate is a chemical compound registered under number CAS 532-32-1, with the molecular formula C₇H₅NaO₂, and a molar mass of 144.10 g/mol.

The molecule contains 15 atoms connected by 15 chemical bonds. The full systematic IUPAC name of this compound is sodium benzoate. 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 formulaC₇H₅NaO₂
Molar mass144.10 g/mol
IUPACsodium benzoate
SMILESC1=CC=C(C=C1)C(=O)[O-].[Na+]
InChIKeyWXMKPNITSTVMEF-UHFFFAOYSA-M
logP (XLogP3)—
PSA40.1 Ų
HBD / HBA0 / 2
PubChem CIDCID 517055 ↗
GHS safety

Signal word: Warning

GHS07
GHS07

H319 — Causes serious eye irritation

Scientific literature

Related literature

20 articles · 10 open access · Sources: PubMed, OpenAlex, Semantic Scholar

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📈 Publication timeline (number of articles: 20)

2004: number of articles 120042009: number of articles 12011: number of articles 12012: number of articles 12016: number of articles 120162022: number of articles 12024: number of articles 12025: number of articles 22026: number of articles 112026

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
sodium benzoate · 532-32-1 · Sobenate · Antimol · Benzoic acid, sodium salt · sodium;benzoate · Benzoate sodium · Benzoate of soda · Benzoate, sodium · Natrium benzoicum · FEMA No. 3025 · Fuminaru · Benzoan sodny · Microcare sb · PUROX S
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/517055
  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 benzoate (CAS 532-32-1), C₇H₅NaO₂ - 3D ball-and-stick molecular model, engraved element symbols (C H Na O), MolGod STL previewDownload image

MG-STL-532-32-1-ENGRAVED · 232,256 △ · 11 MB · SHA-256 8388fd44a82799c7

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sodium benzoate (CAS 532-32-1), C₇H₅NaO₂ - 3D ball-and-stick molecular model, MolGod STL previewDownload image

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Model
sodium benzoate · 532-32-1
InChIKey
WXMKPNITSTVMEF-UHFFFAOYSA-M
License
CC BY-SA 4.0 International (source rights undetermined — not yet granted)
Attribution
MolGod Scientific — sodium benzoate (CAS 532-32-1)
License & provenance record
sodium benzoate (CAS 532-32-1) →
MolGod molecule record
sodium benzoate →
Source data
PubChem CID 517055 ↗
Model information
STL generated by MolGod · MolGod STL Exporter build 48804cd20b0d · generated 2026-10-14
SHA-256 (STL)
bbb4cc1d582e54344799fa3bc67e91e98d750bedfe8980602af01958ba717fcb
MD5 (STL)
da455bc6c1552d0f92d228e165eafb24
Model identifier
MG-STL-532-32-1
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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