Sodium Carbonate (CAS 497-19-8)

Кальцинированная сода марки А. CAS 497-19-8.

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REACH 2020/878
v5 · 21.10.2026

Section 9 — physicochemical properties: 7 of 22 established.

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3D model Sodium Carbonate, CAS 497-19-8, molecular formula CNa₂O₃, molar mass 105.988 g/mol

Model views

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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, UFF 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 3 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. Rappe AK, Casewit CJ, Colwell KS, Goddard WA III, Skiff WM. UFF, a full periodic table force field for molecular mechanics and molecular dynamics simulations. J. Am. Chem. Soc. 1992, 114, 10024-10035. doi:10.1021/ja00051a040
  5. 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
  6. 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/10340

MG-STL-497-19-8-ENGRAVED

Sodium Carbonate (CAS 497-19-8), CNa₂O₃ - 3D ball-and-stick molecular model, MolGod STL previewDownload image

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📊 Physicochemical data — CAS 497-19-8
📊 Physicochemical properties

Quick Reference

Formula: CNa₂O₃
MW: 105.988 g/mol
CAS: 497-19-8
Appearance: Grayish-white powder or lumps containing up to 99% sodium carbonate
Odour: Odorless
🔬 Advanced Properties

Chemical Identifiers

SMILES: C(=O)([O-])[O-].[Na+].[Na+]

Last updated: 2026-09-02

Chemical Overview: Sodium Carbonate
Molecular formulaCNa₂O₃[1]
Molecular weight105.988 g/mol[1]
IUPAC namedisodium;carbonate[1]
SMILESC(=O)([O-])[O-].[Na+].[Na+][1]
InChIKeyCDBYLPFSWZWCQE-UHFFFAOYSA-L[1]

Synonyms: SODIUM CARBONATE · 497-19-8 · Soda Ash · Disodium carbonate · Carbonic acid disodium salt

Data sources: PubChem (NLM/NIH)
Last updated: 2026-09-02

📚 Scientific references (Chicago Author-Date) (1 sources)
  1. PubChem. National Center for Biotechnology Information (NIH/NLM), chemical compound database. ↗ applies to: Molecular formula · Molecular weight · IUPAC name · SMILES · InChIKey

SCIENTIFIC RESEARCH

[1]PubMed2025
Fiume MM, Bergfeld WF, Belsito DV et al.. (2025). "Re-Review Summary of Sodium Sesquicarbonate, Sodium Carbonate, and Sodium Bicarbonate as Used in Cosmetics.". International journal of toxicology. ht
[2]PubMed2023
Chen M, He T, Liang X et al.. (2023). "Efficient transformation of hydroxylamine from wastewater after supplementation with sodium carbonate or calcium bicarbonate.". Ecotoxicology and environmental s
[3]CrossRef2018
Yasuyuki Watanabe, Izumi Hirasawa. (2018). "Eutectic Composition of a Salt Hydrate Mixture of Sodium Carbonate and Disodium Hydrogen Phosphate". KAGAKU KOGAKU RONBUNSHU. https://doi.org/10.1252/kakoro
[4]CrossRef2013
Jolanta Prywer, Marcin Olszynski. (2013). "Influence of disodium EDTA on the nucleation and growth of struvite and carbonate apatite". Journal of Crystal Growth. https://doi.org/10.1016/j.jcrysgro.201
[5]Doaj2013
EFSA Panel on Food Contact Materials, Enzymes, Flavourings and Processing Aids (CEF). (2013). "Scientific Opinion on the safety evaluation of the active substances, sodium carbonate peroxyhydrate coat
[6]CrossRef2003
(2003). "Disodium Ethylenediaminetetraacetate (Disodium EDTA)". Food Additives Data Book. https://doi.org/10.1002/9780470995327.ch308
[7]CrossRef1987
Tatsuhiko Ejima, Yuzuru Sato, Tsutomu Yamamura et al.. (1987). "Viscosity of the eutectic dilithium carbonate-disodium carbonate-dipotassium carbonate melt". Journal of Chemical & Engineering Data. ht
[8]CrossRef1974
Kohei Kojima. (1974). "Safety evaluation of disodium 5′-inosinate, disodium 5′-guanylate and disodium 5′-ribonucleotide". Toxicology. https://doi.org/10.1016/0300-483x(74)90009-2
📚 Scientific references (Chicago Author-Date) 16 refs · 3 baz

MOLECULE Per-CAS bibliography (live from 13+ databases)

Sources: db:pubmed (2) · db:crossref (15) · db:doaj (1)

  1. db:pubmed Fiume MM, Bergfeld WF, Belsito DV et al.. (2025). "Re-Review Summary of Sodium Sesquicarbonate, Sodium Carbonate, and Sodium Bicarbonate as Used in Cosmetics.". International journal of toxicology. https://doi.org/10.1177/10915818251361098 →
  2. db:crossref Yasuyuki Watanabe, Izumi Hirasawa. (2018). "Eutectic Composition of a Salt Hydrate Mixture of Sodium Carbonate and Disodium Hydrogen Phosphate". KAGAKU KOGAKU RONBUNSHU. https://doi.org/10.1252/kakoronbunshu.44.207 →
  3. db:crossref Jolanta Prywer, Marcin Olszynski. (2013). "Influence of disodium EDTA on the nucleation and growth of struvite and carbonate apatite". Journal of Crystal Growth. https://doi.org/10.1016/j.jcrysgro.2013.04.027 →
  4. db:crossref (2003). "Disodium Ethylenediaminetetraacetate (Disodium EDTA)". Food Additives Data Book. https://doi.org/10.1002/9780470995327.ch308 →
  5. db:crossref Tatsuhiko Ejima, Yuzuru Sato, Tsutomu Yamamura et al.. (1987). "Viscosity of the eutectic dilithium carbonate-disodium carbonate-dipotassium carbonate melt". Journal of Chemical & Engineering Data. https://doi.org/10.1021/je00048a016 →
  6. db:crossref Kohei Kojima. (1974). "Safety evaluation of disodium 5′-inosinate, disodium 5′-guanylate and disodium 5′-ribonucleotide". Toxicology. https://doi.org/10.1016/0300-483x(74)90009-2 →
  7. db:crossref R.W. Henningson. (1960). "Chemical Stability of Disodium Phenyl Phosphate in Carbonate-Bicarbonate Buffer". Journal of Dairy Science. https://doi.org/10.3168/jds.s0022-0302(60)90236-8 →
  8. db:crossref (0). "Specification for diSodium tetraborate dechydrate, diSidium pentahydrate and anhydrous diSodium tetraborate (technical grades)". https://doi.org/10.3403/30308633 →
  9. db:crossref (0). "Edetate Disodium". https://doi.org/10.31003/uspnf_r1975_01_01 →
  10. db:crossref (0). "Calcium Disodium EDTA". https://doi.org/10.31003/fcc_f100915_04_01 →
  11. db:crossref (0). "Edetate Disodium". https://doi.org/10.31003/uspnf_m28970_04_01 →
  12. db:crossref (0). "Cefotetan Disodium". https://doi.org/10.31003/uspnf_m14096_03_01 →
  13. db:crossref (0). "Etidronate Disodium". https://doi.org/10.31003/uspnf_m32350_06_01 →
  14. db:crossref (0). "Balsalazide Disodium". https://doi.org/10.31003/uspnf_m6988_05_01 →
  15. db:crossref (0). "pamidronate disodium". https://doi.org/10.18578/bnfc.377047875 →
  16. db:crossref (0). "Disodium EDTA". https://doi.org/10.31003/fcc_f100958_04_01 →
Regulatory status of the substance
This substance is subject to regulatory requirements: hazardous waste management (BDO — national rule, Poland). Details in the "Regulatory Status (REACH/ECHA/CLP)" section and on the SDS. Regulatory information — does not restrict purchase in this store.
🧮 Stoichiometry Calculator
🧪 Chemical Data
CAS Number
497-19-8
Molecular formula
CNa₂O₃
Molar mass
105.988 g/mol
IUPAC name (EN)
disodium;carbonate
SMILES
C(=O)([O-])[O-].[Na+].[Na+]
InChIKey
CDBYLPFSWZWCQE-UHFFFAOYSA-L
📡 Data sources

The data in this widget comes from the following verified scientific sources:

  • PubChem — National Center for Biotechnology Information (NCBI/NIH), USA
  • ChEMBL — European Bioinformatics Institute (EMBL-EBI), UK
  • NIST WebBook — National Institute of Standards and Technology, USA

Data is cached locally for speed — the widget also works offline.

⚗️ Physicochemical properties
Density
2.505

Source: PubChem, NIST WebBook. Last updated: 2026-09-02

🔍 External identifiers
13 of 16 ID systems81%
DatabaseIdentifierActions
CAS Registry Number497-19-8Open →
PubChem CID10340[1]Open →
InChIKeyCDBYLPFSWZWCQE-UHFFFAOYSA-L[1]Open →
InChIInChI=1S/CH2O3.2Na/c2-1(3)4;;/h(H2,2,3,4);;/q;2*…[1]
SMILESC(=O)([O-])[O-].[Na+].[Na+][1]
EC Number207-838-8[2]Open →
ChEMBLCHEMBL186314[3]Open →
DrugBankDB09460Open →
HMDBHMDB0303516Open →
ChemSpider9916[4]Open →
UNII (FDA)45P3261C7TOpen →
NSC Number (NCI)156204Open →
WikiData QIDQ190227Open →

Sources: PubChem (NIH), Wikidata SPARQL, KEGG, ChEMBL (EBI), CompTox CTX (EPA).

📚 Scientific references (Chicago Author-Date) (4 sources)
  1. PubChem. National Center for Biotechnology Information (NIH/NLM), chemical compound database. ↗ applies to: PubChem CID · InChIKey · InChI · SMILES
  2. ECHA. EC Inventory — EINECS, ELINCS, NLP and List Numbers assigned under REACH. Helsinki: European Chemicals Agency. ↗ applies to: EC Number
  3. ChEMBL. European Bioinformatics Institute (EMBL-EBI), bioactivity database. ↗ applies to: ChEMBL
  4. ChemSpider. Royal Society of Chemistry, chemical structure database. ↗ applies to: ChemSpider

Further reading

Publications thematically related to this CAS. They are not the source of any value shown on this card.

Extended Bibliography (7)

  1. ★★★★☆ OPENLIBRARY 🔓 OPEN Ted Lister, C. Osborne. 2000. "Sodium Carbonate." Royal Society of Chemistry. link [accessed: 2026-11-05] CC0 (metadata)
  2. ★★☆☆☆ Crossref 🔓 OPEN ❓ unverified Anonymous. "Photography. Processing chemicals. Specification for anhydrous sodium carbonate and sodium carbonate monohydrate.". https://doi.org/10.3403/00457644u. link [accessed: 2026-11-05] CC0 (metadata)
  3. ★★☆☆☆ Crossref 🔓 OPEN ❓ unverified Anonymous. "Photography. Processing chemicals. Specification for anhydrous sodium carbonate and sodium carbonate monohydrate.". https://doi.org/10.3403/00457644. link [accessed: 2026-11-05] CC0 (metadata)
  4. ★★☆☆☆ Crossref 🔓 OPEN ❓ unverified Anonymous. "Sodium Carbonate.". https://doi.org/10.31003/uspnf_m76010_03_01. link [accessed: 2026-11-05] CC0 (metadata)
  5. ★★☆☆☆ Crossref 🔓 OPEN ❓ unverified Anonymous. "Sodium Carbonate.". https://doi.org/10.31003/uspnf_x2r2449_01_01. link [accessed: 2026-11-05] CC0 (metadata)
  6. ★★☆☆☆ Crossref 🔓 OPEN ❓ unverified Anonymous. "Sodium Carbonate.". https://doi.org/10.31003/fcc_f100548_03_01. link [accessed: 2026-11-05] CC0 (metadata)
  7. ★☆☆☆☆ OPENLIBRARY 🔓 OPEN Imperial Chemical Industries, ltd.. 1937. "Sodium carbonate for metal refining." Imperial chemical industries limited. link [accessed: 2026-11-05] CC0 (metadata)
📡 Spectroscopy — CAS 497-19-8
📊 Spectroscopic spectra databases — inline data 8 sources

Spectra are fetched on demand from 9 sources. Each spectrum is stored in our database — the next time it is opened there are zero requests to the external API. Download JCAMP-DX / CSV / PNG for every spectrum without searching.

IR IR (Infrared) — NIST WebBook
Public domain (US Federal)
▶ Click to load spectrum
🔗 Source
— points
📚 NIST Chemistry WebBook, SRD 69
MS (NIST) Mass Spectrum (EI) — NIST WebBook
Public domain (US Federal)
▶ Click to load spectrum
🔗 Source
— points
📚 NIST Standard Reference Database 1A
UV-Vis UV/Visible Absorption — NIST WebBook
Public domain (US Federal)
▶ Click to load spectrum
🔗 Source
— points
📚 NIST Chemistry WebBook, SRD 69
MS (MoNA) MoNA — MassBank of North America
CC-BY 4.0
▶ Click to load spectrum
🔗 Source
— points
📚 MassBank of North America (UC Davis) DOI: 10.1002/jms.1777
IR/NMR/MS (SDBS) SDBS — Spectral Database for Organic Compounds (Japan AIST)
Free for non-commercial

Reference source — no public API. Open in an external database:

🔗 IR/NMR/MS (SDBS) →
📚 SDBSWeb: https://sdbs.db.aist.go.jp (AIST, Japan)
JP Monograph Japanese Pharmacopoeia — Monographs
Reference only

Reference source — no public API. Open in an external database:

🔗 JP Monograph →
📚 Japanese Pharmacopoeia 18th Edition (2021)
WHO INN WHO — International Nonproprietary Names
WHO Model Lists (free)

Reference source — no public API. Open in an external database:

🔗 WHO INN →
📚 WHO INN Programme
DOAJ DOAJ — Directory of Open Access Journals
OA journal index (mixed)

Reference source — no public API. Open in an external database:

🔗 DOAJ →
📚 DOAJ — doaj.org
🔬 Interactive spectra (live — NIST / MoNA / NMRShiftDB / SDBS) (2)

Data retrieved live from multiple sources (priority chain). JCAMP-DX / CSV / PNG available for download under each spectrum.

IR — Fourier-transform infrared

Loading IR — Fourier-transform infrared…

MS — Mass spectrometry (EI 70eV)

Loading MS — Mass spectrometry (EI 70eV)…

Structural properties
ParameterValueUnit
Molecular formulaCNa2O3
Molar mass105.988g/mol
Exact mass105.96428242Da
Monoisotopic mass105.96428242Da
Topological polar surface area (TPSA)63.2000Ų
Complexity index18.8
Hydrogen bond donors0
Hydrogen bond acceptors3
Rotatable bonds0
Heavy atoms6
Stereocentres (atoms)0
Stereocentres (bonds)0
Number of 3D conformers0

Source: PubChem Computed Properties, CID 10340

❓ Frequently asked questions (3)
What is Sodium Carbonate?
Sodium Carbonate (CAS 497-19-8) is a chemical compound. The chemical data comes from PubChem (National Institutes of Health, USA).
Helpful?
What is the CAS number of Sodium Carbonate?
The CAS number for Sodium Carbonate is 497-19-8. A CAS Registry Number is the standard identifier for a chemical substance in scientific literature and in trade.
Helpful?
How should Sodium Carbonate be stored?
Sodium Carbonate should be stored as its safety data sheet directs — typically in a dry, cool, well-ventilated place, away from heat and from materials it is incompatible with.
Helpful?
➕ Suggest a question
Download structure files

Molecular structure files from the PubChem database (NIH). Compatible with Avogadro, PyMOL, Jmol, and ChemDraw.

Source: PubChem, National Library of Medicine (NIH). CID: 10340

🔄 Concentration unit converter LIVE

Enter the Sodium Carbonate concentration in any unit — the rest will be calculated automatically.

MW: 105.988 g/mol · IUPAC Gold Book ↗

⚗️ Conversion formulas + citations (per formula)
ConversionFormulaAccuracySource
% (w/v) ↔ molarityc (mol/L) = (% × 10) / MW±0.5% rel. when density ≈ 1.0 g/mLIUPAC (2019)
millimolar ↔ molarc (mol/L) = mM × 10⁻³ExactCohen ER, Cvitaš T, Frey JG, Holmström B, Kuchitsu K, Marquardt R, Mills I, Pavese F, Quack M, Stohner J, Strauss HL, Takami M, Thor AJ (2007)
molarity (mol/L)c = n/V = (m/MW)/V±0.1% (depends on MW precision)IUPAC (2019)
parts per million (mg/L) ↔ molarityc (mol/L) = ppm / (1000 × MW); equivalently ppm = mg/L for dilute aqueous±1% (density-independent for dilute solutions)IUPAC (2019)
mg/mL ↔ molarityc (mol/L) = (mg/mL × 1000) / MW / 1000 = mg/mL / MW × 1±0.2%Cohen ER, Cvitaš T, Frey JG, Holmström B, Kuchitsu K, Marquardt R, Mills I, Pavese F, Quack M, Stohner J, Strauss HL, Takami M, Thor AJ (2007)
g/L ↔ molarityc (mol/L) = (g/L) / MW±0.1% (depends on MW precision)Cohen ER, Cvitaš T, Frey JG, Holmström B, Kuchitsu K, Marquardt R, Mills I, Pavese F, Quack M, Stohner J, Strauss HL, Takami M, Thor AJ (2007)
mmol/L ↔ molarityc (mol/L) = mmol/L × 10⁻³ExactCohen ER, Cvitaš T, Frey JG, Holmström B, Kuchitsu K, Marquardt R, Mills I, Pavese F, Quack M, Stohner J, Strauss HL, Takami M, Thor AJ (2007)
Celsius ↔ KelvinT(K) = t(°C) + 273.15±0.01 K (ITS-90 scale)BIPM (Bureau International des Poids et Mesures) (2019)
Celsius ↔ FahrenheitT(°F) = T(°C) × 9/5 + 32±0.1 °FThompson A, Taylor BN (2008)
density-corrected % ↔ molarityc (mol/L) = (%w/w × ρ × 10) / MW, ρ in g/mL±0.1% when ρ known to 3 decimalsCohen ER, Cvitaš T, Frey JG, Holmström B, Kuchitsu K, Marquardt R, Mills I, Pavese F, Quack M, Stohner J, Strauss HL, Takami M, Thor AJ (2007)
📚 Bibliography (8 authoritative sources)
  1. Thompson A, Taylor BN (2008). Guide for the Use of the International System of Units (SI). NIST Special Publication 811 · DOI: 10.6028/NIST.SP.811e2008
    → Primary SI standard for US scientific usage
  2. Cohen ER, Cvitaš T, Frey JG, Holmström B, Kuchitsu K, Marquardt R, Mills I, Pavese F, Quack M, Stohner J, Strauss HL, Takami M, Thor AJ (2007). Quantities, Units and Symbols in Physical Chemistry — The IUPAC Green Book. RSC Publishing, 3rd ed. · DOI: 10.1039/9781847557889 · ISBN: 978-0-85404-433-7
    → Canonical IUPAC guide for chemistry quantities/units
  3. BIPM (Bureau International des Poids et Mesures) (2019). The International System of Units (SI), 9th edition. BIPM · ↗
    → International SI definitions (incl. redefined kilogram 2019)
  4. ISO/IEC (2022). Quantities and units — Part 1: General. International Organization for Standardization — ISO 80000-1:2022 · ↗
    → General rules for physical quantities and units
  5. ISO/IEC (2019). Quantities and units — Part 9: Physical chemistry and molecular physics. International Organization for Standardization — ISO 80000-9:2019 · ↗
    → Concentration / molality / amount-of-substance conventions
  6. Tiesinga E, Mohr PJ, Newell DB, Taylor BN (2021). CODATA recommended values of the fundamental physical constants: 2018. Rev. Mod. Phys. 93(2):025010 · DOI: 10.1103/RevModPhys.93.025010
    → Avogadro, gas constant, molar volume (2019 SI revision)
  7. IUPAC (2019). Compendium of Chemical Terminology — the IUPAC Gold Book (online). IUPAC · DOI: 10.1351/goldbook
    → Definitions of mass fraction, molality, normality, ppm, activity
  8. Mills IM, Cvitaš T, Homann K, Kallay N, Kuchitsu K (1988). Quantities, Units and Symbols in Physical Chemistry. Blackwell Scientific Publications, 1st ed. · ISBN: 0-632-01773-5
    → Historical predecessor of IUPAC Green Book
Similar molecular structures

Loading similar structures...

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Calculations per: IUPAC Gold Book ↗, Merck ↗

Computational chemistry

Molecular descriptors

ParameterValueUnit
Topological polar surface area (TPSA)63.20Ų
Complexity index18.8
Formal charge0
neutral molecule

Shape and volume

ParameterValueUnit
Rotatable bonds0
Heavy atoms6

Source: PubChem Computed Properties, CID 10340

🛡️ Safety — CAS 497-19-8
Data limitations notice. The safety information on this page is for reference only and does not replace a full safety data sheet (SDS). Before using the product, consult the manufacturer's current safety data sheet and the GHS/CLP guidance. The CLP classification applies to the pure bulk substance, not to commercial formulations.

GHS/CLP classification — Regulation (EC) No 1272/2008 + UN GHS Rev. 9 (2021).

⚠ Warning
GHS07 — Irritant / harmful
GHS07 Irritant / harmful

🚨 Hazard statements (H)

  • H319 — Causes serious eye irritation

🛡 Precautionary statements (P)

  • P264 — Wash thoroughly after handling
  • P280 — Wear protective gloves/protective clothing/eye protection/face protection
  • P305+P351+P338 — IF IN EYES: Rinse cautiously with water for several minutes; Remove contact lenses, if present and easy to do. Continue rinsing
  • P337+P313 — If eye irritation persists: Get medical advice/attention
  • P501 — Dispose of contents/container to an approved waste collection point

✓ Harmonised classification pursuant to Annex VI of the CLP Regulation (EC) 1272/2008 (official, binding classification). Index number: 011-005-00-2.

Reference (Chicago): European Chemicals Agency. "sodium carbonate, Index No. 011-005-00-2." In Table 3 of Annex VI to Regulation (EC) No 1272/2008 (CLP Regulation), 23rd Adaptation to Technical Progress (harmonised list as of 2026-07-07). Helsinki: European Chemicals Agency, 2026. https://echa.europa.eu/information-on-chemicals/annex-vi-to-clp.

Translations: CLP Regulation (EC) 1272/2008, Annexes III and IV. Data: PubChem/NLM.

📚 Consolidated scientific references — Chicago Author-Date 10 sources

References collected from all Safety Hub tabs. CAS: 497-19-8 · PubChem ↗

  1. Parlament Europejski i Rada UE. 2008. "Regulation (EC) nr 1272/2008 w sprawie klasyfikacji, oznakowania i pakowania substancji (CLP)." Dz.Urz. UE L 353. [↗] GHS, Regulations
  2. United Nations Economic Commission for Europe (UNECE). 2021. "Globally Harmonized System of Classification and Labelling of Chemicals (GHS), Ninth Revised Edition." United Nations, Geneva. [↗] GHS
  3. Goldfrank, Lewis R., Robert S. Hoffman, Mary Ann Howland, et al.. 2019. "Goldfrank's Toxicologic Emergencies, 11th ed.." McGraw-Hill Education, New York. ISBN 978-1-25-985961-8. First aid, Toxicology
  4. National Institute for Occupational Safety and Health (NIOSH). 2023. "NIOSH Pocket Guide to Chemical Hazards (DHHS Publ. 2005-149)." U.S. Department of Health and Human Services / CDC, Cincinnati, OH. [↗] First aid, PPE, Toxicology
  5. European Committee for Standardization (CEN). 2016. "EN 374-1:2016 — Protective gloves against dangerous chemicals and micro-organisms." CEN, Brussels. [↗] PPE
  6. UNECE. 2023. "European Agreement Concerning the International Carriage of Dangerous Goods by Road (ADR 2025)." United Nations, Geneva. [↗] Disposal, Regulations
  7. National Fire Protection Association (NFPA). 2022. "NFPA 400 — Hazardous Materials Code." NFPA, Quincy, MA. [↗] Storage
  8. Urben, P.G. (ed.). 2017. "Bretherick's Handbook of Reactive Chemical Hazards, 8th ed.." Butterworth-Heinemann / Elsevier, Oxford. [↗] Storage
  9. Ministerstwo Klimatu i Środowiska RP. 2023. "Baza danych o produktach i opakowaniach oraz o gospodarce odpadami (BDO)." Ministerstwo Klimatu i Środowiska, Warszawa. National rules — Poland [↗] Disposal
  10. International Agency for Research on Cancer (IARC / WHO). 2024. "IARC Monographs on the Identification of Carcinogenic Hazards to Humans — List of Classifications." WHO, Lyon. [↗] Toxicology

Tabs with their own references (Emergency, PPE, Storage, Waste) contain additional bibliographic entries within their respective sections.

📈 Analytical statistics (t-test · RSD · Grubbs · Q-Dixon) ICH Q2

Paste a series of replicate measurements (CSV, or one number per line). The calculator computes the mean, standard deviation and 95% CI, and detects outliers (Grubbs + Dixon Q).

Separator: comma, space, tab, new line. Minimum 3 measurements.
📐 Statistical formulas
  • x̄ = Σxᵢ / n — arithmetic mean
  • s² = Σ(xᵢ - x̄)² / (n-1) — sample variance
  • s = √s² — standard deviation
  • RSD% = (s / x̄) × 100% — relative standard deviation
  • CI₉₅ = x̄ ± t(0.05, n-1) × s / √n — Student's t
  • G = |xᵢ - x̄| / s — Grubbs' test
  • Q = |xsuspect - xnearest| / |xmax - xmin| — Dixon Q-test

Source: ICH Q2(R2) Validation of Analytical Procedures · ICH PDF ↗

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Pharmacological Status

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ChEMBL CHEMBL186314 ↗

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🧪 Solubility and solvent compatibility
Molecule
Sodium Carbonate
Formula
CNa₂O₃
logP (XLogP3)
—
Mass (g/mol)
105.988
Polarity
—

⚠️ GC estimate (Hoftyzer–Van Krevelen). No literature HSP data for this CAS — precision ±2 MPa½. Verify experimentally.

Solvent compatibility table not available for this substance.
The Hansen parameters fall outside the range of the method, so the distance Ra cannot be calculated, and the database holds no solubility measurement to put in its place. Rather than eleven ratings with nothing behind them, we show none. Base the solvent choice on the safety data sheet and on experimental data.
📚 Scientific references for solvents (Chicago Author-Date) — click to expand

11 solvents · 54 full citations (NIST/CRC/IARC/Hansen/Reichardt/Smallwood/Wypych/Armarego/Snyder/GESTIS) — below.

Water (H₂O)
  1. NIST — NIST Chemistry WebBook — Water (CAS 7732-18-5)
  2. CRC — CRC Handbook of Chemistry and Physics, 104th ed., Sec. 8 (Properties of Water)
  3. IAPWS — IAPWS Release on Static Dielectric Constant of Water
  4. Reichardt 2011 — Solvents and Solvent Effects in Organic Chemistry
  5. GESTIS — GESTIS Substance Database — Water
Ethanol (EtOH)
  1. NIST — NIST Chemistry WebBook — Ethanol (CAS 64-17-5)
  2. CRC — CRC Handbook — Ethanol physical constants
  3. Snyder & Kirkland — Modern Liquid Chromatography — Ethanol eluotropic
  4. Smallwood — Handbook of Organic Solvent Properties — Ethanol
  5. GESTIS — GESTIS Substance Database — Ethanol
Methanol (MeOH)
  1. NIST — NIST Chemistry WebBook — Methanol (CAS 67-56-1)
  2. CRC — CRC Handbook — Methanol physical constants
  3. Snyder & Kirkland — Modern Liquid Chromatography — MeOH eluotropic, eo=0.95
  4. GESTIS — GESTIS Substance Database — Methanol
Acetone
  1. NIST — NIST Chemistry WebBook — Acetone (CAS 67-64-1)
  2. CRC — CRC Handbook — Acetone physical & thermodynamic constants
  3. Hansen 2007 — Hansen Solubility Parameters — Acetone (dD=15.5, dP=10.4, dH=7.0)
  4. Smallwood — Handbook of Organic Solvent Properties — Acetone
  5. GESTIS — GESTIS Substance Database — Acetone
Acetonitrile (ACN)
  1. NIST — NIST Chemistry WebBook — Acetonitrile (CAS 75-05-8)
  2. CRC — CRC Handbook — Acetonitrile constants
  3. Snyder & Kirkland — Modern Liquid Chromatography — ACN gold-standard HPLC eluent
  4. Reichardt 2011 — Solvents and Solvent Effects — ACN dipolar aprotic
  5. GESTIS — GESTIS Substance Database — Acetonitrile
DMSO
  1. NIST — NIST Chemistry WebBook — DMSO (CAS 67-68-5)
  2. Wypych 2019 — Handbook of Solvents Vol. 1 — DMSO comprehensive properties
  3. Hansen 2007 — HSP — DMSO (dD=18.4, dP=16.4, dH=10.2)
  4. Reichardt 2011 — Solvents and Solvent Effects — DMSO E_T(30)=45.1, dipolar aprotic
  5. GESTIS — GESTIS Substance Database — DMSO
THF
  1. NIST — NIST Chemistry WebBook — THF (CAS 109-99-9)
  2. Armarego 2009 — Purification of Laboratory Chemicals — THF drying & peroxide test
  3. Hansen 2007 — Hansen Solubility Parameters — THF (dD=16.8, dP=5.7, dH=8.0)
  4. Smallwood — Handbook of Organic Solvent Properties — THF
  5. GESTIS — GESTIS Substance Database — Tetrahydrofuran
DCM (CH₂Cl₂)
  1. NIST — NIST Chemistry WebBook — Dichloromethane (CAS 75-09-2)
  2. IARC 71 — IARC Monograph 71 — DCM (Group 2A carcinogen)
  3. Hansen 2007 — Hansen Solubility Parameters — DCM (dD=18.2, dP=6.3, dH=6.1)
  4. Reichardt 2011 — Solvents and Solvent Effects — DCM polarity index
  5. GESTIS — GESTIS Substance Database — Dichloromethane
Chloroform (CHCl₃)
  1. NIST — NIST Chemistry WebBook — Chloroform (CAS 67-66-3)
  2. IARC 73 — IARC Monograph 73 — Chloroform (Group 2B carcinogen)
  3. Hansen 2007 — Hansen Solubility Parameters — CHCl3 (dD=17.8, dP=3.1, dH=5.7)
  4. Reichardt 2011 — Solvents and Solvent Effects — CHCl3 H-bond donor strength
  5. GESTIS — GESTIS Substance Database — Chloroform
n-Hexane
  1. NIST — NIST Chemistry WebBook — n-Hexane (CAS 110-54-3)
  2. ATSDR n-Hexane — ATSDR Toxicological Profile for n-Hexane — peripheral neuropathy (n-hexane is NOT an IARC carcinogen)
  3. Hansen 2007 — Hansen Solubility Parameters — n-Hexane (dD=14.9, dP=0, dH=0)
  4. Snyder & Kirkland — Modern Liquid Chromatography — n-Hexane NP standard, eo=0.00
  5. GESTIS — GESTIS Substance Database — n-Hexane
Toluene
  1. NIST — NIST Chemistry WebBook — Toluene (CAS 108-88-3)
  2. IARC 71 — IARC Monograph 71 — Toluene
  3. Hansen 2007 — Hansen Solubility Parameters — Toluene (dD=18.0, dP=1.4, dH=2.0)
  4. Smallwood — Handbook of Organic Solvent Properties — Toluene
  5. GESTIS — GESTIS Substance Database — Toluene
Solubility theory (applied in compatibility prediction):
  1. Yalkowsky, Samuel H., and Shri C. Valvani. 1980. "Solubility and Partitioning I: Solubility of Nonelectrolytes in Water." Journal of Pharmaceutical Sciences 69 (8): 912–922. https://doi.org/10.1002/jps.2600690814 — General Solubility Equation (GSE): logS = 0.5 − logP − 0.01(MP−25).
  2. Hansen, Charles M. 2007. Hansen Solubility Parameters: A User's Handbook. 2nd ed. CRC Press. https://doi.org/10.1201/9781420006834 — HSP triplet (dD, dP, dH) + Ra formula.
  3. Stefanis, E., and C. Panayiotou. 2008. "Prediction of Hansen Solubility Parameters with a New Group-Contribution Method." Int J Thermophys 29: 568–585. https://doi.org/10.1007/s10765-008-0415-z
  4. Reichardt, Christian, and Thomas Welton. 2011. Solvents and Solvent Effects in Organic Chemistry. 4th ed. Wiley-VCH. https://doi.org/10.1002/9783527632220 — E_T(30) polarity scale, solvatochromism.
  5. Snyder, Lloyd R., Joseph J. Kirkland, and John W. Dolan. 2010. Introduction to Modern Liquid Chromatography. 3rd ed. Wiley. https://doi.org/10.1002/9780470508183 — Eluotropic series, polarity index.
  6. Van Krevelen, D. W., and K. Te Nijenhuis. 2009. Properties of Polymers. 4th ed. Elsevier. https://doi.org/10.1016/B978-0-08-054819-7.X0001-5 — Hoftyzer–Van Krevelen group contribution for dD/dP/dH from SMILES.
  7. Marcus, Yizhak. 1998. The Properties of Solvents. Wiley Series in Solution Chemistry, Vol. 4. ISBN 9780471983699 — Complete tabular set of 250+ solvents (ε, μ, donicity, acceptor numbers).
  8. PubChem Compound Database — CAS 497-19-8 lookup ↗ — logP (XLogP3), water solubility experimental + predicted.

Full bibliography in the REFERENCES accordion (at the bottom of the page) — Chicago Manual of Style 17th ed., Author-Date.

⚗️ Check reaction compatibility
1 0 0
Health: 1/4
Flammability: 0/4
Reactivity: 0/4
Per NFPA 704 / calculated from H-codes

Check whether Sodium Carbonate is compatible with another reagent

📦 Storage compatibility matrix
Acids Bases Oxidizers Flammable Toxic Gazy
Acids ✓ ✗ ✗ ✗ ⚠ ✗
Bases ✗ ✓ ⚠ ⚠ ⚠ ⚠
Oxidizers ✗ ⚠ ✓ ✗ ⚠ ✗
Flammable ✗ ⚠ ✗ ✓ ⚠ ✗
Toxic ⚠ ⚠ ⚠ ⚠ ✓ ⚠
Gazy ✗ ⚠ ✗ ✗ ⚠ ✓
✓ Can be stored together · ⚠ Caution · ✗ Do NOT store together · OSHA Chemical Segregation ↗

Compatibility data from: Bretherick's Handbook (7th ed.) ↗, GESTIS ↗, ECHA REACH ↗, NFPA 704 ↗

🧮 Laboratory calculators (8)
Dilution (C₁V₁=C₂V₂)
Molarity (M=n/V)
pH Buffer (Henderson-Hasselbalch)
Beer-Lambert (A=εcl)
Mass → Moles
Concentration % → M
ppm → mg/L
Temperature C↔F↔K

Verified formulas: IUPAC Gold Book ↗, DOI ↗

📊 Spectroscopic Databases
📋 Laboratory protocol generator

Protocol generated based on: GHS SDS, Aldrich Lab Guide ↗

🏷️ Label generator (QR)
Sodium Carbonate• Soda Ash / Disodium carbonate• IUPAC: disodium;carbonate• CAS: 497-19-8• EC: 207-838-8• Formula: CNa2O3• Mass: 105.988 g/molWARNINGGHS HAZARD STATEMENTS:H319: Causes serious eye irritationP305+P351+P338 P337+P313 P280 P501 P264FOR LABORATORY USE ONLY!Nonsensia Ltd124-128 City Road, EC1V 2NX London[email protected]molgod.orgBatch No.: Net Mass:
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📚 Scientific literature overview — CAS 497-19-8
⭐ Key findings (scientific literature) 3 publications
🏆 CAS 497-19-8 — multi-criteria ranking (W12): 30% citations · 20% recency · 20% topic · 15% historical · 15% open access.
  1. #1
    Yasuyuki Watanabe, Izumi Hirasawa (2018) · KAGAKU KOGAKU RONBUNSHU
    Why it matters: Selected by multi-criteria score (citations + recency + topic + historical + OA).
    SCORE 4.94 Mechanism Citations: 6 DOI ↗
  2. #2
    Tatsuhiko Ejima, Yuzuru Sato, Tsutomu Yamamura et al. (1987) · Journal of Chemical & Engineering Data
    Why it matters: Selected by multi-criteria score (citations + recency + topic + historical + OA).
    SCORE 4.93 Mechanism Citations: 43 DOI ↗
  3. #3
    Fiume MM, Bergfeld WF, Belsito DV et al. (2025) · International journal of toxicology
    Why it matters: Recent (2025) · review
    SCORE 4 Review DOI ↗ PubMed ↗

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Кальцинированная сода марки А — CAS 497-19-8. Prepared from the supplier’s public catalogue; not verified against their internal data.

📄 Certificates of Analysis (CoA) CAS 497-19-8 none

No certificates for this product in the database.

📚 Scientific references (Chicago Author-Date) — click to expand

Batch management and laboratory certification standards — 13 independent sources (ICH Q1/Q3/Q6/Q7/Q10 + ISO 17025 + WHO TRS + 21 CFR 211 + EMA + USP + Ph.Eur. + PIC/S + IPEC-PQG).

  1. International Council for Harmonisation (ICH). 2000. "Q7 Good Manufacturing Practice Guide for Active Pharmaceutical Ingredients." ICH Expert Working Group. [link ↗] — GMP for APIs — adopted by EMA, FDA, MHLW
  2. International Organization for Standardization. 2017. "ISO/IEC 17025:2017 General requirements for the competence of testing and calibration laboratories." ISO. [link ↗] — Lab accreditation standard underpinning every CoA
  3. World Health Organization. 2010. "WHO Good Manufacturing Practices for Pharmaceutical Products: Main Principles (WHO Technical Report Series No. 957, Annex 3)." WHO Press. [link ↗] — WHO TRS No. 957 — global reference for GMP
  4. International Council for Harmonisation (ICH). 2003. "ICH Q1A(R2): Stability Testing of New Drug Substances and Products." International Council for Harmonisation. [link ↗] — Source for batch shelf-life and retest dating
  5. International Council for Harmonisation (ICH). 2006. "ICH Q3A(R2): Impurities in New Drug Substances." ICH. [link ↗]
  6. International Council for Harmonisation (ICH). 1999. "ICH Q6A: Specifications for New Drug Substances and Products." ICH. [link ↗] — CoA acceptance-criteria specification standard
  7. International Council for Harmonisation (ICH). 2008. "ICH Q10: Pharmaceutical Quality System." ICH. [link ↗]
  8. U.S. Food and Drug Administration. 2024. "21 CFR Part 211: Current Good Manufacturing Practice for Finished Pharmaceuticals." US Code of Federal Regulations. [link ↗] — US legal mandate (Subpart J — Records and Reports)
  9. European Medicines Agency. 2014. "Guideline on Process Validation for Finished Products — Information and Data to Be Provided EMA/CHMP/CVMP/QWP/BWP/70278/2012." European Medicines Agency. [link ↗]
  10. United States Pharmacopeial Convention. 2024. "United States Pharmacopeia and National Formulary, USP 47-NF 42." USP. [link ↗]
  11. European Pharmacopoeia Commission. 2024. "European Pharmacopoeia 11th Edition." Council of Europe — EDQM. [link ↗]
  12. Pharmaceutical Inspection Co-operation Scheme (PIC/S). 2021. "Guide to Good Manufacturing Practice for Medicinal Products PE 009-15." PIC/S Secretariat, Geneva. [link ↗] — Cross-recognized GMP for 54 inspectorates worldwide
  13. International Pharmaceutical Excipients Council (IPEC) and Pharmaceutical Quality Group (PQG). 2017. "Joint IPEC-PQG Good Manufacturing Practices Guide for Pharmaceutical Excipients." IPEC-Americas. [link ↗] — Excipient-grade CoA standard for non-API ingredients
Data from PubChemSource: PubChem (NIH) · ChEMBL
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📚 REFERENCES (Aggregate bibliography, Chicago Author-Date) 78 items

All scientific sources cited in the accordions above for CAS 497-19-8. Format: Chicago Manual of Style 17th ed., Author-Date system.

🗄️ Scientific databases

  1. NIST. n.d. NIST Chemistry WebBook: CAS 497-19-8. Gaithersburg, MD: National Institute of Standards and Technology. https://webbook.nist.gov/cgi/cbook.cgi?ID=497-19-8.
  2. AIST. n.d. Spectral Database for Organic Compounds (SDBS): CAS 497-19-8. Tsukuba, Japan: National Institute of Advanced Industrial Science and Technology. https://sdbs.db.aist.go.jp/.
  3. Linstrom, Peter J., and William G. Mallard, eds. n.d. NIST Chemistry WebBook: NIST Standard Reference Database Number 69. Gaithersburg, MD: National Institute of Standards and Technology. https://doi.org/10.18434/T4D303.
  4. PubChem. n.d. PubChem Compound Summary: CAS 497-19-8. Bethesda, MD: National Center for Biotechnology Information (NCBI), National Library of Medicine. https://pubchem.ncbi.nlm.nih.gov/#query=497-19-8.

📐 Standards / Guidelines

  1. ICH. 2003. "Stability Testing of New Drug Substances and Products: Q1A(R2)." Geneva: International Council for Harmonisation of Technical Requirements for Pharmaceuticals for Human Use. https://database.ich.org/sites/default/files/Q1A%28R2%29%20Guideline.pdf.
  2. National Fire Protection Association (NFPA). 2024. "NFPA 30: Flammable and Combustible Liquids Code." NFPA, Quincy, MA. https://www.nfpa.org/codes-and-standards/all-codes-and-standards/list-of-codes-and-standards/detail?code=30.
  3. Occupational Safety and Health Administration (OSHA). 2023. "29 CFR 1910.106 — Flammable Liquids." U.S. Department of Labor, Federal Register. https://www.osha.gov/laws-regs/regulations/standardnumber/1910/1910.106.
  4. European Chemicals Agency (ECHA). 2024. "Annex VI to Regulation (EC) No 1272/2008 (CLP) — Harmonised Classification and Labelling." ECHA, Helsinki / Official Journal of the European Union. https://echa.europa.eu/regulations/clp/clp-classification.
  5. European Committee for Standardization (CEN). 2016. "EN 374-1:2016 — Protective gloves against dangerous chemicals and micro-organisms — Part 1: Terminology and performance requirements for chemical risks." CEN, Brussels. https://standards.cencenelec.eu/dyn/www/f?p=205:110:::::FSP_PROJECT,FSP_ORG_ID:38536,6080&cs=1B0DAA8B85DF42E4A2C70E5D71F0BFA32.
  6. European Committee for Standardization (CEN). 2001. "EN 166:2001 — Personal eye-protection — Specifications." CEN, Brussels. https://standards.cencenelec.eu/dyn/www/f?p=CEN:110:0::::FSP_PROJECT:6541&cs=1F1A4E0A78C4DB6A28DBE2E8C29D89DCF.
  7. European Committee for Standardization (CEN). 2009. "EN 14605:2005+A1:2009 — Protective clothing against liquid chemicals — Performance requirements for clothing with liquid-tight (Type 3) or spray-tight (Type 4) connections." CEN, Brussels. https://standards.cencenelec.eu/dyn/www/f?p=CEN:110:0::::FSP_PROJECT:21581&cs=1A04A2D3C7CC58E9E6CB58D55F7EBFB7E.
  8. National Institute for Occupational Safety and Health (NIOSH). 2017. "Recommendations for Chemical Protective Clothing: A Companion to the NIOSH Pocket Guide." U.S. Department of Health & Human Services / CDC. https://www.cdc.gov/niosh/ncpc/default.html.
  9. Occupational Safety and Health Administration (OSHA). 2011. "Personal Protective Equipment — General requirements." U.S. Department of Labor — 29 CFR 1910.132. https://www.osha.gov/laws-regs/regulations/standardnumber/1910/1910.132.

📖 Books

  1. Hansen, Charles M. 2007. Hansen Solubility Parameters: A User's Handbook, 2nd ed.. Boca Raton, FL: CRC Press. https://www.routledge.com/Hansen-Solubility-Parameters-A-Users-Handbook/Hansen/p/book/9780849372483.
  2. Barton, Allan F. M. 1991. CRC Handbook of Solubility Parameters and Other Cohesion Parameters: 2nd ed.. Boca Raton, FL: CRC Press. https://www.routledge.com/CRC-Handbook-of-Solubility-Parameters-and-Other-Cohesion-Parameters/Barton/p/book/9780849301766.
  3. Connors, Kenneth A., Gordon L. Amidon, and Valentino J. Stella. 1986. Chemical Stability of Pharmaceuticals: A Handbook for Pharmacists, 2nd ed.. New York: Wiley. https://openlibrary.org/isbn/9780471879558.
  4. Rumble, John R., ed. 2019. CRC Handbook of Chemistry and Physics: 100th Edition. Boca Raton, FL: CRC Press. https://hbcp.chemnetbase.com/.
  5. Urben, Peter G. 2017. Bretherick's Handbook of Reactive Chemical Hazards, 8th Edition. Academic Press / Elsevier, Oxford. https://www.sciencedirect.com/book/9780081010594.

📄 Scientific articles (peer-reviewed)

  1. Stefanis, Emmanuel, and Costas Panayiotou. 2008. "Prediction of Hansen Solubility Parameters with a New Group-Contribution Method." International Journal of Thermophysics 29: 568-585. https://doi.org/10.1007/s10765-008-0415-z.
  2. Stoll, Vincent S., and John S. Blanchard. 1990. "Buffers: Principles and Practice: In Methods in Enzymology, vol. 182." San Diego: Academic Press. https://doi.org/10.1016/0076-6879(90)82008-P.

🌐 Websites

  1. ECHA. 2023. "Guidance on the Application of the CLP Criteria." European Chemicals Agency. https://echa.europa.eu/guidance-documents/guidance-on-clp.
  2. European Parliament. 2006. "Regulation (EC) No 1907/2006 (REACH)." Official Journal of the European Union L 396: 1–849.
  3. ECHA. 2023. "Candidate List of Substances of Very High Concern for Authorisation." European Chemicals Agency. https://echa.europa.eu/candidate-list-table.
  4. European Parliament. 2008. "Regulation (EC) No 1272/2008 on Classification, Labelling and Packaging of Substances and Mixtures (CLP)." Official Journal of the European Union L 353: 1–1355.
  5. ECHA. 2017. "Guidance on the Compilation of Safety Data Sheets." Version 3.1. European Chemicals Agency. ECHA-17-G-01-EN. https://echa.europa.eu/documents/10162/23047722/sds_en.pdf.
  6. ECHA. 2022. "Restrictions Under REACH — Annex XVII." European Chemicals Agency. https://echa.europa.eu/substances-restricted-under-reach.
  7. United Nations. 2021. Globally Harmonized System of Classification and Labelling of Chemicals (GHS). 9th revised ed. ST/SG/AC.10/30/Rev.9. New York and Geneva: United Nations. https://unece.org/ghs-rev9-2021.
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  33. Ministerstwo Klimatu i Środowiska Rzeczypospolitej Polskiej. 2020. "Rozporządzenie Ministra Klimatu z dnia 2 stycznia 2020 r. w sprawie katalogu odpadów." Dziennik Ustaw RP 2020 poz. 10. https://isap.sejm.gov.pl/isap.nsf/DocDetails.xsp?id=WDU20200000010. National rules — Poland
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📜 License & provenancePREDICTED MODEL · NOT VERIFIED
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, UFF 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 3 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. Rappe AK, Casewit CJ, Colwell KS, Goddard WA III, Skiff WM. UFF, a full periodic table force field for molecular mechanics and molecular dynamics simulations. J. Am. Chem. Soc. 1992, 114, 10024-10035. doi:10.1021/ja00051a040
  5. 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
  6. 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/10340
Model
Sodium Carbonate · 497-19-8
InChIKey
CDBYLPFSWZWCQE-UHFFFAOYSA-L
License
CC BY-SA 4.0 International (source rights undetermined — not yet granted)
Attribution
MolGod Scientific — Sodium Carbonate (CAS 497-19-8)
License & provenance record
Sodium Carbonate (CAS 497-19-8) →
MolGod molecule record
Sodium Carbonate →
Source data
PubChem CID 10340 ↗
Model information
STL generated by MolGod · MolGod STL Exporter build 48804cd20b0d · generated 2026-10-14
SHA-256 (STL)
922930eba8dd4957678d429d77ffcaedec729eec96918f32f13c9da9dffed501
MD5 (STL)
f978154e953375143881ee92f8ed5ad1
Model identifier
MG-STL-497-19-8
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
Free printable molecule model
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This license applies to the MolGod-created STL mesh, not automatically to third-party source material.