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Sodium carbonate decahydrate

PubChem CID
151402
Structure
Sodium carbonate decahydrate_small.png
Molecular Formula
Synonyms
  • Sodium carbonate decahydrate
  • 6132-02-1
  • 24551-51-7
  • Carbonic acid disodium salt, hydrate
  • disodium;carbonate;decahydrate
Molecular Weight
286.14 g/mol
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Dates
  • Create:
    2005-06-24
  • Modify:
    2025-01-18
Description
Sodium carbonate decahydrate is an organooxygen compound.
Natrite is a mineral with formula of Na2CO3 or Na2(CO3). The corresponding IMA (International Mineralogical Association) number is IMA1981-005. The IMA symbol is Nat.
Natron is a mineral with formula of Na2CO3·10H2O or Na2(CO3)·10H2O. The corresponding IMA (International Mineralogical Association) number is IMA1967 s.p.. The IMA symbol is Nt.

1 Structures

1.1 2D Structure

Chemical Structure Depiction
Sodium carbonate decahydrate.png

1.2 3D Status

Conformer generation is disallowed since MMFF94s unsupported element, mixture or salt

2 Names and Identifiers

2.1 Computed Descriptors

2.1.1 IUPAC Name

disodium;carbonate;decahydrate
Computed by Lexichem TK 2.7.0 (PubChem release 2021.10.14)

2.1.2 InChI

InChI=1S/CH2O3.2Na.10H2O/c2-1(3)4;;;;;;;;;;;;/h(H2,2,3,4);;;10*1H2/q;2*+1;;;;;;;;;;/p-2
Computed by InChI 1.0.6 (PubChem release 2021.10.14)

2.1.3 InChIKey

XYQRXRFVKUPBQN-UHFFFAOYSA-L
Computed by InChI 1.0.6 (PubChem release 2021.10.14)

2.1.4 SMILES

C(=O)([O-])[O-].O.O.O.O.O.O.O.O.O.O.[Na+].[Na+]
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)

2.2 Molecular Formula

CH20Na2O13
Computed by PubChem 2.2 (PubChem release 2021.10.14)

2.3 Other Identifiers

2.3.1 CAS

6132-02-1
24551-51-7

2.3.2 European Community (EC) Number

2.3.3 UNII

2.3.4 ChEBI ID

2.3.5 DSSTox Substance ID

2.3.6 KEGG ID

2.3.7 NCI Thesaurus Code

2.3.8 RXCUI

2.3.9 Wikidata

2.3.10 Wikipedia

2.4 Synonyms

2.4.1 MeSH Entry Terms

  • disodium carbonate, 14C-labeled cpd
  • disodium carbonate, heptahydrate
  • disodium carbonate, monohydrate
  • monosodium carbonate, 14C-labeled cpd
  • monosodium carbonate, monohydrate
  • sodium carbonate
  • sodium carbonate (2:3), dihydrate
  • sodium carbonate (4:5)
  • sodium carbonate decahydrate
  • sodium carbonate, hydrate

2.4.2 Depositor-Supplied Synonyms

3 Chemical and Physical Properties

3.1 Computed Properties

Property Name
Molecular Weight
Property Value
286.14 g/mol
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Donor Count
Property Value
10
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Acceptor Count
Property Value
13
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Rotatable Bond Count
Property Value
0
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Exact Mass
Property Value
286.06992925 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Monoisotopic Mass
Property Value
286.06992925 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Topological Polar Surface Area
Property Value
73.2 Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Heavy Atom Count
Property Value
16
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
18.8
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Isotope Atom Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Covalently-Bonded Unit Count
Property Value
13
Reference
Computed by PubChem
Property Name
Compound Is Canonicalized
Property Value
Yes
Reference
Computed by PubChem (release 2021.10.14)

3.2 Experimental Properties

3.2.1 Physical Description

Transparent solid; Effloesces in air; mp= 30 deg C; [Merck Index] Colorless hygroscopic crystals; mp = 32-34 deg C; [Alfa Aesar MSDS]

3.3 Chemical Classes

Metals -> Metals, Inorganic Compounds

3.3.1 Drugs

3.3.1.1 Animal Drugs
Pharmaceuticals -> UK Veterinary Medicines Directorate List
S104 | UKVETMED | UK Veterinary Medicines Directorate's List | DOI:10.5281/zenodo.7802119

4 Spectral Information

4.1 1D NMR Spectra

4.1.1 13C NMR Spectra

Source of Sample
Fluka AG, Buchs, Switzerland
Copyright
Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Thumbnail
Thumbnail

4.2 Raman Spectra

Instrument Name
Bio-Rad FTS 175C with Raman accessory
Technique
FT-Raman
Source of Sample
Fluka Chemie AG, Buchs, Switzerland
Catalog Number
71360
Copyright
Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Thumbnail
Thumbnail

6 Chemical Vendors

7 Minerals

1 of 5
Formula
Na2CO3
System
Monoclinic
2 of 5
Name
natrite
Link
3 of 5
Name
natron
Link
4 of 5
IMA Number
IMA1981-005
Formula
Na2CO3 or Na2(CO3)
IMA Symbol
Nat
PDF Link
5 of 5
IMA Number
IMA1967 s.p.
Formula
Na2CO3·10H2O or Na2(CO3)·10H2O
IMA Symbol
Nt
PDF Link

8 Use and Manufacturing

8.1 Uses

Sources/Uses
Occurs naturally in deposits of natron; Used to make sodium salts, glass, and soap; Used for washing wool and other textiles, bleaching linen and cotton, and water-softening; Also used in photography, analytical chemistry, pharmaceutical production (alkalizer), and veterinary medicine (emetic and skin cleanser/softener; [Merck Index] Permitted for use as an inert ingredient in non-food pesticide products; [EPA]
Merck Index - O'Neil MJ, Heckelman PE, Dobbelaar PH, Roman KJ (eds). The Merck Index, An Encyclopedia of Chemicals, Drugs, and Biologicals, 15th Ed. Cambridge, UK: The Royal Society of Chemistry, 2013.
Industrial Processes with risk of exposure

8.1.1 Household Products

Household & Commercial/Institutional Products

Information on 1 consumer products that contain Sodium carbonate decahydrate in the following categories is provided:

• Auto Products

9 Safety and Hazards

9.1 Hazards Identification

9.1.1 GHS Classification

1 of 3
View All
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes

P264+P265, P280, P305+P351+P338, and P337+P317

(The corresponding statement to each P-code can be found at the GHS Classification page.)

ECHA C&L Notifications Summary

Aggregated GHS information provided per 131 reports by companies from 2 notifications to the ECHA C&L Inventory.

Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown.

9.1.2 Hazard Classes and Categories

Eye Irrit. 2 (100%)

Specific target organ toxicity (single exposure) - category 3

Skin corrosion - category 1B

9.1.3 Hazards Summary

Commercial product referred to as sal soda or washing soda; Overexposure to dust or vapor causes mucous membrane irritation and coughing; A skin irritant; [Merck Index] A skin, mucous membrane, and severe eye irritant; [Alfa Aesar MSDS] See Sodium carbonate.
Merck Index - O'Neil MJ, Heckelman PE, Dobbelaar PH, Roman KJ (eds). The Merck Index, An Encyclopedia of Chemicals, Drugs, and Biologicals, 15th Ed. Cambridge, UK: The Royal Society of Chemistry, 2013.

9.2 Regulatory Information

The Australian Inventory of Industrial Chemicals
Chemical: Carbonic acid, disodium salt, decahydrate
New Zealand EPA Inventory of Chemical Status
Sodium carbonate, decahydrate: Does not have an individual approval but may be used under an appropriate group standard

9.3 Other Safety Information

Chemical Assessment
IMAP assessments - Hydrates of Sodium Carbonate: Human health tier II assessment

10 Literature

10.1 Consolidated References

10.2 NLM Curated PubMed Citations

10.3 Springer Nature References

10.4 Chemical Co-Occurrences in Literature

10.5 Chemical-Gene Co-Occurrences in Literature

10.6 Chemical-Disease Co-Occurrences in Literature

11 Patents

11.1 Depositor-Supplied Patent Identifiers

11.2 WIPO PATENTSCOPE

11.3 Chemical Co-Occurrences in Patents

11.4 Chemical-Disease Co-Occurrences in Patents

11.5 Chemical-Gene Co-Occurrences in Patents

12 Classification

12.1 MeSH Tree

12.2 NCI Thesaurus Tree

12.3 ChEBI Ontology

12.4 KEGG: JP15

12.5 ChemIDplus

12.6 UN GHS Classification

12.7 NORMAN Suspect List Exchange Classification

12.8 EPA DSSTox Classification

12.9 Consumer Product Information Database Classification

12.10 EPA Substance Registry Services Tree

12.11 MolGenie Organic Chemistry Ontology

13 Information Sources

  1. Athena Minerals
    LICENSE
    Copyright (c) ATHENA - Pierre Perroud. All Rights Reserved
  2. Handbook of Mineralogy
  3. RRUFF Project
  4. Australian Industrial Chemicals Introduction Scheme (AICIS)
    Carbonic acid, disodium salt, decahydrate
    https://services.industrialchemicals.gov.au/search-inventory/
  5. ChemIDplus
    ChemIDplus Chemical Information Classification
    https://pubchem.ncbi.nlm.nih.gov/source/ChemIDplus
  6. EPA DSSTox
    Sodium carbonate hydrate (2:1:10)
    https://comptox.epa.gov/dashboard/DTXSID2052285
    CompTox Chemicals Dashboard Chemical Lists
    https://comptox.epa.gov/dashboard/chemical-lists/
  7. European Chemicals Agency (ECHA)
    LICENSE
    Use of the information, documents and data from the ECHA website is subject to the terms and conditions of this Legal Notice, and subject to other binding limitations provided for under applicable law, the information, documents and data made available on the ECHA website may be reproduced, distributed and/or used, totally or in part, for non-commercial purposes provided that ECHA is acknowledged as the source: "Source: European Chemicals Agency, http://echa.europa.eu/". Such acknowledgement must be included in each copy of the material. ECHA permits and encourages organisations and individuals to create links to the ECHA website under the following cumulative conditions: Links can only be made to webpages that provide a link to the Legal Notice page.
    https://echa.europa.eu/web/guest/legal-notice
  8. FDA Global Substance Registration System (GSRS)
    LICENSE
    Unless otherwise noted, the contents of the FDA website (www.fda.gov), both text and graphics, are not copyrighted. They are in the public domain and may be republished, reprinted and otherwise used freely by anyone without the need to obtain permission from FDA. Credit to the U.S. Food and Drug Administration as the source is appreciated but not required.
    https://www.fda.gov/about-fda/about-website/website-policies#linking
  9. New Zealand Environmental Protection Authority (EPA)
    LICENSE
    This work is licensed under the Creative Commons Attribution-ShareAlike 4.0 International licence.
    https://www.epa.govt.nz/about-this-site/general-copyright-statement/
  10. ChEBI
  11. Consumer Product Information Database (CPID)
    LICENSE
    Copyright (c) 2024 DeLima Associates. All rights reserved. Unless otherwise indicated, all materials from CPID are copyrighted by DeLima Associates. No part of these materials, either text or image may be used for any purpose other than for personal use. Therefore, reproduction, modification, storage in a retrieval system or retransmission, in any form or by any means, electronic, mechanical or otherwise, for reasons other than personal use, is strictly prohibited without prior written permission.
    https://www.whatsinproducts.com/contents/view/1/6
    Consumer Products Category Classification
    https://www.whatsinproducts.com/
  12. Hazardous Chemical Information System (HCIS), Safe Work Australia
  13. Haz-Map, Information on Hazardous Chemicals and Occupational Diseases
    LICENSE
    Copyright (c) 2022 Haz-Map(R). All rights reserved. Unless otherwise indicated, all materials from Haz-Map are copyrighted by Haz-Map(R). No part of these materials, either text or image may be used for any purpose other than for personal use. Therefore, reproduction, modification, storage in a retrieval system or retransmission, in any form or by any means, electronic, mechanical or otherwise, for reasons other than personal use, is strictly prohibited without prior written permission.
    https://haz-map.com/About
    Sodium carbonate decahydrate
    https://haz-map.com/Agents/17523
  14. KEGG
    LICENSE
    Academic users may freely use the KEGG website. Non-academic use of KEGG generally requires a commercial license
    https://www.kegg.jp/kegg/legal.html
    Drugs listed in the Japanese Pharmacopoeia
    http://www.genome.jp/kegg-bin/get_htext?br08311.keg
  15. NCI Thesaurus (NCIt)
    LICENSE
    Unless otherwise indicated, all text within NCI products is free of copyright and may be reused without our permission. Credit the National Cancer Institute as the source.
    https://www.cancer.gov/policies/copyright-reuse
  16. NLM RxNorm Terminology
    LICENSE
    The RxNorm Terminology is created by the National Library of Medicine (NLM) and is in the public domain and may be republished, reprinted and otherwise used freely by anyone without the need to obtain permission from NLM. Credit to the U.S. National Library of Medicine as the source is appreciated but not required. The full RxNorm dataset requires a free license.
    https://www.nlm.nih.gov/research/umls/rxnorm/docs/termsofservice.html
  17. NORMAN Suspect List Exchange
    LICENSE
    Data: CC-BY 4.0; Code (hosted by ECI, LCSB): Artistic-2.0
    https://creativecommons.org/licenses/by/4.0/
    Sodium Carbonate
    NORMAN Suspect List Exchange Classification
    https://www.norman-network.com/nds/SLE/
  18. SpectraBase
    CARBONIC ACID, DISODIUM SALT, DECAHYDRATE
    https://spectrabase.com/spectrum/Iejb7QIGrqi
  19. Springer Nature
  20. Wikidata
    sodium carbonate decahydrate
    https://www.wikidata.org/wiki/Q27283154
  21. Wikipedia
  22. PubChem
  23. Medical Subject Headings (MeSH)
    LICENSE
    Works produced by the U.S. government are not subject to copyright protection in the United States. Any such works found on National Library of Medicine (NLM) Web sites may be freely used or reproduced without permission in the U.S.
    https://www.nlm.nih.gov/copyright.html
  24. GHS Classification (UNECE)
  25. EPA Substance Registry Services
  26. MolGenie
    MolGenie Organic Chemistry Ontology
    https://github.com/MolGenie/ontology/
  27. PATENTSCOPE (WIPO)
CONTENTS