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Disodium Hydrogen Citrate

PubChem CID
8950
Structure
Disodium Hydrogen Citrate_small.png
Disodium Hydrogen Citrate_3D_Structure.png
Molecular Formula
Synonyms
  • Disodium citrate
  • Alkacitron
  • Citralka
  • Sodium acid citrate
  • Sodium citrate, acid
Molecular Weight
236.09 g/mol
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Parent Compound
Dates
  • Create:
    2005-08-08
  • Modify:
    2025-01-18

1 Structures

1.1 2D Structure

Chemical Structure Depiction
Disodium Hydrogen Citrate.png

1.2 3D Conformer

3D Conformer of Parent

2 Names and Identifiers

2.1 Computed Descriptors

2.1.1 IUPAC Name

disodium;3-carboxy-3-hydroxypentanedioate
Computed by Lexichem TK 2.7.0 (PubChem release 2024.11.20)

2.1.2 InChI

InChI=1S/C6H8O7.2Na/c7-3(8)1-6(13,5(11)12)2-4(9)10;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;/q;2*+1/p-2
Computed by InChI 1.07.0 (PubChem release 2024.11.20)

2.1.3 InChIKey

CEYULKASIQJZGP-UHFFFAOYSA-L
Computed by InChI 1.07.0 (PubChem release 2024.11.20)

2.1.4 SMILES

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

2.2 Molecular Formula

C6H6Na2O7
Computed by PubChem 2.2 (PubChem release 2024.11.20)

2.3 Other Identifiers

2.3.1 CAS

144-33-2
6132-05-4

2.3.2 Deprecated CAS

1160371-84-5, 1189465-07-3

2.3.3 European Community (EC) Number

205-623-3

2.3.4 DSSTox Substance ID

2.3.5 NCI Thesaurus Code

2.3.6 Nikkaji Number

2.3.7 RXCUI

2.3.8 Wikidata

2.3.9 Wikipedia

2.4 Synonyms

2.4.1 Depositor-Supplied Synonyms

3 Chemical and Physical Properties

3.1 Computed Properties

Property Name
Molecular Weight
Property Value
236.09 g/mol
Reference
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Property Name
Hydrogen Bond Donor Count
Property Value
2
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Hydrogen Bond Acceptor Count
Property Value
7
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Rotatable Bond Count
Property Value
3
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Exact Mass
Property Value
235.99089109 Da
Reference
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Property Name
Monoisotopic Mass
Property Value
235.99089109 Da
Reference
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Property Name
Topological Polar Surface Area
Property Value
138 Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Heavy Atom Count
Property Value
15
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
216
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
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
3
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

Other Solid
Crystalline white powder or colourless crystals
White solid; [Merck Index] White powder or fine crystals; Odorless; [Merck Eurolab MSDS]

3.2.2 pH

Between 4,9 and 5,2 (1 % aqueous solution)

3.2.3 Other Experimental Properties

WHITE POWDER; SALINE TASTE; PH OF 3% WT/VOL SOLN IN WATER: 4.9-5.2; 1 G DISSOLVES IN LESS THAN 2 ML WATER /SESQUIHYDRATE/
The Merck Index. 9th ed. Rahway, New Jersey: Merck & Co., Inc., 1976., p. 1112

3.3 Chemical Classes

Metals -> Organic Acids, Metal Salts

3.3.1 Food Additives

STABILIZER OR THICKENER -> FDA Substance added to food

4 Spectral Information

4.1 1D NMR Spectra

4.1.1 1H NMR Spectra

Instrument Name
Varian CFT-20
Copyright
Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved.
Thumbnail
Thumbnail

4.1.2 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 IR Spectra

4.2.1 FTIR Spectra

Technique
KBr WAFER
Source of Sample
Fluka Chemie AG, Buchs, Switzerland
Catalog Number
71635
Copyright
Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Thumbnail
Thumbnail

6 Chemical Vendors

7 Drug and Medication Information

7.1 Clinical Trials

7.1.1 ClinicalTrials.gov

8 Food Additives and Ingredients

8.1 FDA Substances Added to Food

Used for (Technical Effect)
STABILIZER OR THICKENER
Document Number (21 eCFR)

9 Use and Manufacturing

9.1 Uses

EPA CPDat Chemical and Product Categories
The Chemical and Products Database, a resource for exposure-relevant data on chemicals in consumer products, Scientific Data, volume 5, Article number: 180125 (2018), DOI:10.1038/sdata.2018.125
Sources/Uses
Used almost exclusively as an anticoagulant for blood transfusions; [HSDB] Used as a stabilizer or thickener for foods; [FDA] Permitted for use as an inert ingredient in non-food pesticide products; [EPA]
ANTICOAGULANT, FOR USE IN TRANSFUSIONS
SRI

9.1.1 Use Classification

Food additives

9.1.2 Industry Uses

Surface active agents

9.1.3 Consumer Uses

Surface active agents

9.1.4 Household Products

Household & Commercial/Institutional Products

Information on 2 consumer products that contain Disodium hydrogen citrate in the following categories is provided:

• Inside the Home

Household & Commercial/Institutional Products

Information on 1 consumer products that contain Disodium citrate sesquihydrate in the following categories is provided:

• Inside the Home

9.2 Methods of Manufacturing

PROBABLY REACTION OF CITRIC ACID WITH SODIUM HYDROXIDE
SRI

9.3 Consumption Patterns

ESSENTIALLY 100% AS AN ANTICOAGULANT (1976)
SRI

9.4 U.S. Production

Aggregated Product Volume

2019: 6,388 lb

2018: 33,573 lb

2017: 33,674 lb

2016: 18,532 lb

(1972) No Data
SRI
(1975) No Data
SRI

9.5 U.S. Imports

(1972) No Data
SRI
(1975) No Data
SRI

9.6 U.S. Exports

(1972) No Data
SRI
(1975) No Data
SRI

9.7 General Manufacturing Information

Industry Processing Sectors
Soap, Cleaning Compound, and Toilet Preparation Manufacturing
EPA TSCA Commercial Activity Status
1,2,3-Propanetricarboxylic acid, 2-hydroxy-, sodium salt (1:2): ACTIVE
ANTICOAGULANT...IN SOLN WITH GLUCOSE TO PREVENT CLOTTING OF BLOOD INTENDED FOR TRANSFUSION. PREFERABLE TO SODIUM CITRATE, SINCE IT PREVENTS CARAMELIZATION OF GLUCOSE ON STERILIZATION BECAUSE OF ITS ACIDITY. SUITABLE SOLN CONTAINS 1.7 TO 2% & 2.5% DEXTROSE; 120 ML OF THIS SOLN PREVENTS CLOTTING OF 420 ML BLOOD.
The Merck Index. 9th ed. Rahway, New Jersey: Merck & Co., Inc., 1976., p. 1112

10 Identification

10.1 Analytic Laboratory Methods

ATOMIC ABSORPTION-FLAME PHOTOMETRIC METHOD APPLICABLE TO RINGERS'S & LACTATED RINGER'S INJECTIONS. /SODIUM/
Association of Official Analytical Chemists. Official Methods of Analysis. 10th ed. and supplements. Washington, DC: Association of Official Analytical Chemists, 1965. New editions through 13th ed. plus supplements, 1982., p. 13/597 36.055

11 Safety and Hazards

11.1 Hazards Identification

11.1.1 GHS Classification

1 of 2
View All
Note
This chemical does not meet GHS hazard criteria for 100% (99 of 99) of all reports. Pictograms displayed are for < 0.1% (0 of 99) of reports that indicate hazard statements.
GHS Hazard Statements

Not Classified

Reported as not meeting GHS hazard criteria by 99 of 99 companies. For more detailed information, please visit ECHA C&L website.

ECHA C&L Notifications Summary

Aggregated GHS information provided per 99 reports by companies from 1 notifications to the ECHA C&L Inventory.

Reported as not meeting GHS hazard criteria per 99 of 99 reports by companies. For more detailed information, please visit ECHA C&L website.

There are 0 notifications provided by 0 of 99 reports by companies with hazard statement code(s).

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.

11.1.2 Hazard Classes and Categories

Not Classified

11.1.3 Hazards Summary

Causes convulsions and cyanosis in intravenous and intraperitoneal lethal-dose studies of mice and rats; [RTECS] An eye and respiratory tract irritant; [Merck Eurolab MSDS] See Citric acid.

11.2 Regulatory Information

The Australian Inventory of Industrial Chemicals
Chemical: 1,2,3-Propanetricarboxylic acid, 2-hydroxy-, disodium salt
REACH Registered Substance
New Zealand EPA Inventory of Chemical Status
Disodium citrate: Does not have an individual approval but may be used under an appropriate group standard

11.3 Other Safety Information

Chemical Assessment
IMAP assessments - 1,2,3-Propanetricarboxylic acid, 2-hydroxy-, disodium salt: Human health tier I assessment

12 Toxicity

12.1 Toxicological Information

12.1.1 Acute Effects

13 Literature

13.1 Consolidated References

13.2 Springer Nature References

13.3 Chemical Co-Occurrences in Literature

13.4 Chemical-Gene Co-Occurrences in Literature

13.5 Chemical-Disease Co-Occurrences in Literature

14 Patents

14.1 Depositor-Supplied Patent Identifiers

14.2 WIPO PATENTSCOPE

14.3 Chemical Co-Occurrences in Patents

14.4 Chemical-Disease Co-Occurrences in Patents

14.5 Chemical-Gene Co-Occurrences in Patents

15 Classification

15.1 NCI Thesaurus Tree

15.2 ChemIDplus

15.3 UN GHS Classification

15.4 EPA CPDat Classification

15.5 EPA DSSTox Classification

15.6 Consumer Product Information Database Classification

15.7 MolGenie Organic Chemistry Ontology

16 Information Sources

  1. Australian Industrial Chemicals Introduction Scheme (AICIS)
    1,2,3-Propanetricarboxylic acid, 2-hydroxy-, disodium salt
    https://services.industrialchemicals.gov.au/search-assessments/
    1,2,3-Propanetricarboxylic acid, 2-hydroxy-, disodium salt
    https://services.industrialchemicals.gov.au/search-inventory/
  2. ChemIDplus
    ChemIDplus Chemical Information Classification
    https://pubchem.ncbi.nlm.nih.gov/source/ChemIDplus
  3. EPA Chemical Data Reporting (CDR)
    LICENSE
    The U.S. Government retains a nonexclusive, royalty-free license to publish or reproduce these documents, or allow others to do so, for U.S. Government purposes. These documents may be freely distributed and used for non-commercial, scientific and educational purposes.
    https://www.epa.gov/web-policies-and-procedures/epa-disclaimers#copyright
    1,2,3-Propanetricarboxylic acid, 2-hydroxy-, sodium salt (1:2)
    https://www.epa.gov/chemical-data-reporting
  4. EPA Chemicals under the TSCA
    1,2,3-Propanetricarboxylic acid, 2-hydroxy-, sodium salt (1:2)
    https://www.epa.gov/chemicals-under-tsca
  5. EPA DSSTox
    CompTox Chemicals Dashboard Chemical Lists
    https://comptox.epa.gov/dashboard/chemical-lists/
  6. 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
    1,2,3-Propanetricarboxylic acid, 2-hydroxy-, sodium salt, hydrate (2:4:3)
    https://echa.europa.eu/substance-information/-/substanceinfo/100.110.966
    1,2,3-Propanetricarboxylic acid, 2-hydroxy-, sodium salt, hydrate (2:4:3) (EC: 612-119-0)
    https://echa.europa.eu/information-on-chemicals/cl-inventory-database/-/discli/details/23108
  7. Hazardous Substances Data Bank (HSDB)
  8. 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/
  9. ClinicalTrials.gov
    LICENSE
    The ClinicalTrials.gov data carry an international copyright outside the United States and its Territories or Possessions. Some ClinicalTrials.gov data may be subject to the copyright of third parties; you should consult these entities for any additional terms of use.
    https://clinicaltrials.gov/ct2/about-site/terms-conditions#Use
  10. 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/
  11. EPA Chemical and Products Database (CPDat)
  12. 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
    Disodium hydrogen citrate
    https://haz-map.com/Agents/13831
  13. EU Food Improvement Agents
  14. FDA Substances Added to Food
    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
  15. Japan Chemical Substance Dictionary (Nikkaji)
  16. 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
  17. 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
    disodium citrate sesquihydrate
    https://rxnav.nlm.nih.gov/id/rxnorm/2049608
  18. SpectraBase
  19. Springer Nature
  20. Wikidata
  21. Wikipedia
  22. PubChem
  23. GHS Classification (UNECE)
  24. MolGenie
    MolGenie Organic Chemistry Ontology
    https://github.com/MolGenie/ontology/
  25. PATENTSCOPE (WIPO)
CONTENTS