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Sodium Sorbate

PubChem CID
23665582
Structure
Sodium Sorbate_small.png
Sodium Sorbate_3D_Structure.png
Molecular Formula
Synonyms
  • SODIUM SORBATE
  • 7757-81-5
  • Sorbic Acid Sodium Salt
  • Sorban sodny
  • Sorban sodny [Czech]
Molecular Weight
134.11 g/mol
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Dates
  • Create:
    2008-02-05
  • Modify:
    2025-01-11
Description
Mold and yeast inhibitor. Used as a fungistatic agent for foods, especially cheeses.

1 Structures

1.1 2D Structure

Chemical Structure Depiction
Sodium Sorbate.png

1.2 3D Conformer

3D Conformer of Parent

2 Names and Identifiers

2.1 Computed Descriptors

2.1.1 IUPAC Name

sodium;(2E,4E)-hexa-2,4-dienoate
Computed by Lexichem TK 2.7.0 (PubChem release 2021.10.14)

2.1.2 InChI

InChI=1S/C6H8O2.Na/c1-2-3-4-5-6(7)8;/h2-5H,1H3,(H,7,8);/q;+1/p-1/b3-2+,5-4+;
Computed by InChI 1.0.6 (PubChem release 2021.10.14)

2.1.3 InChIKey

LROWVYNUWKVTCU-STWYSWDKSA-M
Computed by InChI 1.0.6 (PubChem release 2021.10.14)

2.1.4 SMILES

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

2.2 Molecular Formula

C6H7NaO2
Computed by PubChem 2.2 (PubChem release 2021.10.14)

2.3 Other Identifiers

2.3.1 CAS

7757-81-5

2.3.2 Deprecated CAS

42788-83-0
105926-87-2, 16577-93-8, 42788-83-0

2.3.3 European Community (EC) Number

2.3.4 UNII

2.3.5 DSSTox Substance ID

2.3.6 HMDB ID

2.3.7 Nikkaji Number

2.3.8 Wikidata

2.3.9 Wikipedia

2.4 Synonyms

2.4.1 MeSH Entry Terms

  • Acid, Hexadienoic
  • Acid, Propenylacrylic
  • Acid, Sorbic
  • Hexadienoic Acid
  • Potassium Sorbate
  • Propenylacrylic Acid
  • Sodium Sorbate
  • Sorbate, Potassium
  • Sorbate, Sodium
  • Sorbic Acid

2.4.2 Depositor-Supplied Synonyms

3 Chemical and Physical Properties

3.1 Computed Properties

Property Name
Molecular Weight
Property Value
134.11 g/mol
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Donor Count
Property Value
0
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Acceptor Count
Property Value
2
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Rotatable Bond Count
Property Value
2
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Exact Mass
Property Value
134.03437374 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Monoisotopic Mass
Property Value
134.03437374 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Topological Polar Surface Area
Property Value
40.1 Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Heavy Atom Count
Property Value
9
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
127
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
2
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
2
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 Decomposition

When heated to decomposition it emits acrid smoke and sodium oxide fumes.
Sax, N.I. Dangerous Properties of Industrial Materials. 6th ed. New York, NY: Van Nostrand Reinhold, 1984., p. 2452

3.2.2 Other Experimental Properties

HYDROCARBON-LIKE ODOR IS OFTEN ASSOCIATED WITH SORBATES /SORBATES/
Furia, T.E. (ed.). CRC Handbook of Food Additives. 2nd ed. Cleveland: The Chemical Rubber Co., 1972., p. 131

3.3 Chemical Classes

Other Uses -> Preservatives

3.3.1 Cosmetics

Preservative
S13 | EUCOSMETICS | Combined Inventory of Ingredients Employed in Cosmetic Products (2000) and Revised Inventory (2006) | DOI:10.5281/zenodo.2624118

3.3.2 Food Additives

ANTIMICROBIAL AGENT -> FDA Substance added to food

5 Chemical Vendors

6 Food Additives and Ingredients

6.1 Food Additive Classes

JECFA Functional Classes
Food Additives -> PRESERVATIVE;

6.2 FDA Substances Added to Food

Used for (Technical Effect)
ANTIMICROBIAL AGENT

6.3 Evaluations of the Joint FAO / WHO Expert Committee on Food Additives - JECFA

Chemical Name
SODIUM SORBATE
Evaluation Year
1985
ADI
0-25 mg/kg bw
Comments
Group ADI for sorbic acid and its calcium, potassium and sodium salts expressed as sorbic acid

7 Pharmacology and Biochemistry

7.1 MeSH Pharmacological Classification

Food Preservatives
Substances capable of inhibiting, retarding or arresting the process of fermentation, acidification or other deterioration of foods. (See all compounds classified as Food Preservatives.)

7.2 Metabolism / Metabolites

... /RESEARCHERS/ ATTRIBUTED CONSUMPTION OF SORBIC ACID BY MOLDS TO BETA-OXIDATION ... SIMILAR TO THOSE IN MAMMALS. ... /OTHERS/ PROPOSED ... THAT PENICILLIA, PARTICULARLY P ROQUEFORTI, DEGRADE ... /IT/ BY DECARBOXYLATION TO 1,3-PENTADIENE. ... /ITS/ DIENE ... APPEARS TO PREVENT OXIDATION TO THE KETONE. /SORBIC ACID/
Furia, T.E. (ed.). CRC Handbook of Food Additives. 2nd ed. Cleveland: The Chemical Rubber Co., 1972., p. 131
... METABOLIZED LIKE OTHER FATTY ACIDS IN ... /MAMMALS & BY MICROORGANISMS./ ... /IT/ DISAPPEARED FROM SEVERAL CULTURES OF CLOSTRIDIUM PARABOTULINUM. ... APPARENT UTILIZATION ... AFTER 7 DAYS INCUBATION @ 37 °C RANGED FROM 86-100% FOR STRAINS OF TYPES A & B & WAS 62% FOR NON-TOXIC STRAINS. /SORBIC ACID/
Furia, T.E. (ed.). CRC Handbook of Food Additives. 2nd ed. Cleveland: The Chemical Rubber Co., 1972., p. 131

8 Use and Manufacturing

8.1 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 as a preservative (control of mold and yeast) in food and cosmetics; [HSDB]
CHEMICAL PRESERVATIVE FOOD ADDITIVE
Sax, N.I. Dangerous Properties of Industrial Materials. 6th ed. New York, NY: Van Nostrand Reinhold, 1984., p. 2452
PRESERVATIVE FOR CONTROL OF MOLD & YEAST
Furia, T.E. (ed.). CRC Handbook of Food Additives. 2nd ed. Cleveland: The Chemical Rubber Co., 1972., p. 131
Preservatives frequently used in cosmetic products /sorbates/
Kirk-Othmer Encyclopedia of Chemical Technology. 3rd ed., Volumes 1-26. New York, NY: John Wiley and Sons, 1978-1984., p. V7 170 (1979)
IN DERMATOLOGIC PAREPARATIONS
American Medical Association. AMA Drug Evaluations Annual 1991. Chicago, IL: American Medical Association, 1991., p. 1056

8.1.1 Use Classification

Food Additives -> PRESERVATIVE; -> JECFA Functional Classes
Cosmetics -> Preservative
S13 | EUCOSMETICS | Combined Inventory of Ingredients Employed in Cosmetic Products (2000) and Revised Inventory (2006) | DOI:10.5281/zenodo.2624118

8.1.2 Household Products

Household & Commercial/Institutional Products

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

• Personal Care

8.2 Methods of Manufacturing

IT CAN BE MADE BY REACTING SORBIC ACID WITH AQ SODIUM HYDROXIDE. STOCK SOLN OF 20% SORBIC ACID EQUIVALENCE MAY BE PREPARED IN THIS MANNER.
Furia, T.E. (ed.). CRC Handbook of Food Additives. 2nd ed. Cleveland: The Chemical Rubber Co., 1972., p. 131

8.3 General Manufacturing Information

... CLOSTRIDIA CELLS & SPORES RESIST CONCN OF SORBIC ACID WHICH ARE INHIBITORY TO MAJORITY OF OTHER BACTERIA TESTED. /SORBIC ACID/
Furia, T.E. (ed.). CRC Handbook of Food Additives. 2nd ed. Cleveland: The Chemical Rubber Co., 1972., p. 131
THE SORBATES HAVE BEEN FOUND GENERALLY SUPERIOR TO BENZOATES FOR PRESERVATION OF MARGARINE, CHEESE, FISH, BREAD & CAKE. /SORBATES/
Furia, T.E. (ed.). CRC Handbook of Food Additives. 2nd ed. Cleveland: The Chemical Rubber Co., 1972., p. 131
SORBATES AFFECT YEASTS AS WELL AS MOLDS & ... CANNOT BE ADDED DIRECTLY TO YEAST RAISED GOODS. /SORBATES/
Furia, T.E. (ed.). CRC Handbook of Food Additives. 2nd ed. Cleveland: The Chemical Rubber Co., 1972., p. 134
SORBIC ACID & ITS SALTS ... ARE LESS ACTIVE AGAINST BACTERIA /THAN YEASTS OR MOLDS/ ... AS WITH OTHER WEAK ACID MICROBIAL INHIBITORS, ACTIVITY OF SORBATE INCREASES AS PH OF MEDIUM DECLINES. /SORBATES/
Furia, T.E. (ed.). CRC Handbook of Food Additives. 2nd ed. Cleveland: The Chemical Rubber Co., 1972., p. 131
For more General Manufacturing Information (Complete) data for SODIUM SORBATE (10 total), please visit the HSDB record page.

8.4 Sampling Procedures

NIOSH Method 173. Analyte: Sodium. Matrix: Air. Procedure: Filter collection, acid digestion Flow Rate: 1.5 l/min. Sample Size: Not specified. /Sodium/
U.S. Department of Health, Education Welfare, Public Health Service. Center for Disease Control, National Institute for Occupational Safety Health. NIOSH Manual of Analytical Methods. 2nd ed. Volumes 1-7. Washington, DC: U.S. Government Printing Office, 1977-present., p. V5 173-1
NIOSH Method 7300. Analyte: Sodium. Matrix: Air. Sampler: Filter (0.8 um, cellulose ester membrane) Flow Rate: 1 to 4 l/min. Sample Size: 500 liters. Shipment: Routine. Sample Stability: Stable. /Sodium/
U.S. Department of Health and Human Services, Public Health Service. Centers for Disease Control, National Institute for Occupational Safety and Health. NIOSH Manual of Analytical Methods, 3rd ed. Volumes 1 and 2 with 1985 supplement, and revisions. Washington, DC: U.S. Government Printing Office, February 1984., p. 7300-1

9 Identification

9.1 Analytic Laboratory Methods

SPECTROPHOTOMETRIC DETERMINATION OF SORBATE IN LOW CALORIE SALAD DRESSING WHICH ALSO CONTAINS PROPYL-P-HYDROXYBENZOATE & IN APPLE CIDER. /SORBATE/
Furia, T.E. (ed.). CRC Handbook of Food Additives. 2nd ed. Cleveland: The Chemical Rubber Co., 1972., p. 137
SINGLE-EXTRACTION UV SPECTROPHOTOMETRIC METHOD.
Furia, T.E. (ed.). CRC Handbook of Food Additives. 2nd ed. Cleveland: The Chemical Rubber Co., 1972., p. 137
NIOSH Method: 173. Analyte: Sodium. Matrix: Air. Procedure: Atomic absorption spectrophotometry. This method has a detection limit of 0.0002 and sensitivity of 0.015 ug/ml. The working range for a precision better than 3% RSD/CV is 0.05-1.0 ug/ml. Interference: Spectral, ionization, chemical and physical interferences. /Sodium/
U.S. Department of Health, Education Welfare, Public Health Service. Center for Disease Control, National Institute for Occupational Safety Health. NIOSH Manual of Analytical Methods. 2nd ed. Volumes 1-7. Washington, DC: U.S. Government Printing Office, 1977-present., p. 173-1
NIOSH Method: 7300. Analyte: Sodium. Matrix: Air. Procedure: Inductively coupled argon plasma, atomic emission spectroscopy. For sodium this method has an estimated detection limit of 10 ng/ml sample. The precision/RSD and the recovery are not determined. Applicability: The working range of this method is 0.005 to 2.0 mg/cu m for each element in a 500 liter air sample. Interferences: Spectral interferences. /Sodium/
U.S. Department of Health and Human Services, Public Health Service. Centers for Disease Control, National Institute for Occupational Safety and Health. NIOSH Manual of Analytical Methods, 3rd ed. Volumes 1 and 2 with 1985 supplement, and revisions. Washington, DC: U.S. Government Printing Office, February 1984., p. 7300-1
For more Analytic Laboratory Methods (Complete) data for SODIUM SORBATE (7 total), please visit the HSDB record page.

10 Safety and Hazards

10.1 Hazards Identification

10.1.1 GHS Classification

Note
Pictograms displayed are for 81.2% (13 of 16) of reports that indicate hazard statements. This chemical does not meet GHS hazard criteria for 18.8% (3 of 16) of reports.
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H319 (81.2%): 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 16 reports by companies from 2 notifications to the ECHA C&L Inventory.

Reported as not meeting GHS hazard criteria per 3 of 16 reports by companies. For more detailed information, please visit ECHA C&L website.

There is 1 notification provided by 13 of 16 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.

10.1.2 Hazard Classes and Categories

Eye Irrit. 2 (81.2%)

10.1.3 Hazards Summary

10.2 Safety and Hazard Properties

10.2.1 Explosive Limits and Potential

Combustible
Lewis, R.J., Sr (Ed.). Hawley's Condensed Chemical Dictionary. 12th ed. New York, NY: Van Nostrand Rheinhold Co., 1993, p. 1069

10.3 Regulatory Information

The Australian Inventory of Industrial Chemicals
Chemical: 2,4-Hexadienoic acid, sodium salt, (E,E)-

10.3.1 FDA Requirements

Substances migrating to food from paper and paperboard products used in food packaging that are generally recognized as safe for their intended use include sodium sorbate.
21 CFR 182.90 (4/1/91)
Sodium sorbate used as a chemical preservative in food for human consumption is generally recognized as safe when used in accordance with good manufacturing practice.
21 CFR 182.3795 (4/1/91
Sodium sorbate used as a chemical preservative in animal drugs, feeds, and related products is generally recognized as safe when used in accordance with good manufacturing or feeding practice.
21 CFR 582.3795 (4/1/91

10.4 Other Safety Information

Chemical Assessment

IMAP assessments - 2,4-Hexadienoic acid, sodium salt, (E,E)-: Environment tier I assessment

IMAP assessments - 2,4-Hexadienoic acid, sodium salt, (E,E)-: Human health tier I assessment

11 Toxicity

11.1 Toxicological Information

11.1.1 Acute Effects

11.1.2 Non-Human Toxicity Values

LD50 Mouse ip 2500 mg/kg
Sax, N.I. Dangerous Properties of Industrial Materials. 6th ed. New York, NY: Van Nostrand Reinhold, 1984., p. 2452

12 Literature

12.1 Consolidated References

12.2 NLM Curated PubMed Citations

12.3 Springer Nature References

12.4 Chemical Co-Occurrences in Literature

12.5 Chemical-Gene Co-Occurrences in Literature

12.6 Chemical-Disease Co-Occurrences in Literature

13 Patents

13.1 Depositor-Supplied Patent Identifiers

13.2 WIPO PATENTSCOPE

13.3 Chemical Co-Occurrences in Patents

13.4 Chemical-Disease Co-Occurrences in Patents

13.5 Chemical-Gene Co-Occurrences in Patents

14 Biological Test Results

14.1 BioAssay Results

15 Classification

15.1 MeSH Tree

15.2 ChemIDplus

15.3 UN GHS Classification

15.4 EPA CPDat Classification

15.5 NORMAN Suspect List Exchange Classification

15.6 EPA DSSTox Classification

15.7 Consumer Product Information Database Classification

15.8 MolGenie Organic Chemistry Ontology

16 Information Sources

  1. Australian Industrial Chemicals Introduction Scheme (AICIS)
    2,4-Hexadienoic acid, sodium salt, (E,E)-
    https://services.industrialchemicals.gov.au/search-inventory/
  2. ChemIDplus
    ChemIDplus Chemical Information Classification
    https://pubchem.ncbi.nlm.nih.gov/source/ChemIDplus
  3. EPA DSSTox
    CompTox Chemicals Dashboard Chemical Lists
    https://comptox.epa.gov/dashboard/chemical-lists/
  4. 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
  5. 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
  6. Hazardous Substances Data Bank (HSDB)
  7. 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/
  8. EPA Chemical and Products Database (CPDat)
  9. 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
  10. 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
  11. Human Metabolome Database (HMDB)
    LICENSE
    HMDB is offered to the public as a freely available resource. Use and re-distribution of the data, in whole or in part, for commercial purposes requires explicit permission of the authors and explicit acknowledgment of the source material (HMDB) and the original publication (see the HMDB citing page). We ask that users who download significant portions of the database cite the HMDB paper in any resulting publications.
    http://www.hmdb.ca/citing
  12. Japan Chemical Substance Dictionary (Nikkaji)
  13. Joint FAO/WHO Expert Committee on Food Additives (JECFA)
    LICENSE
    Permission from WHO is not required for the use of WHO materials issued under the Creative Commons Attribution-NonCommercial-ShareAlike 3.0 Intergovernmental Organization (CC BY-NC-SA 3.0 IGO) licence.
    https://www.who.int/about/policies/publishing/copyright
  14. 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/
    NORMAN Suspect List Exchange Classification
    https://www.norman-network.com/nds/SLE/
  15. Springer Nature
  16. Wikidata
  17. Wikipedia
  18. 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
  19. PubChem
  20. GHS Classification (UNECE)
  21. MolGenie
    MolGenie Organic Chemistry Ontology
    https://github.com/MolGenie/ontology/
  22. PATENTSCOPE (WIPO)
CONTENTS