Magnesium caprylate
PubChem CID
19595724
Structure
Molecular Formula
Synonyms
- Magnesium caprylate
- Magnesium octanoate
- 3386-57-0
- Octanoic acid, magnesium salt
- UNII-K7EHJ964F3
Molecular Weight
310.71 g/mol
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Parent Compound
Component Compounds
Dates
- Create:2007-12-05
- Modify:2025-01-11
Chemical Structure Depiction
3D Conformer of Parent
magnesium;octanoate
Computed by Lexichem TK 2.7.0 (PubChem release 2021.10.14)
InChI=1S/2C8H16O2.Mg/c2*1-2-3-4-5-6-7-8(9)10;/h2*2-7H2,1H3,(H,9,10);/q;;+2/p-2
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
HPBJPFJVNDHMEG-UHFFFAOYSA-L
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
CCCCCCCC(=O)[O-].CCCCCCCC(=O)[O-].[Mg+2]
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)
C16H30MgO4
Computed by PubChem 2.2 (PubChem release 2021.10.14)
3386-57-0
- Magnesium caprylate
- Magnesium octanoate
- 3386-57-0
- Octanoic acid, magnesium salt
- UNII-K7EHJ964F3
- Octanoic acid, magnesium salt (2:1)
- K7EHJ964F3
- magnesium;octanoate
- Magnesium octanoate dihydrate
- magnesium octoate
- magnesium octylate
- SCHEMBL267142
- DTXSID2052021
- MAGNESIUM CAPRYLATE [WHO-DD]
- DB-255109
- NS00130238
- CAPRYLIC ACID MAGNESIUM SALT, DIHYDRATE
- Q27282046
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
310.71 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
4
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Rotatable Bond Count
Property Value
10
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Exact Mass
Property Value
310.1994511 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Monoisotopic Mass
Property Value
310.1994511 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Topological Polar Surface Area
Property Value
80.3 Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Heavy Atom Count
Property Value
21
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
83.7
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
3
Reference
Computed by PubChem
Property Name
Compound Is Canonicalized
Property Value
Yes
Reference
Computed by PubChem (release 2021.10.14)
ANTICAKING AGENT OR FREE-FLOW AGENT, EMULSIFIER OR EMULSIFIER SALT, LUBRICANT OR RELEASE AGENT -> FDA Substance added to food
Follow these links to do a live 2D search or do a live 3D search for this compound, sorted by annotation score. This section is deprecated (see here for details), but these live search links provide equivalent functionality to the table that was previously shown here.
Same Parent, Connectivity Count
Same Parent, Exact Count
Mixtures, Components, and Neutralized Forms Count
Similar Compounds (2D)
Similar Conformers (3D)
Same Count
JECFA Functional Classes
Food Additives -> ANTICAKING_AGENT; EMULSIFIER;
Substance
Used for (Technical Effect)
ANTICAKING AGENT OR FREE-FLOW AGENT, EMULSIFIER OR EMULSIFIER SALT, LUBRICANT OR RELEASE AGENT
Chemical Name
MAGNESIUM CAPRYLATE
Evaluation Year
1985
ADI
NO ADI ALLOCATED
Report
Tox Monograph
Food Additives -> ANTICAKING_AGENT; EMULSIFIER; -> JECFA Functional Classes
EPA TSCA Commercial Activity Status
Octanoic acid, magnesium salt (2:1): ACTIVE
EPA TSCA Regulatory Flag
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
The Australian Inventory of Industrial Chemicals
Chemical: Octanoic acid, magnesium salt
- Australian Industrial Chemicals Introduction Scheme (AICIS)Octanoic acid, magnesium salthttps://services.industrialchemicals.gov.au/search-inventory/
- ChemIDplusMagnesium caprylatehttps://pubchem.ncbi.nlm.nih.gov/substance/?source=chemidplus&sourceid=0003386570ChemIDplus Chemical Information Classificationhttps://pubchem.ncbi.nlm.nih.gov/source/ChemIDplus
- EPA Chemicals under the TSCAOctanoic acid, magnesium salt (2:1)https://www.epa.gov/chemicals-under-tscaEPA TSCA Classificationhttps://www.epa.gov/tsca-inventory
- EPA DSSToxMagnesium dioctanoatehttps://comptox.epa.gov/dashboard/DTXSID2052021CompTox Chemicals Dashboard Chemical Listshttps://comptox.epa.gov/dashboard/chemical-lists/
- FDA Global Substance Registration System (GSRS)LICENSEUnless 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#linkingMAGNESIUM CAPRYLATEhttps://gsrs.ncats.nih.gov/ginas/app/beta/substances/K7EHJ964F3
- FDA Substances Added to FoodLICENSEUnless 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
- Human Metabolome Database (HMDB)LICENSEHMDB 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/citingMagnesium octanoatehttp://www.hmdb.ca/metabolites/HMDB0303346
- Japan Chemical Substance Dictionary (Nikkaji)
- Joint FAO/WHO Expert Committee on Food Additives (JECFA)LICENSEPermission 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
- Wikidatamagnesium caprylatehttps://www.wikidata.org/wiki/Q27282046
- PubChem
- NORMAN Suspect List ExchangeLICENSEData: CC-BY 4.0; Code (hosted by ECI, LCSB): Artistic-2.0https://creativecommons.org/licenses/by/4.0/NORMAN Suspect List Exchange Classificationhttps://www.norman-network.com/nds/SLE/
- EPA Substance Registry ServicesEPA SRS List Classificationhttps://sor.epa.gov/sor_internet/registry/substreg/LandingPage.do
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