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Melamine cyanurate

PubChem CID
93198
Structure
Melamine cyanurate_small.png
Molecular Formula
Synonyms
  • Melamine cyanurate
  • 37640-57-6
  • Melamine isocyanurate
  • 16133-31-6
  • 1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, compound with 1,3,5-triazine-2,4,6-triamine
Molecular Weight
255.20 g/mol
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Dates
  • Create:
    2005-03-26
  • Modify:
    2025-01-11

1 Structures

1.1 2D Structure

Chemical Structure Depiction
Melamine cyanurate.png

1.2 3D Status

Conformer generation is disallowed since mixture or salt

2 Names and Identifiers

2.1 Computed Descriptors

2.1.1 IUPAC Name

1,3,5-triazinane-2,4,6-trione;1,3,5-triazine-2,4,6-triamine
Computed by Lexichem TK 2.7.0 (PubChem release 2021.10.14)

2.1.2 InChI

InChI=1S/C3H6N6.C3H3N3O3/c4-1-7-2(5)9-3(6)8-1;7-1-4-2(8)6-3(9)5-1/h(H6,4,5,6,7,8,9);(H3,4,5,6,7,8,9)
Computed by InChI 1.0.6 (PubChem release 2021.10.14)

2.1.3 InChIKey

ZQKXQUJXLSSJCH-UHFFFAOYSA-N
Computed by InChI 1.0.6 (PubChem release 2021.10.14)

2.1.4 SMILES

C1(=NC(=NC(=N1)N)N)N.C1(=O)NC(=O)NC(=O)N1
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)

2.2 Molecular Formula

C3H6N6.C3H3N3O3
C6H9N9O3
Computed by PubChem 2.2 (PubChem release 2021.10.14)

2.3 Other Identifiers

2.3.1 CAS

37640-57-6

2.3.3 Deprecated CAS

1063700-80-0, 1355451-65-8, 1538605-90-1, 1609465-60-2, 165245-72-7, 2379521-03-4, 461386-70-9, 70371-20-9
100630-03-3, 1063700-80-0, 1355451-65-8, 153859-17-7, 1538605-90-1, 1609465-60-2, 165245-72-7, 2379521-03-4, 461386-70-9, 70371-20-9
1355451-65-8, 165245-72-7, 461386-70-9, 70371-20-9

2.3.4 European Community (EC) Number

2.3.5 DSSTox Substance ID

2.3.6 NSC Number

2.3.7 Wikidata

2.3.8 Wikipedia

2.4 Synonyms

2.4.1 MeSH Entry Terms

melamine cyanurate

2.4.2 Depositor-Supplied Synonyms

3 Chemical and Physical Properties

3.1 Computed Properties

Property Name
Molecular Weight
Property Value
255.20 g/mol
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Donor Count
Property Value
6
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Acceptor Count
Property Value
9
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
255.08283518 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Monoisotopic Mass
Property Value
255.08283518 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Topological Polar Surface Area
Property Value
204 Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Heavy Atom Count
Property Value
18
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
199
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
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 Physical Description

Dry Powder; Pellets or Large Crystals, Other Solid; Pellets or Large Crystals

3.3 Chemical Classes

3.3.1 Flame Retardants

Flame retardants
S47 | ECHAPLASTICS | A list from the Plastic Additives Initiative Mapping Exercise by ECHA | DOI:10.5281/zenodo.2658139

3.3.2 Polymers

Plastics -> Flame retardants
S47 | ECHAPLASTICS | A list from the Plastic Additives Initiative Mapping Exercise by ECHA | DOI:10.5281/zenodo.2658139
Plastics -> PUR; PA
S47 | ECHAPLASTICS | A list from the Plastic Additives Initiative Mapping Exercise by ECHA | DOI:10.5281/zenodo.2658139

4 Spectral Information

4.1 IR Spectra

4.1.1 ATR-IR Spectra

Source of Sample
Aldrich
Catalog Number
372420
Copyright
Copyright © 2018-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2018-2024 John Wiley & Sons, Inc. All Rights Reserved.
Thumbnail
Thumbnail

6 Chemical Vendors

7 Use and Manufacturing

7.1 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
Plastics -> Typical concentration range in plastic materials -> 5.0 - 30.0%
S47 | ECHAPLASTICS | A list from the Plastic Additives Initiative Mapping Exercise by ECHA | DOI:10.5281/zenodo.2658139

7.1.1 Use Classification

Plastics -> Flame retardants
S47 | ECHAPLASTICS | A list from the Plastic Additives Initiative Mapping Exercise by ECHA | DOI:10.5281/zenodo.2658139
Plastics -> Polymer Type -> PUR; PA
S47 | ECHAPLASTICS | A list from the Plastic Additives Initiative Mapping Exercise by ECHA | DOI:10.5281/zenodo.2658139

7.1.2 Industry Uses

  • Processing aids not otherwise specified
  • Flame retardants
  • Flame retardant

7.1.3 Consumer Uses

Flame retardants

7.2 U.S. Production

Aggregated Product Volume

2019: 500,000 - <1,000,000 lb

2018: 500,000 - <1,000,000 lb

2017: 500,000 - <1,000,000 lb

2016: 500,000 - <1,000,000 lb

7.3 General Manufacturing Information

Industry Processing Sectors
  • Custom Compounding of Purchased Resins
  • Construction
  • Synthetic Rubber Manufacturing
  • Plastics Material and Resin Manufacturing
  • Wood Product Manufacturing
  • Plastics Product Manufacturing
  • Rubber Product Manufacturing
  • Paint and Coating Manufacturing
  • Electrical Equipment, Appliance, and Component Manufacturing
  • Transportation Equipment Manufacturing
  • Adhesive Manufacturing
  • Asphalt Paving, Roofing, and Coating Materials Manufacturing
EPA TSCA Commercial Activity Status
EPA TSCA Regulatory Flag
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

8 Safety and Hazards

8.1 Hazards Identification

8.1.1 GHS Classification

Note
Pictograms displayed are for 91.6% (1071 of 1169) of reports that indicate hazard statements. This chemical does not meet GHS hazard criteria for 8.4% (98 of 1169) of reports.
Pictogram(s)
Health Hazard
Signal
Warning
GHS Hazard Statements

H361f (11%): Suspected of damaging fertility [Warning Reproductive toxicity]

H373 (91.5%): May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure]

Precautionary Statement Codes

P203, P260, P280, P318, P319, P405, and P501

(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 1169 reports by companies from 23 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Reported as not meeting GHS hazard criteria per 98 of 1169 reports by companies. For more detailed information, please visit ECHA C&L website.

There are 22 notifications provided by 1071 of 1169 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.

8.1.2 Hazard Classes and Categories

Repr. 2 (11%)

STOT RE 2 (91.5%)

8.2 Regulatory Information

The Australian Inventory of Industrial Chemicals
REACH Registered Substance
New Zealand EPA Inventory of Chemical Status
1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, compd. with 1,3,5-triazine-2,4,6-triamine (1:1): Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

9 Toxicity

9.1 Toxicological Information

9.1.1 Acute Effects

10 Associated Disorders and Diseases

11 Literature

11.1 Consolidated References

11.2 NLM Curated PubMed Citations

11.3 Springer Nature References

11.4 Chemical Co-Occurrences in Literature

11.5 Chemical-Gene Co-Occurrences in Literature

11.6 Chemical-Disease Co-Occurrences in Literature

12 Patents

12.1 Depositor-Supplied Patent Identifiers

12.2 WIPO PATENTSCOPE

12.3 Chemical Co-Occurrences in Patents

12.4 Chemical-Disease Co-Occurrences in Patents

12.5 Chemical-Gene Co-Occurrences in Patents

13 Biological Test Results

13.1 BioAssay Results

14 Classification

14.1 MeSH Tree

14.2 ChemIDplus

14.3 UN GHS Classification

14.4 EPA CPDat Classification

14.5 NORMAN Suspect List Exchange Classification

14.6 EPA DSSTox Classification

14.7 EPA TSCA and CDR Classification

14.8 EPA Substance Registry Services Tree

14.9 MolGenie Organic Chemistry Ontology

15 Information Sources

  1. Australian Industrial Chemicals Introduction Scheme (AICIS)
    1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, compound with 1,3,5-triazine-2,4,6-triamine (1:1)
    https://services.industrialchemicals.gov.au/search-inventory/
  2. CAS Common Chemistry
    LICENSE
    The data from CAS Common Chemistry is provided under a CC-BY-NC 4.0 license, unless otherwise stated.
    https://creativecommons.org/licenses/by-nc/4.0/
    1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, compd. with 1,3,5-triazine-2,4,6-triamine (1:?)
    https://commonchemistry.cas.org/detail?cas_rn=16133-31-6
    1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, polymer with 1,3,5-triazine-2,4,6-triamine
    https://commonchemistry.cas.org/detail?cas_rn=76067-50-0
  3. ChemIDplus
    1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, compound with 1,3,5-triazine-2,4,6-triamine
    https://pubchem.ncbi.nlm.nih.gov/substance/?source=chemidplus&sourceid=0016133316
    ChemIDplus Chemical Information Classification
    https://pubchem.ncbi.nlm.nih.gov/source/ChemIDplus
  4. DTP/NCI
    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
  5. 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
    1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, compd. with 1,3,5-triazine-2,4,6-triamine (1:1)
    https://www.epa.gov/chemical-data-reporting
  6. EPA Chemicals under the TSCA
    1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, compd. with 1,3,5-triazine-2,4,6-triamine (1:1)
    https://www.epa.gov/chemicals-under-tsca
    EPA TSCA Classification
    https://www.epa.gov/tsca-inventory
  7. EPA DSSTox
    1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, compd. with 1,3,5-triazine-2,4,6-triamine (1:1)
    https://comptox.epa.gov/dashboard/DTXSID3068043
    CompTox Chemicals Dashboard Chemical Lists
    https://comptox.epa.gov/dashboard/chemical-lists/
  8. 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
    1,3,5-triazine-2,4,6(1H,3H,5H)-trione, compound with 1,3,5-triazine-2,4,6-triamine (1:1)
    https://chem.echa.europa.eu/100.048.687
    1,3,5-triazine-2,4,6(1H,3H,5H)-trione, compound with 1,3,5-triazine-2,4,6-triamine
    https://echa.europa.eu/substance-information/-/substanceinfo/100.036.614
    1,3,5-triazine-2,4,6(1H,3H,5H)-trione, compound with 1,3,5-triazine-2,4,6-triamine (1:1) (EC: 253-575-7)
    https://echa.europa.eu/information-on-chemicals/cl-inventory-database/-/discli/details/94449
  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. Comparative Toxicogenomics Database (CTD)
    LICENSE
    It is to be used only for research and educational purposes. Any reproduction or use for commercial purpose is prohibited without the prior express written permission of NC State University.
    http://ctdbase.org/about/legal.jsp
  11. EPA Chemical and Products Database (CPDat)
    1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, compd. with 1,3,5-triazine-2,4,6-triamine (1:1)
    https://comptox.epa.gov/dashboard/DTXSID3068043#exposure
  12. 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/
  13. SpectraBase
    Cyanuric acid, compound with melamine
    https://spectrabase.com/spectrum/C4rkdoYK4rE
  14. Springer Nature
  15. Wikidata
  16. Wikipedia
  17. PubChem
  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. GHS Classification (UNECE)
  20. EPA Substance Registry Services
  21. MolGenie
    MolGenie Organic Chemistry Ontology
    https://github.com/MolGenie/ontology/
  22. PATENTSCOPE (WIPO)
CONTENTS