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Compound Groups

Compound groups are groups of chemicals that share structural or chemical features. In most cases, hazard lists will assign hazards to individual substances. Compound groups are useful because in some cases, lists will instead identify a group of structurally similar compounds (such as lead compounds) as all having the same hazard. The Pharos staff is in the process of establishing and populating compound groups, and associating warnings from the hazard lists with them. The table below indicates how each compound group is populated, and what is the status of its population.
Compound Groups
COMPOUND GROUP NAME POPULATION STATUS DATE POPULATED DESCRIPTION PROFILE TYPE # MEMBERS # HAZARDS
salts of aconitine incomplete

This compound group has not yet been assigned a structural definition.

other 1 3
salts of atropine incomplete

This compound group has not yet been assigned a structural definition.

other 1 3
salts of dichlorprop incomplete

This compound group has not yet been assigned a structural definition.

other 1 3
salts of glyphosate incomplete

This compound group has not yet been assigned a structural definition.

other 1 0
Salts of hydrogen cyanide with the exception of complex cyanides and those specified elsewhere in Annex VI of Regulation (EC) No 1272/2008 incomplete

This compound group has not yet been assigned a structural definition.  Complex cyanides include ferrocyanides, ferricyanides and mercuric oxycyanide.

Omitted chemicals (those specified in Annex VI) include 

  • calcium cyanide
  • nickel dicyanide
  • cadmium cyanide
  • Gold cyanide
  • Platinum dicyanide
  • Mercury dicyanide
  • Potassium cyanide
  • Zinc cyanide
  • Tetraethylammonium cyanide
  • Silver cyanide
  • Sodium cyanide
  • Barium cyanide
  • Cadmium dipotassium tetracyanide
  • Benzoyl cyanide
  • Palladium dicyanide
  • Copper cyanide
  • Tetrabutylammonium cyanide
other 10 13
salts of hyoscine incomplete

This compound group has not yet been assigned a structural definition.

other 1 4
salts of hyoscyamine incomplete

This compound group has not yet been assigned a structural definition.

other 1 3
salts of oxalic acid incomplete

This compound group has not yet been assigned a structural definition.

other 2 0
salts of physostigmine incomplete

This compound group has not yet been assigned a structural definition.

other 0 2
salts of picric acid incomplete

This compound group has not yet been assigned a structural definition.

other 0 4
salts of pilocarpine incomplete

This compound group has not yet been assigned a structural definition.

other 1 3
Selenium compounds, inorganic in progress This compound group is defined by the SMILES string '[Se]' and subsequently filtered to remove substances containing '[C]'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. other 0 2
Sepiolite compounds incomplete This compound group has not yet been assigned a structural definition. other 3 1
Short-Chain Chlorinated Paraffins (SCCP) incomplete

This compound group has not yet been assigned a structural definition.

other 3 9
SILANE & SILOXANES GROUP incomplete This compound group has not yet been assigned a structural definition. other 47 0
Silanes incomplete This compound group has not yet been assigned a structural definition. other 27 0
Slack wax (petroleum), treated Slack wax incomplete This compound group has not yet been assigned a structural definition. other 10 1
Solvent naphtha (coal), and related compounds incomplete This compound group has not yet been assigned a structural definition. other 7 1
Solvent naphtha (petroleum), and related processed products incomplete This compound group has not yet been assigned a structural definition. other 15 1
Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 2',4',5',7'-tetrabromo-3',6'-dihydroxy- (eosin and related compounds) incomplete This compound group has not yet been assigned a structural definition. other 11 1
Strong Inorganic Acid Mists Containing Sulfuric Acid incomplete

This group has not been assigned a structural definition yet.

other 0 1
Styrene and derivatives incomplete This compound group has not yet been assigned a structural definition. other 26 1
Tail gas (petroleum), processed, distillates and fractions incomplete This compound group has not yet been assigned a structural definition. other 31 1
Tar acids, distillate phenols, crude phenols and other related fractions incomplete This compound group has not yet been assigned a structural definition. other 14 1
Tar bases, coal and other Distillate Bases incomplete This compound group has not yet been assigned a structural definition. other 10 1
Tar oils, coal and oil fractions incomplete This compound group has not yet been assigned a structural definition. other 3 1
Tar, brown-coal incomplete This compound group has not yet been assigned a structural definition. other 2 1
Tars, coal incomplete This compound group has not yet been assigned a structural definition. other 8 1
Tetraalkyl lead compounds in progress

This compound group has not yet been assigned a structural definition.

One approach would be to use the SMILES string 'C[Pb](*C)(C)C' and remove substances containing 'c[Pb]' (lowercase specifies aromatic). There are technical challenges since PubChem doesn't seem to provide an option to distinguish between aromatic and aliphatic carbons. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system.

other 22 58
Tetrachlorobenzenes complete This compound group has not yet been assigned a structural definition. other 4 7
TETRACYCLINES incomplete This compound group has not yet been assigned a structural definition. other 0 1
THALLIUM (I), SOLUBLE SALTS incomplete This compound group has not yet been assigned a structural definition. other 7 4
Thiazoles incomplete

This compound group is defined by the SMILES string 'C1=CSC=N1'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system.

other 0 1
Thioglycolates incomplete This compound group has not yet been assigned a structural definition. other 0 2
Thiurams incomplete This compound group has not yet been assigned a structural definition. other 0 1
TIN COMPOUNDS, INORGANIC in progress This compound group is defined by the SMILES string '[Sn]' and subsequently filtered to remove substances containing '[C]'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. other 2 5
Titanium dioxide compounds incomplete

This compound group has not yet been assigned a structural definition.

other 9 10
Toluenediisocyanates (MAK list) incomplete

This groups is populated from three chemicals in the MAK list.

other 0 2
Toxic Heavy Metals incomplete

Compounds containing 

  • Arsenic
  • Cadmium
  • Chromium VI
  • Lead
  • Mercury
other 5026 1
Trialkyl tin hydroxide incomplete

This compound group has not yet been assigned a structural definition.

Distinguishing between alkyl and aryl side chains is not straightforward in PubChem's substructure searches. The SMILES string "[CH2][Sn]([CH2])([CH2])[OH]" captures the relevant groups but is not specific enough.

other 0 5
Trialkyltinhydroxide, salts incomplete

This compound group has not yet been assigned a structural definition.

other 0 5
Trialkyltinoxide incomplete

This compound group has not yet been assigned a structural definition.

other 0 5
Triaryl tin hydroxide incomplete

This compound group has not yet been assigned a structural definition.

other 0 5
Tributyltin compounds, with the exception of those specified elsewhere in Annex VI of Regulation (EC) No 1272/2008 incomplete

This compound group is populated by taking the more general compound group and subtracting the chemicals found in the relevent Annex.

other 114 34
Tributyltin compounds, with the exception of those specified elsewhere in Annex XVII of Regulation (EC) No 1907/2006 incomplete

This compound group is populated by taking the more general compound group and subtracting the chemicals found in the relevent Annex.

other 114 27
Trichlorobenzenes complete This compound group has not yet been assigned a structural definition. other 4 6
Trichlorophenol and its salts incomplete

This compound group has not yet been assigned a structural definition.

other 9 0
Trihalomethanes incomplete This compound group is defined by the SMILES string '[CH]([F,Cl,Br,I])([F,Cl,Br,I])[F,Cl,Br,I]'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. other 4 1
Trimethylbenzene isomers incomplete This compound group has not yet been assigned a structural definition. other 3 2
Trimethylhexamethylene-1,6-di-isocyanates incomplete This compound group has not yet been assigned a structural definition. other 2 1
Trimethylpentane isomers incomplete This compound group has not yet been assigned a structural definition. other 10 1
Trimethyltin compounds, with the exception of those specified elsewhere in Annex VI of Regulation (EC) No 1272/2008 incomplete

This compound group is populated by taking the more general compound group and subtracting the chemicals found in the relevent Annex.

other 2 14
Trinickel, other salts incomplete This compound group has not yet been assigned a structural definition. other 6 1
Triphenyltin compounds, with the exception of those specified elsewhere in Annex VI of Regulation (EC) No 1272/2008 incomplete

This compound group is populated by taking the more general compound group and subtracting the chemicals found in the relevent Annex.

other 3 24
Triphenyltin fatty acid ester (alkyl C=9-11) incomplete This compound group has not yet been assigned a structural definition. other 0 21
Tripropyltin compounds, with the exception of those specified elsewhere in Annex VI of Regulation (EC) No 1272/2008 incomplete

This compound group is populated by taking the more general compound group and subtracting the chemicals found in the relevent Annex.

other 0 12
Uranium compounds with the exception of those specified elsewhere in Annex VI of Regulation (EC) No 1272/2008 incomplete

This compound group is populated by taking the more general compound group and subtracting the chemicals found in the relevent Annex.

other 3 6
Uranium compounds, insoluble incomplete This compound group has not yet been assigned a structural definition. other 0 2
Uranium compounds, soluble inorganic incomplete This compound group has not yet been assigned a structural definition. other 0 4
Vanadium compounds, inorganic in progress This compound group is defined by the SMILES string '[V]' and subsequently filtered to remove substances containing '[C]'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. other 1 3
Vinyl halides complete

This compound group is composed of four chemicals so no substructure search is needed to populate it

other 4 2
Volatile esters of bromoacetic acids incomplete This compound group has not yet been assigned a structural definition. other 0 1
Volatile Methylated Siloxanes (VMS) incomplete

This compound group has not yet been assigned a structural definition.

other 8 2
VOLATILE ORGANIC COMPOUNDS incomplete This compound group has not yet been assigned a structural definition. other 1 0
Warfarin, salts incomplete

This compound group has not yet been assigned a structural definition.

other 1 5
XYLENE COMPOUNDS incomplete This compound group has not yet been assigned a structural definition. other 16 2
Xylidine isomers incomplete

This compound group has not yet been assigned a structural definition.

other 9 1
Xylidines with the exception of those specified elsewhere in Annex VI of Regulation (EC) No 1272/2008 incomplete

This compound group is populated by taking the more general compound group and subtracting the chemicals found in the relevent Annex.

other 6 6
Zinc Alloys incomplete

This compound group has not yet been assigned a structural definition.

other 0 0
Zirconium, insoluble compounds incomplete This compound group has not yet been assigned a structural definition. other 0 4
Zirconium, soluble compounds incomplete This compound group has not yet been assigned a structural definition. other 0 3
Amylases incomplete This compound group has not yet been assigned a structural definition. functional use 23 1
Antimicrobials incomplete

The term “antimicrobials” is a general term to describe a variety of substances that kill or control the growth of microbes, including bacteria and fungi.

These substances are regulated as pesticides by the US Environmental Protection Agency and can present hazards to human and/or environmental health.

A great number of products on the market incorporate antimicrobials into their composition because they require preservation.  Water-based formulations and certain polymers are vulnerable to microbes that would otherwise feed on these materials and over time compromise their performance or appearance.

Some products on the market may include antimicrobials not for preservation, but to kill microbes that might make us sick.  However, to date there is no evidence that adding antimicrobials these products result in healthier populations, and the Centers for Disease Control & Prevention (CDC) and Food and Drug Administration (FDA) have both issued statements advising that adding antimicrobials to such products are unnecessary.

The inclusion of antimicrobials in finished products – especially when used as preservatives – is not always disclosed and it may be difficult to determine what additives are present, and in what amounts.

This is a partial list of antimicrobial additives that may be present in building products as identified by Healthy Building Network in 2016.  

Sources include the FDA: https://www.federalregister.gov/articles/2016/09/06/2016-21337/safety-and-effectiveness-of-consumer-antiseptics-topical-antimicrobial-drug-products-for

functional use 412 0
Antimicrobials used in building products incomplete This compound group has not yet been assigned a structural definition. functional use 42 0
Azocolourants and Azodyes complete 10/16/20

This compound group is populated from multiple sources, including the AZODYES chemical list at https://comptox.epa.gov/dashboard/chemical_lists/AZODYES.

functional use 322 1
Biocides incomplete

This compound group has not yet been assigned a structural definition.

functional use 381 0
Brominated and chlorinated organic compounds used as flame retardants - Biomonitoring CA incomplete

This group is populated from the list at https://biomonitoring.ca.gov/chemicals

functional use 0 0
BROMINATED FLAME RETARDANTS (BFR) incomplete This compound group has not yet been assigned a structural definition. functional use 176 10
CHLORINATED FLAME RETARDANTS (CFRs) incomplete

This compound group has not yet been assigned a structural definition.

functional use 36 8
Flame Retardants incomplete

This compound group is populated by its subgroups and literature searches for flame retardants. Please contact support@pharosproject.net with any suggestions or additions.

functional use 415 0
Flame Retardants, non-halogenated, non-organophosphorous incomplete

This group includes minerals, amines, and inorganic phosphates

functional use 21 0
Formaldehyde based binders incomplete This compound group has not yet been assigned a structural definition. functional use 12 3
Formaldehyde Donors complete 05/29/20

This compound group is populated from a list of chemicals in an ECHA Investigation Report - Formaldehyde and Formaldehyde Releasers as well as manual searches. Report downloaded from https://echa.europa.eu/documents/10162/13641/annex_xv_report_formaldehyde_en.pdf/58be2f0a-7ca7-264d-a594-da5051a1c74b

functional use 54 0
Halogenated Flame Retardants (HFRs) incomplete 05/01/19

This compound group is populated by its subgroups, including a National Academies of Science report "A Class Approach to Hazard Assessment of Organohalogen Flame Retardants (2019)" available at https://www.nap.edu/catalog/25412/a-class-approach-to-hazard-assessment-of-organohalogen-flame-retardants

functional use 270 6
Halogenated Solvents complete 05/17/17

Includes chemicals from https://www.portlandoregon.gov/water/article/28482

functional use 78 4
NON HALOGENATED FLAME RETARDANTS incomplete This compound group has not yet been assigned a structural definition. functional use 55 0
Organophosphorous flame retardants (OPFRs) incomplete

This compound group is populated from lists of organophosphorous / organophosphate flame retardants from multiple commercial and academic sources.

functional use 99 3
Oxazolidine formaldehyde releasers in progress 06/03/20

This compound group was populated by a manual search.

functional use 4 0
proteases incomplete

This compound group has not yet been assigned a structural definition.

functional use 2 0
1-Heptanesulfonamide, decafluorinated compounds (CA SCP list) complete

This compound group is populated from the CA Safer Consumer Products list at https://dtsc.ca.gov/scp/.

fixed list 10 11
Antimicrobials used in food production - Biomonitoring CA incomplete

This group is populated from the list at https://biomonitoring.ca.gov/chemicals

fixed list 0 0
ARISTOLOCHIC ACIDS complete 07/09/19

Aristolochic Acid I and II are the most common.

https://toxnet.nlm.nih.gov/cgi-bin/sis/search/a?dbs+hsdb:@term+@DOCNO+7179

fixed list 3 4
Biocidal coatings / biocidal additives (GADSL list) incomplete

This compound group was populated from the 2016 GADSL list at http://www.gadsl.org/

fixed list 378 0
C1-C4 Halogenated Hydrocarbons (TRI Category) 03/09/21

This compound group was populated using a list of chemicals that are reportable under the MA Toxics Use Reduction Act (TURA). See https://www.mass.gov/guides/massdep-toxics-use-reduction-program#-listed-chemicals- for more information.

fixed list 316 1
Certain Phthalates (OSPAR) incomplete

DBP and DEHP were added to the OSPAR List of Chemicals for Priority Action in 1998 as part of the group “certain phthalates”. https://www.ospar.org/documents?v=7028

fixed list 4 12
Chlorinated Organic Solvents in Google's MRSL complete 02/12/21

This compound group was populated from the Google Manufacturing Restricted Substances Specification (v1.0) (TTD_3549)

fixed list 21 1
chloroanilines with the exception of those specified elsewhere in Annex VI of Regulation (EC) No 1272/2008 complete

This compound group is composed of the 5 isomers not explicitly included in Annex VI of Regulation (EC) No 1272/2008 (CLP Regulation). Total number of isomers: monochloroanilines (3 isomers), dichloroanilines (6 isomers), trichloroanilines (6 isomers), tetrachloroanilines (3 isomers) and pentachloroaniline (1 isomer). 

  • 3,4-dichloroaniline
  • 3,5-dichloroaniline
  • 2,3,5-trichloroaniline
  • 2,3,6-trichloroaniline
  • 2,3,4,6-tetrachloroaniline

The following isomers are not included, because they are listed in the Annex as of 7/9/19:

fixed list 5 6
cobalt compounds that release cobalt ions in vivo complete 10/31/17

This compound group has not yet been assigned a structural definition.

fixed list 15 1
Compounds Potentially Degrading to PFOS incomplete

List extracted from Annex 1 of 

Dossier prepared in support for a nomination of PFOS to the UN-ECE LRTAP Protocol and the Stockholm Convention

The dossier is prepared by the Swedish Chemicals Inspectorate (KemI) and the Swedish EPA, Sweden August 2004

fixed list 94 7
Cyclocyloxanes - Biomonitoring CA complete

This group is populated from the list at https://biomonitoring.ca.gov/chemicals

fixed list 3 0