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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
Brompheniramine and its salts incomplete This compound group has not yet been assigned a structural definition. structure 1 1
Bromoxynil salts incomplete

This compound group is defined by the SMILES string 'C1=C(C=C(C(=C1Br)O)Br)C#N'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system.

structure 1 0
Bromofluorocarbons incomplete

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

other 8 1
Brominated Organic Solvents - Apple RSL complete

This compound group is populated from Apple's Regulated Substances Specification

fixed list 7 2
Brominated Organic Compounds incomplete This compound group is defined by the SMILES string 'C[Br]'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. structure 967 6
Brominated Flame Retardants (BFR) incomplete

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

functional use 263 23
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 2
BORON COMPOUNDS incomplete This compound group is defined by the SMILES string '[B]'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. element 247 4
Boric Acid and its salts, Sodium borate, MIPA-Borate, MEA-Borate in progress 08/07/23

C2C v4

21 1
Blasticidin-S, salts incomplete

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

other 0 1
Bitumens in progress

This compound group is defined based on IARC Monograph 103 at https://monographs.iarc.fr/wp-content/uploads/2018/06/mono103.pdf.

"This monograph concerns only bitumens produced by petroleum refining and not naturally ocurring bitumens. Thus the term "bitumens", as used in this volume, refers to the products derived from residues resulting from vacuum distillation of selected petroleum crude oils."

8 2
Bisphenol Chemicals - Apple RSL complete

This compound group is populated from Apple's Regulated Substances Specification

fixed list 18 1
Bisphenol A (BPA)-based chemicals and polymers complete

This compound group is a curated selection of compounds in the Pharos database whose names include Bisphenol A.

159 1
Bisphenol A (BPA) Structural Analogues incomplete

This compound group was populated in part from chemicals in the NTP Research Report on Biological Activity of Bisphenol A (BPA) Structural Analogues and Functional Alternatives: Research Report 4, National Toxicology Program, October 2017.

https://ntp.niehs.nih.gov/ntp/results/pubs/rr/reports/rr04_508.pdf

 

The following chemicals were incorporated from HBN research:

  • 127-54-8 Bisphenol G
  • 13595-25-0 Bisphenol M
  • 129188-99-4 Bisphenol TMC
  • 599-64-4 2-PHENYL-2-(4-HYDROXYPHENYL)PROPANE
other 35 1
bis(2-ethylhexyl) tetrabromophthalate covering any of the individual isomers and/or combinations thereof

ECHA defined chemical group parent

3 4
Biphenamine and its salts, 2-Diethylaminoethyl 3-hydroxy-4-phenylbenzoate incomplete This compound group has not yet been assigned a structural definition. structure 1 1
Biocides incomplete

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

functional use 453 2
Biocidal coatings / biocidal additives (GADSL list) incomplete

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

fixed list 450 2
Biocidal active substances complete

List of active substances that need to be approved before an authorisation for a biocidal product containing them can be granted with the status:

Initial application for approval in progress, Approved, Approved Other updates in progress, Approved Renewal in progress.

fixed list 272 1
Betoxycaine and its salts incomplete This compound group has not yet been assigned a structural definition. structure 1 1
Beryllium inorganic compounds in progress This compound group is defined by the SMILES string '[Be]' 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 3
beryllium compounds with the exception of aluminium beryllium silicates, and with 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.This compound group is populated by taking the more general compound group and subtracting the chemicals found in the relevent Annex.

137 29
BERYLLIUM COMPOUNDS in progress

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

This definition is based on the scope of the IARC listing, most recently in monograph 100C: "Synonyms and molecular formulae for beryllium, beryllium–aluminium and beryllium– copper alloys, and certain beryllium compounds are presented in Table 1.1. The list is not exhaustive, nor does it comprise necessarily the most commercially important beryllium-containing substances; rather, it indicates the range of beryllium compounds available."

http://publications.iarc.fr/120

element 140 17
Benzodiazepines incomplete

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

other 3 3
Benzo[b]thiophen-3(2H)-one, (and related compounds) incomplete This compound group has not yet been assigned a structural definition. other 5 0
Benzidine-related compounds / Benzidine derivatives incomplete

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

116 1
BENZIDINE-BASED DYES incomplete This compound group has not yet been assigned a structural definition. other 49 19
BENZIDINE SALTS in progress

This compound group is defined by the SMILES string '[CH]1=[CH][C](=[CH][CH]=C1C2=[CH][CH]=[C]([CH]=[CH]2)[ND1])[ND1]'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system.

structure 39 12
benzidine based azo dyes 4,4'-diarylazobiphenyl dyes, with the exception of those specified elsewhere in this annex incomplete

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

0 22
Benzenesulfonic acid, and other substituted compounds incomplete This compound group has not yet been assigned a structural definition. other 10 0
Benzenedicarboxylic acid, branched and linear alkyl esters incomplete This compound group has not yet been assigned a structural definition. other 3 0
Benzenediamine, N,N'-mixed (phenyl, tolyl and xylyl derivatives of) incomplete This compound group has not yet been assigned a structural definition. other 2 0
Benzene, Halogenated derivatives incomplete This compound group has not yet been assigned a structural definition. other 25 3
Benzatropine and its salts incomplete This compound group has not yet been assigned a structural definition. structure 1 1
Bendroflumethiazide and its derivatives incomplete This compound group has not yet been assigned a structural definition. structure 1 1
barium salts, with the exception of barium sulphate, salts of 1-azo-2-hydroxynaphthalenyl aryl sulphonic acid, and of salts 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.

2 3
Barium Salts complete 08/03/18

This compound group is defined by the SMILES string '[BaD0]'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system.

573 1
Barium compounds, soluble complete 03/09/20

This compound group is populated from a list of soluble Barium compounds in https://www.atsdr.cdc.gov/toxprofiles/tp24-c4.pdf.

other 11 7
BARIUM COMPOUNDS in progress This compound group is defined by the SMILES string '[Ba]'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. element 73 6
Barbiturates incomplete

This group has not been assigned a structural definition yet.

0 4
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 346 2
Azo Dyes, Arylamines, and Anilines - Apple RSS complete

This compound group is populated from Apple's Regulated Substances Specification

fixed list 24 1
Azacyclonol and its salts incomplete This compound group has not yet been assigned a structural definition. structure 1 1
Asbestos Fibers complete 06/04/18

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

other 12 12
Asbestos compounds incomplete This compound group has not yet been assigned a structural definition. other 28 12
Arsenous acid salts in progress

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

other 5 44
ARSENIC, INORGANIC OXIDES complete 08/09/18 This compound group has not yet been assigned a structural definition. other 8 47
arsenic 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.

1990 40
Arsenic Compounds, Soluble incomplete

This compound group was populated from Table 1 of "Arsenic, inorganic and soluble salts Evaluation of health hazards and proposal of a health-based quality criterion for drinking water" Environmental Project No. 1532, 2014. Danish Ministry of the Environment at https://www2.mst.dk/Udgiv/publications/2014/01/978-87-93026-86-5.pdf

other 14 37
ARSENIC COMPOUNDS, ORGANIC complete 08/15/16 This compound group is defined by the SMILES string 'C[As]'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. structure 1615 36
ARSENIC COMPOUNDS, INORGANIC in progress This compound group is defined by the SMILES string '[As]' 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 457 44
ARSENIC COMPOUNDS in progress This compound group is defined by the SMILES string '[As]'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. element 2342 36
Arsenic Acid Salts complete 08/15/16

This compound group is defined by the SMILES/SMARTS string "[OD1][As](=[OD1])([OD1])[OD1]" and populated from a substructure search of PubChem.. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system.

structure 154 46
Arsenic acid and its salts 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.

110 48
arsenic acid and its salts 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.

113 53
Aromatic hydrocarbons, various fractions, treated or distillation, Pyrolysis Products incomplete This compound group has not yet been assigned a structural definition. other 13 0
Aromatic Hydrocarbon oils, - mixed incomplete This compound group has not yet been assigned a structural definition. other 3 0
Aromatic Azo Compounds incomplete

This compound group is defined by the SMILES string 'C1=CC=C(C=C1)N=NC2=CC=CC=C2'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system.

other 12 0
Aromatic amines incomplete

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

other 50 0
ARISTOLOCHIC ACIDS complete 07/09/19

Aristolochic Acid I and II are the most common.

https://pubchem.ncbi.nlm.nih.gov/source/hsdb/7179

fixed list 3 7
Apomorphine and its salts incomplete This compound group has not yet been assigned a structural definition. structure 1 1
antimony compounds, with the exception of the tetroxide (Sb2O4), pentoxide (Sb2O5), trisulphide (Sb2S3), pentasulphide (Sb2S5) and 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.

325 25
Antimony Compounds, Organic complete 06/06/18

This compound group is defined by the SMILES string 'C[Sb]'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system.

structure 239 22
Antimony compounds, inorganic in progress This compound group is defined by the SMILES string '[Sb]' 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 319 28
Antimony Compounds complete 06/06/18

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

element 978 22
Antimicrobials used in food production - Biomonitoring CA incomplete

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

fixed list 0 3
Antimicrobials used in building products incomplete This compound group has not yet been assigned a structural definition. functional use 52 2
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 490 2
Anthracene oil, extracts and pastes incomplete This compound group has not yet been assigned a structural definition. other 10 0
Aniline homologs incomplete This compound group has not yet been assigned a structural definition. other 0 3
Anhydrides, tetrahydrophthalic incomplete This compound group has not yet been assigned a structural definition. other 4 0
Anhydrides, tetrahydro- methylphthalic incomplete This compound group has not yet been assigned a structural definition. other 7 0
Anhydrides, dicarboxylic and methanophthalic incomplete This compound group has not yet been assigned a structural definition. other 3 0
Angiotensin converting enzyme (ACE) inhibitors incomplete

This group has not been assigned a structural definition yet.

0 3
Anabolic steroids incomplete

This group has not been assigned a structural definition yet.

0 5
Anabasin, salts incomplete

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

other 0 1
Amylocaine and its salts incomplete

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

structure 1 1
amylases with the exception of those specified elsewhere in this Annex incomplete

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

14 2
Amylases incomplete This compound group has not yet been assigned a structural definition. functional use 25 0
Amorphous silica subgroups (MAK list) incomplete

This compound group has been populated using subgroups listed by MAK Commission of Germany.

other 15 1
Amitriptyline and its salts incomplete This compound group has not yet been assigned a structural definition. structure 1 1
Aminoglycosides incomplete

This group has not been assigned a structural definition yet.

0 4
ALUMINUM COMPOUNDS in progress

This compound group is populated from some of the aluminum compounds in Pharos. The AOEC listing is applied to the specific chemicals listed in their database rather than the entire group.

element 104 5
Aluminosilicate Refractory Ceramic Fibres

Aluminosilicate Refractory Ceramic Fibres are fibres covered by index number 650-017-00-8 in Annex VI, part 3, table 3.1 of Regulation (EC) No 1272/2008 of the European Parliament and of the Council of 16 December 2008 on classification, labelling and packaging of substances and mixtures, and fulfil the three following conditions:  a) oxides of aluminium and silicon are the main components present (in the fibres) within variable concentration ranges b) fibres have a length weighted geometric mean diameter less two standard geometric errors of 6 or less micrometres (µm) c) alkaline oxide and alkali earth oxide (Na2O+K2O+CaO+MgO+BaO) content less or equal to 18% by weight.

ECHA chemical group parent

1 25
Aluminium zirconium chloride hydroxide glycine complexes incomplete This compound group has not yet been assigned a structural definition. structure 1 1
aluminium alkyls incomplete

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

other 0 8
alpha-Chlorinated toluenes complete

From IARC: mixture of Benzoyl chloride [98-88-4], Benzyl chloride [100-44-7], Benzyl dichloride [98-87-3], and Benzyl trichloride [98-07-7]

fixed list 4 2
Alloclamide and its salts incomplete This compound group has not yet been assigned a structural definition. structure 1 1
Alkylpyrrolidones incomplete

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

structure 7 0
Alkylphenols and related compounds complete 07/28/17

This group is populated by more specific groups of alkylphenols and alkylphenol ethoxylates.

other 587 4
Alkylphenol Ethoxylates incomplete

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

other 417 4
Alkenes, C12-14, hydroformylation products, (and distn. residues, ethoxylated or propoxylated), dihydrogen phosphates, sodium salts incomplete This compound group has not yet been assigned a structural definition. other 2 0
Alkanes, Petroleum gas (C1-C5 various factions) incomplete This compound group has not yet been assigned a structural definition. other 5 0
Alkanes, C6-C28 chloro- factions incomplete This compound group has not yet been assigned a structural definition. other 7 6
alkali salts and alkali earth salts of thiocyanic acid, with the exception of those specified elsewhere in this Annex incomplete

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

0 4
alkali salts and alkali earth salts of thiocyanic acid incomplete

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

structure 1 0
Alkali persulfates (Sah) incomplete This compound group has not yet been assigned a structural definition. other 0 1
Aflatoxins complete 03/08/18

Group members were obtained from IARC VOL.: 82 (2002) (p. 171)

6 4
Adhesive monomers Group II - Apple RSL complete fixed list 21 1
Adhesive monomers Group I - Apple RSL complete

This compound group is populated from Apple's Regulated Substances Specification

fixed list 12 1