Skip to main content

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
4,4'-[2,2,2-trifluoro-1-(trifluoromethyl)ethylidene]diphenol and its salts fixed list 9 1
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 27
Benzidine based azo dyes 0 1
Benzotriazole; sodium 1H-benzotriazolide; potassium 1H-benzotriazolide; and other inorganic salts 0 1
bis(2-ethylhexyl) tetrabromophthalate covering any of the individual isomers and/or combinations thereof

ECHA defined chemical group parent

3 6
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 347 5
Cresyl glycidyl ethers

includes Cresyl glycidyl ether (mixture of isomers) 26447-14-3 and o-Cresyl glycidyl ether 2210-79-9 from MAK

fixed list 2 2
Diisocyanates (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 24 8
Diisopentyl phthalate; di-n-pentyl phthalate; 1,2-benzenedicarboxylic acid, dipentyl ester, branched and linear; n-pentyl-isopentyl phthalate 0 1
Dioxin and Dioxin-like Compounds (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 17 19
DSL Inorganics fixed list 1474 0
DSL Organic-metal salt fixed list 456 0
DSL Organics fixed list 12004 0
DSL Organometallics fixed list 920 0
DSL Polymers fixed list 4930 0
DSL UVCBs-biological fixed list 1887 0
DSL UVCBs-inorganic fixed list 369 0
DSL UVCBs-organic fixed list 1518 0
DSL UVCBs-organic-metal salts fixed list 288 0
DSL UVCBs-organometallic fixed list 252 0
DSL UVCBs-polymer fixed list 317 0
ETHYLENEBISDITHIOCARBAMIC ACID, SALTS AND ESTERS 7 1
Fatty acid dialkylamides and dialkanolamides 2 0
Halogenated diphenyl methanes 3 1
Hexabromocyclodecane (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 4 2
Inks containing 30% acrylic acid, 30% hydroxy-propanoic acid CAS# 79-33-4, 25% bronze powder (copper CAS # 7440-50-8 and tin CAS #7440-31-5, 10% ethanol CAS # 64-17-5 and 4% white spirit. [79-10-7, 79-33-4, 7440-50-8, 7440-31-5, 64-17-5] 0 1
methylphenylenediamines, their n- substituted derivatives and their salts 8 1
Monoalkylamines, monoalkanolamines and their salts 18 1
n-substituted derivatives of p-phenylenediamine and their salts 4 1
Nitrate compounds (water dissociable) 0 1
Non hexavalent chromium compounds excluding Chromium III oxides 0 1
Nonphenol Ethoxylates (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 205 43
Nonphenols (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 9 35
o-Dianisidine based azo dyes 0 1
Organophosphate Ester Flame Retardants (OPE FR)

This compound group is populated from combined lists of organophosphorous flame retardants and only includes those that are organophosphate esters. This list is affiliated with Cradle to Cradle Certified® and Green Science Policy Institute.

229 8
Organophosphate Pesticides, NOS 0 1
perchloric acid and its salts 0 1
Perfluoroheptanoic acid and its salts 04/24/23

ECHA defined chemical group

4 12
Photoinitiators - Apple RSS

Chemicals that generate reactive species (free radicals, cations, anions) when exposed to a radiation (UV or visible light), initiating a chemical reaction with monomers to trigger a polymerization reaction. Photointiators are typically used in processes like UV curing for coatings, adhesives and inks.

19 1
Polychlorophenols and their sodium salts 04/13/20 9 3
Polycyclic Aromatic Compounds (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 31 9
Radioactive Elements 11 3
Silver Compounds 1 1
Soluble Halogenated Platinum Compounds, NOS 0 1
sunscreens 9 0
Synthetic mineral fiber (except for RCF) 2 4
Thioglycolic acid and its salts

CASRN taken from https://ntp.niehs.nih.gov/ntp/htdocs/chem_background/exsumpdf/sodiumthioglycolate_508.pdf

4 2
thioglycolic acid esters

CASRN taken from https://ntp.niehs.nih.gov/ntp/htdocs/chem_background/exsumpdf/sodiumthioglycolate_508.pdf

1 1
Toxic Metals structure 10735 1
trialkylamines, trialkanolamines and their salts 6 2
Triglycerides

lard oil, palm kernel oil, palm oil, rapeseed oil, soybean oil from MAK

fixed list 8 1
UV Stabilizers - Apple RSS

Chemicals that are intentionally added to protect materials like plastics, rubbers, and textiles from the damaging effects of ultraviolet (UV) light, extending their lifespan and preventing degradation. This includes but is not limited to benzophenone (BP), benzotriazole (BZT), and hindered amine light stabilizer (HALS) based structures.

15 1
Vanadium Compounds 254 3
water soluble zinc salts 7 1
Zirconia Aluminosilicate Refractory Ceramic Fibres

Zirconia 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, silicon and zirconium 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

2 21
(±)-1,7,7-trimethyl-3-[(4-methylphenyl)methylene]bicyclo[2.2.1]heptan-2-one covering any of the individual isomers and/or combinations thereof (4-MBC) complete

Ful name: (±)-1,7,7-trimethyl-3-[(4-methylphenyl)methylene]bicyclo[2.2.1]heptan-2-one covering any of the individual isomers and/or combinations thereof (4-MBC)

ECHA chemical group parent

8 7
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 28
1,2-benzenedicarboxylic acid, di-C6-10-alkyl esters or mixed decyl and hexyl and octyl diesters complete 02/27/23

with ≥ 0.3% of dihexyl phthalate (EC No. 201-559-5)

ECHA chemical group parent

2 7
1,6,7,8,9,14,15,16,17,17,18,18-Dodecachloropentacyclo[12.2.1.16,9.02,13.05,10]octadeca-7,15-diene (“Dechlorane Plus”™) complete 02/27/23

covering any of its individual anti- and syn-isomers or any combination thereof

ECHA chemical group parent

11 6
2-(4-tert-butylbenzyl)propionaldehyde and its individual stereoisomers complete 02/27/23

ECHA chemical group parent

2 7
2-ethylhexanoic acid and its salts, with the exception of those specified elsewhere in this Annex complete 05/22/23

ECHA defined chemical group

fixed list 11 8
2-naphthylamine salts complete

This compound group is defined by a substructure search of PubChem the SMILES/SMARTS string "[CH1]2=[CH1][CH1]=C1[CH1]=C([CH1]=[CH1]C1=[CH1]2)[ND1]". The setting "Remove any explicit hydrogens before searching" was deselected from the substructure search. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system.

 

structure 8 12
2,2-bis(bromomethyl)propane-1,3-diol (BMP); 2,2-dimethylpropan-1-ol, tribromo derivative/3-bromo-2,2-bis(bromomethyl)-1-propanol (TBNPA); 2,3-dibromo-1-propanol (2,3-DBPA) complete 02/27/23

ECHA chemical group parent

6 6
2,3,3,3-tetrafluoro-2-(heptafluoropropoxy)propionic acid, its salts and its acyl halides complete

covering any of their individual isomers and combinations thereof

ECHA chemical group parent

6 7
2,4,5-TRIMETHYLANILINE STRONG ACID SALTS complete

The only strong acid salt found was the HCl salt.

other 2 3
4-heptylphenol, branched and linear complete 02/27/23

substances with a linear and/or branched alkyl chain with a carbon number of 7 covalently bound predominantly in position 4 to phenol, covering also UVCB- and well-defined substances which include any of the individual isomers or a combination thereof

ECHA chemical group parent

other 25 7
4-Nonylphenol, branched and linear, ethoxylated - ECHA complete 02/27/23

substances with a linear and/or branched alkyl chain with a carbon number of 9 covalently bound in position 4 to phenol, ethoxylated covering UVCB- and well-defined substances, polymers and homologues, which include any of the individual isomers and/or combinations thereof

ECHA chemical group parent

229 49
5-sec-butyl-2-(2,4-dimethylcyclohex-3-en-1-yl)-5-methyl-1,3-dioxane [1], 5-sec-butyl-2-(4,6-dimethylcyclohex-3-en-1-yl)-5-methyl-1,3-dioxane [2] complete 02/27/23

full chemical name: 5-sec-butyl-2-(2,4-dimethylcyclohex-3-en-1-yl)-5-methyl-1,3-dioxane [1], 5-sec-butyl-2-(4,6-dimethylcyclohex-3-en-1-yl)-5-methyl-1,3-dioxane [2]

ECHA chemical group parent

16 10
ACRYLATES complete 08/14/19

This compound group is defined by the SMILES/SMARTS string 'OC(=O)[CD2]=[CD1]' and limited to compounds with a molecular weight < 200 Da. The molecular weight cutoff is arbitrary, but is intended to capture the bulk of the compounds with potential to be used commercially / as monomers without including an overwhelming number of compounds. The group excludes acrylates without terminal alkene group like polymers, so chemical names contains polymer keywords are excluded. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system.

structure 401 3
Additive Phosphorous Flame Retardants - Apple RSL complete

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

fixed list 67 0
Adhesive monomers Group I - Apple RSL complete

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

fixed list 17 2
Adhesive monomers Group II - Apple RSL complete fixed list 21 2
Aflatoxins complete 03/08/18

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

6 5
Alkylphenols and related compounds complete 07/28/17

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

other 587 5
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 4
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 26
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 26
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
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 54
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 43
ARSENIC, INORGANIC OXIDES complete 08/09/18 This compound group has not yet been assigned a structural definition. other 8 55
Asbestos Fibers complete 06/04/18

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

other 12 15
Azo Dyes, Arylamines, and Anilines - Apple RSS complete

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

fixed list 24 1
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 3
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 8
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 2
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 3
Bisphenol Chemicals - Apple RSL complete

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

fixed list 18 1
Bisphenols - OEKO-TEX complete 09/05/25 fixed list 18 0
Brominated Organic Solvents - Apple RSL complete

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

fixed list 7 10
C9-C14 PFCAs and related substances - OEKO-TEX complete fixed list 13 0
Carcinogenic arylamines - OEKO-TEX complete fixed list 32 0
Carcinogenic arylamines under observation - OEKO-TEX complete fixed list 3 0
Cerium Compounds complete 07/31/18

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

element 349 1
Chlorinated Organic Solvents - Apple RSS complete

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

fixed list 20 11
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 20 1
Chlorinated paraffins - OEKO-TEX complete fixed list 4 0
Chlorinated Paraffins (SCCP and MCCP) - Apple RSS complete

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

fixed list 5 0
Chlorinated phenols - OEKO-TEX complete fixed list 23 0
Chlorinated solvents - OEKO-TEX complete fixed list 16 0