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
Petrolatum (petroleum), treated and untreated incomplete This compound group has not yet been assigned a structural definition. other 47 1
Petroleum distillates incomplete This compound group has not yet been assigned a structural definition. other 123 1
Petroleum products incomplete This compound group has not yet been assigned a structural definition. other 7 1
Petroleum, Crude oil incomplete This compound group has not yet been assigned a structural definition. other 3 2
PFNA, Perfluorononan-1-oic-acid and its salts incomplete

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

other 3 0
PFNA, Perfluorononan-1-oic-acid and its sodium and ammonium salts incomplete

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

other 0 0
Phenyl arsenic compounds in progress

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

structure 0 30
Phenylenediamine compounds incomplete

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

other 25 0
PHENYLHYDRAZINE SALTS in progress

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

other 5 4
Phenyltin compounds in progress This compound group is defined by the SMILES string 'C1=CC=C(C=C1)[Sn]'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. structure 234 9
PHTHALATES (orthophthalates) complete

This compound group is defined by a substructure search of PubChem using the SMILES string 'COC(=O)c1[cH][cH][cH][cH]c1C(=O)OC'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system.

structure 713 10
Piperazine salts incomplete

This compound group is defined by the SMILES string 'C1CNCCN1'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system.

other 3591 1
Piproctanyl salts incomplete

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

other 0 3
polyacrylamides incomplete 38 0
POLYBROMINATED BIPHENYLS (PBBs) complete

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

other 56 28
Polybrominated dibenzodioxins incomplete

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

other 0 2
Polybrominated dibenzofurans incomplete This compound group has not yet been assigned a structural definition. other 0 3
POLYBROMINATED DIPHENYL ETHERS (PBDE) incomplete This compound group has not yet been assigned a structural definition. other 42 21
Polybrominated terphenyls (PBT) incomplete

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

other 7 0
POLYCHLORINATED ALKANES incomplete This compound group has not yet been assigned a structural definition. other 0 4
POLYCHLORINATED BIPHENYLS (PCBs) incomplete

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

other 240 29
POLYCHLORINATED DIBENZO-P-DIOXINS (PCDD) incomplete This compound group has not yet been assigned a structural definition. other 9 21
POLYCHLORINATED DIBENZOFURANS (PCDF) incomplete This compound group has not yet been assigned a structural definition. other 10 9
POLYCHLORINATED NAPHTHALENES (PCN) incomplete

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

other 22 10
Polychlorinated terphenyls (PCTs) incomplete This compound group has not yet been assigned a structural definition. other 1 3
POLYCYCLIC AROMATIC COMPOUNDS - Compound Group incomplete This compound group has not yet been assigned a structural definition. other 103 3
POLYCYCLIC AROMATIC COMPOUNDS (OSHA EXCLUSIONS) complete This compound group is defined by a list in the US EPA's Toxics Release Inventory (TRI) Basis of OSHA Carcinogens document, available at https://www.epa.gov/toxics-release-inventory-tri-program/tri-basis-osha-carcinogens. fixed list 24 4
POLYCYCLIC AROMATIC HYDROCARBONS (PAH) complete

This list is drawn from:

other 97 12
POLYCYCLIC AROMATIC HYDROCARBONS (PAH) (US NIH RoC) incomplete

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

19 1
Polycyclic synthetic musks - Biomonitoring CA incomplete

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

fixed list 0 0
polyethlyenepolyamines incomplete

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

structure 1 0
polyethlyenepolyamines 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 6
Polyhalogenated alicycles (NAS OFR subclass) complete

This compound group is populated from 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

20 5
Polyhalogenated aliphatic carboxylate (NAS OFR subclass) complete

This compound group is populated from 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

6 5
Potassium Titanates incomplete This compound group has not yet been assigned a structural definition. other 11 1
Propanedinitrile, (and related derivatives) incomplete This compound group has not yet been assigned a structural definition. other 166 1
Propanenitrile, (and related derivatives) incomplete This compound group has not yet been assigned a structural definition. other 365 1
PROPYLENE GLYCOL & GLYCOL ETHERS (PGES) incomplete

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

other 60 0
proteases incomplete

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

functional use 2 0
proteases 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.

1 4
PVC related polymers incomplete This compound group has not yet been assigned a structural definition. other 219 1
Pyrethrins incomplete This compound group has not yet been assigned a structural definition. other 12 1
pyrethrins including cinerins incomplete

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

other 6 0
pyrethrins including cinerins, 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.

1 5
Pyrethroid pesticides - Biomonitoring CA incomplete

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

fixed list 0 0
Pyrethroids incomplete This compound group has not yet been assigned a structural definition. other 51 1
Pyrolysis products of organic materials with high levels of PAHs incomplete

This list is populated from the 2018 MAK document, where listings for specific chemicals were not available:

"Many of the PAH which occur regularly in pyrolysis products are carcinogenic in animal studies. They are present at particularly high levels in brown coal tars (soft coal tars), coal tars (black coal tars), coal tar pitches, coal tar oils, coke oven emissions."

other 17 0
Radioiodines, including iodine-131 incomplete

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

0 2
Radionuclides incomplete

This group has not been assigned a structural definition yet.

3 1
Radionuclides, alpha-particle-emitting, internally deposited incomplete

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

0 2
Radionuclides, beta-particle-emitting, internally deposited incomplete

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

0 2
Raffinates (petroleum), and various treated and processed fractions incomplete This compound group has not yet been assigned a structural definition. other 10 1
Refractory Ceramic Fibers (with alkaline oxide and alkali earth oxide content less or equal to 18 % by weight) incomplete This compound group has not yet been assigned a structural definition. other 5 8
Refractory Ceramic Fibres with the exception of those specified elsewhere in Annex VI of Regulation (EC) No 1272/2008, [with alkaline oxide and alkali earth oxide content less or equal to 18 % by weight] incomplete

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

other 3 10
Refractory Ceramic Fibres, Special Purpose Fibres, with the exception of those specified elsewhere in Annex XVII of Regulation (EC) No 1907/2006, [with alkaline oxide and alkali earth oxide content less or equal to 18 % by weight] incomplete

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

3 9
Residual (heavy) fuel oils incomplete

This group has not been assigned a structural definition yet.

0 2
Residual oils (petroleum), treated incomplete This compound group has not yet been assigned a structural definition. other 12 1
Residues (coal tar) incomplete This compound group has not yet been assigned a structural definition. other 3 1
Residues (petroleum) and similar products incomplete This compound group has not yet been assigned a structural definition. other 59 1
Resin acids and Rosin acids, salts and hydrogenated esters incomplete This compound group has not yet been assigned a structural definition. other 17 1
retinol/retinyl esters, when in daily dosages in excess of 10,000 iu, or 3,000 retinol equivalents incomplete

This group has not been assigned a structural definition yet.

0 1
Rhodium compounds, inorganic in progress This compound group is defined by the SMILES string '[Rh]' 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 1
Salinomycin, salts incomplete

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

other 0 1
salts and esters of dinex incomplete

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

other 0 5
salts and esters of dinosam incomplete

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

other 0 5
salts and esters of dinoseb, 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 10
Salts and esters of dinoseb, 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 2 4
salts and esters of MCPA incomplete

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

other 0 5
salts and esters of MCPB incomplete

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

other 0 1
salts of 2,4-D incomplete

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

structure 3 4
salts of 2,4-DB incomplete

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

structure 1 3
Salts of 3,3'-dichlorobenzidine incomplete

This compound group is defined by the SMILES string '[CH1]1=[CH1]C(=C([CH1]=C1C2=[CH1]C(=C([CH1]=[CH1]2)[ND1])[ClD1])[ClD1])[ND1]'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system.

structure 3 10
Salts of 3,3'-dimethoxybenzidine incomplete

This compound group is defined by the SMARTS string '[CH1]1=[CH1]C(=C([CH1]=C1C2=[CH1]C(=C([CH1]=[CH1]2)[ND1])O[CH3])O[CH3])[ND1]'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system.

structure 0 7
Salts of 4-aminobiphenyl incomplete

This compound group is defined by the SMILES string '[CH1]1=[CH1][CH1]=C([CH1]=[CH1]1)C2=[CH1][CH1]=C([CH1]=[CH1]2)[ND1]'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system.

structure 2 8
salts of 4,4'-bi-o-toluidine, salts of 3,3'-dimethylbenzidine, salts of o-tolidine incomplete

This compound group is defined by the SMILES string '[CH3]C1=C([CH1]=[CH1]C(=[CH1]1)C2=[CH1]C(=C([CH1]=[CH1]2)[ND1])[CH3])[ND1]'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system.

structure 3 4
salts of 4,4'-carbonimidoylbis[N,N-dimethylaniline] complete

The IARC monograph Auramine and Auramine Production in volume 99 lists the following commercially relevant salts: sulfate, nitrate, nitrite, acetates, propionates, bromides, iodides, salts of alkyl-, aralkyl-, or arylsulfonic acids, thiocyanates, and phosphates. CASRN were found for sulfate, nitrate and acetate.

https://monographs.iarc.fr/wp-content/uploads/2018/06/mono99-9.pdf

other 6 5
Salts of 4,4'-methylenebis(2-chloroaniline) incomplete

This compound group is defined by the SMILES string '[CH1]1=[CH1]C(=C([CH1]=C1[CH2]C2=[CH1]C(=C([CH1]=[CH1]2)[ND1])[ClD1])[ClD1])[ND1]'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system.

structure 0 8
Salts of 4,4'-oxydianiline incomplete

This compound group is defined by the SMILES string '[CH1]1=[CH1]C(=[CH1][CH1]=C1[OD2]C2=[CH1][CH1]=C([CH1]=[CH1]2)[ND1])[ND1]'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system.

structure 3 4
salts of 4,4'-thiodianiline incomplete

This compound group is defined by the SMILES string '[CH1]1=[CH1]C(=[CH1][CH1]=C1[SD2]C2=[CH1][CH1]=C([CH1]=[CH1]2)[ND1])[ND1]'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system.

other 0 2
salts of aconitine incomplete

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

other 0 2
Salts of aniline in progress

This compound group is defined by the SMILES string '[CH]1=[CH][CH]=C([CH]=[CH]1)[NH2]'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system.

structure 14 14
salts of atropine incomplete

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

other 0 2
salts of bromoxynil 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.

0 9
salts of dichlorprop incomplete

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

other 1 3
salts of ephedrine incomplete

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

structure 0 1
salts of fenoprop, salts of 2-(2,4,5-trichlorophenoxy)propionic acid incomplete

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

structure 0 5
salts of glyphosate incomplete

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

other 1 0
salts of glyphosate, 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.

0 1
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 19 12
salts of hyoscine incomplete

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

other 0 3
salts of hyoscyamine incomplete

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

other 0 2
salts of ioxynil 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.

2 11
salts of mecoprop incomplete

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

structure 0 5
salts of nicotine incomplete

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

structure 0 4
salts of oxalic acid incomplete

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

other 2 0
salts of oxalic acid 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.

1 2
salts of papaverine incomplete

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

structure 0 1
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 0 2