New pricing coming May 2021 Read more

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
Strophantines, their aglucones and derivatives incomplete This compound group has not yet been assigned a structural definition. structure 1 1
Strontium compounds incomplete

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

element 0 2
Strong Inorganic Acid Mists Containing Sulfuric Acid incomplete

This group has not been assigned a structural definition yet.

other 0 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
Sparteine and its salts incomplete This compound group has not yet been assigned a structural definition. structure 1 1
Soots, tars, and mineral oils (untreated and mildly treated oils and used engine oils) incomplete

This group has not been assigned a structural definition yet.

0 3
Solvent naphtha (petroleum), and related processed products incomplete This compound group has not yet been assigned a structural definition. other 15 1
Solvent naphtha (coal), and related compounds incomplete This compound group has not yet been assigned a structural definition. other 7 1
Slack wax (petroleum), treated Slack wax incomplete This compound group has not yet been assigned a structural definition. other 10 1
Silver Compounds 1 1
Silanes incomplete This compound group has not yet been assigned a structural definition. other 27 0
SILANE & SILOXANES GROUP incomplete This compound group has not yet been assigned a structural definition. other 47 0
Short-Chain Chlorinated Paraffins (SCCP) incomplete

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

other 3 9
Sesquiterpene lactones (MAK list) complete

This compound group is populated from the List of Substances with MAK & BAT Values & Categories at http://onlinelibrary.wiley.com/store/10.1002/9783527812127.oth/asset/oth.pdf?v=1&t=jasibday&s=5ca2bde2067c57e83f4b040bd5cd056eda4714b7

fixed list 16 1
Sepiolite compounds incomplete This compound group has not yet been assigned a structural definition. other 3 1
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
selenium compounds with the exception of cadmium sulphoselenide 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.

3173 13
SELENIUM COMPOUNDS complete 08/15/16 This compound group is defined by the SMILES string '[Se]'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. element 3187 8
salts of thiocyanic 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.

0 4
salts of thiocyanic acid incomplete

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

structure 1 0
salts of strychnine incomplete

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

structure 1 10
salts of pilocarpine incomplete

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

other 1 3
salts of picric acid incomplete

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

other 0 4
salts of physostigmine incomplete

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

other 0 2
salts of papaverine incomplete

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

structure 0 1
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 oxalic acid incomplete

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

other 2 0
salts of nicotine incomplete

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

structure 1 6
salts of mecoprop incomplete

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

structure 0 5
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 hyoscyamine incomplete

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

other 1 3
salts of hyoscine incomplete

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

other 1 4
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 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 glyphosate incomplete

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

other 1 0
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 ephedrine incomplete

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

structure 1 2
salts of dichlorprop incomplete

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

other 1 3
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 atropine incomplete

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

other 1 3
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 5 15
salts of aconitine incomplete

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

other 1 3
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 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 1 4
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'-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 4 5
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-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 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 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 2,4-DB incomplete

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

structure 1 3
salts of 2,4-D incomplete

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

structure 3 4
salts and esters of MCPB incomplete

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

other 0 1
salts and esters of MCPA 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 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 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 dinosam incomplete

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

other 0 5
salts and esters of dinex incomplete

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

other 0 5
Salinomycin, salts incomplete

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

other 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
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
Resin acids and Rosin acids, salts and hydrogenated esters incomplete This compound group has not yet been assigned a structural definition. other 4 1
Residues (petroleum) and similar products incomplete This compound group has not yet been assigned a structural definition. other 58 1
Residues (coal tar) incomplete This compound group has not yet been assigned a structural definition. other 3 2
Residual oils (petroleum), treated incomplete This compound group has not yet been assigned a structural definition. other 12 1
Residual (heavy) fuel oils incomplete

This group has not been assigned a structural definition yet.

0 2
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
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 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
Raffinates (petroleum), and various treated and processed fractions incomplete This compound group has not yet been assigned a structural definition. other 10 1
Radionuclides, beta-particle-emitting, internally deposited incomplete

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

0 2
Radionuclides, alpha-particle-emitting, internally deposited 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
Radioiodines, including iodine-131 incomplete

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

0 2
QUINOLINE STRONG ACID SALTS complete 07/09/19

Strong acid salts are listed at https://comptox.epa.gov/dashboard/dsstoxdb/mixture_search?cid=1798

fixed list 6 2
QUATERNARY AMMONIUM COMPOUNDS complete 07/09/19

This compound group was populated from a manual search of the Pharos database. 

other 120 2
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 15 0
Pyrethroids incomplete This compound group has not yet been assigned a structural definition. other 22 1
Pyrethroid pesticides - Biomonitoring CA incomplete

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

fixed list 0 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
pyrethrins including cinerins incomplete

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

other 4 0
Pyrethrins incomplete This compound group has not yet been assigned a structural definition. other 9 1
PVC related polymers incomplete This compound group has not yet been assigned a structural definition. other 52 2
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
proteases incomplete

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

functional use 2 0
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 28 0
Propanenitrile, (and related derivatives) incomplete This compound group has not yet been assigned a structural definition. other 320 1
Propanedinitrile, (and related derivatives) incomplete This compound group has not yet been assigned a structural definition. other 141 1
Procainamide, its salts and derivatives incomplete This compound group has not yet been assigned a structural definition. structure 1 1
Potassium Titanates incomplete This compound group has not yet been assigned a structural definition. other 5 1
POLYISOCYANATE COMPOUNDS complete 07/24/17

This compound group is defined by the SMARTS string ([NX2:2]=[C:1]=[OX1:3].[NX2:2]=[C:1]=[OX1:3]), subtracting any compounds whose name contains "polymer". This SMARTS search unfortunately captures polymers made from isocyanates, because their structures are often represented by individual monomers. For more information on SMARTS, see https://en.wikipedia.org/wiki/Smiles_arbitrary_target_specification.

structure 574 3
Polyhalogenated triazines (NAS OFR subclass) complete 05/21/19

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

fixed list 6 6
Polyhalogenated phthalates/benzoates/imides (NAS OFR subclass) complete 05/21/19

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

fixed list 11 6
Polyhalogenated phenol-aliphatic ethers (NAS OFR subclass) complete 05/21/19

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

fixed list 9 6
Polyhalogenated phenol derivatives (NAS OFR subclass) complete 05/21/19

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

fixed list 7 6
Polyhalogenated organophosphates (NAS OFR subclass) complete 05/21/19

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

fixed list 22 6
Polyhalogenated diphenyl ethers (NAS OFR subclass) complete 05/21/19

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

fixed list 13 6
Polyhalogenated carbocycles (NAS OFR subclass) complete 05/21/19

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

fixed list 15 6
Polyhalogenated bisphenol aliphatics and functionalized (NAS OFR subclass) complete 05/21/19

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

fixed list 12 6
Polyhalogenated benzenes (NAS OFR subclass) complete 05/21/19

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

fixed list 19 6