COMPOUND GROUP NAME | POPULATION STATUS | DATE POPULATED | DESCRIPTION | PROFILE TYPE | # MEMBERS | # HAZARDS |
---|---|---|---|---|---|---|
Perfluoroalkyl carbonyl compounds | incomplete | This group was populated from the OECD's Comprehensive Global Database of Per- and Polyfluoroalkyl Substances (PFASs) at http://www.oecd.org/chemicalsafety/portal-perfluorinated-chemicals/. |
515 | 12 | ||
Perfluoroalkyl phosphate compounds | incomplete | This compound group has not yet been assigned a structural definition. |
23 | 12 | ||
Perfluorobutane sulfonic acid (PFBS) and its salts | incomplete | This compound group has not yet been formally defined. |
structure | 12 | 10 | |
Perfluorobutanoic acid and its salts and precursors | incomplete | This compound group has not yet been assigned a structural definition. |
other | 0 | 0 | |
PERFLUOROCARBONS, SHORT-CHAIN | incomplete | This compound group has not yet been assigned a structural definition. | other | 6 | 13 | |
Perfluorocarboxylic Acids (PFCAs), Long-Chain (C9-C20), their Salts, and their Precursors | incomplete | This compound group has not yet been assigned a structural definition. |
other | 0 | 5 | |
Perfluorohexane sulfonic acid (PFHxS), its salts and PFHxS-related compounds | incomplete | This compound group has not yet been assigned a structural definition. |
other | 38 | 15 | |
Perfluorooctane sulfonamides | incomplete | This compound group has not yet been assigned a structural definition. |
other | 5 | 1 | |
Perfluorooctane sulfonates (PFOS) | complete | This compound group is defined by the SMILES/SMARTS string "C(C(C(C(C(F)(F)S(=O)(=O)O)(F)F)(F)F)(F)F)(C(C(C(F)(F)F)(F)F)(F)F)(F)F" 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 | 41 | 32 | |
Perfluorooctane sulfonates C8F17SO2X (X = OH, Metal salt, halide, amide, and other derivatives including polymers) (PFOS), all members | incomplete | This compound group was populated from the 2016 GADSL list at http://www.gadsl.org/ |
other | 19 | 12 | |
Perfluorooctane sulfonyls | incomplete | Compounds that contain one of the following groups: C8F17SO2-, C8F17SO3- or C8F17SO2N-. |
structure | 1 | 18 | |
PERFLUOROOCTANOATE (PFOA, C-8) SALTS | incomplete | Salts of perfluorooctanoic acid (PFOA). |
structure | 2 | 24 | |
Perfluorooctanoic Acid (PFOA) Salts, and Its Precursors | incomplete | This compound group has not yet been assigned a structural definition. | other | 3 | 10 | |
perfluorooctanoic acid (PFOA), its salts and PFOA-related substances | incomplete | other | 79 | 9 | ||
Perfluorooctanoic acid inorganic salts | incomplete | This compound group is defined by the SMILES string 'C(=O)(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. |
other | 0 | 2 | |
Perfluorooctyl silanes | incomplete | This compound group has not yet been assigned a structural definition. |
other | 0 | 0 | |
Persulfate salts | incomplete | This compound group is defined by the SMILES string '[O-]S(=O)(=O)OOS(=O)(=O)[O-]'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. Persulfate salts populated per SIDS Initial Assessment Report For SIAM 20 http://www.chem.unep.ch/irptc/sids/oecdsids/Persulfates.pdf |
other | 4 | 3 | |
Petrolatum (petroleum), treated and untreated | incomplete | This compound group has not yet been assigned a structural definition. | other | 34 | 0 | |
Petroleum distillates | incomplete | This compound group has not yet been assigned a structural definition. | other | 118 | 2 | |
Petroleum products | incomplete | This compound group has not yet been assigned a structural definition. | other | 7 | 2 | |
Petroleum, Crude oil | incomplete | This compound group has not yet been assigned a structural definition. | other | 2 | 1 | |
PFAS - OECD Comprehensive Global Database of PFASs (2018) | complete | 4747 | 13 | |||
PFNA, Perfluorononan-1-oic-acid and its salts | incomplete | This compound group has not yet been assigned a structural definition. |
other | 3 | 4 | |
Phenmetrazine, its derivatives and salts | incomplete | This compound group has not yet been assigned a structural definition. | structure | 1 | 1 | |
Phenothiazine and its compounds | incomplete | This compound group has not yet been assigned a structural definition. | structure | 1 | 1 | |
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 | 37 | |
Phenylenediamine compounds | incomplete | This compound group was populated from the 2016 GADSL list at http://www.gadsl.org/ |
other | 16 | 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 | 4 | 6 | |
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 | 15 | |
Phthalates - Apple RSS | complete | This compound group is populated from Apple's Regulated Substances Specification |
fixed list | 51 | 1 | |
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 | 639 | 12 | |
Pipazetate and its salts | incomplete | This compound group has not yet been assigned a structural definition. | structure | 1 | 1 | |
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 | 3534 | 0 | |
Pipradrol and its salts | incomplete | This compound group has not yet been assigned a structural definition. | structure | 1 | 1 | |
Piproctanyl salts | incomplete | This compound group has not yet been assigned a structural definition. |
other | 0 | 3 | |
polyacrylamides | incomplete | 4 | 0 | |||
POLYBROMINATED BIPHENYLS (PBBs) | complete | This compound group was populated from the 2016 GADSL list at http://www.gadsl.org/ |
other | 56 | 45 | |
Polybrominated dibenzodioxins | incomplete | This compound group has not yet been assigned a structural definition. |
other | 0 | 1 | |
Polybrominated dibenzofurans | incomplete | This compound group has not yet been assigned a structural definition. | other | 0 | 2 | |
POLYBROMINATED DIPHENYL ETHERS (PBDE) | incomplete | This compound group has not yet been assigned a structural definition. | other | 42 | 35 | |
Polybrominated Diphenyl Ethers (PBDEs) - Apple RSL | complete | This compound group is populated from Apple's Regulated Substances Specification |
fixed list | 23 | 1 | |
Polybrominated terphenyls (PBT) | incomplete | This compound group was populated from the 2016 GADSL list at http://www.gadsl.org/ |
other | 7 | 1 | |
POLYCHLORINATED ALKANES | incomplete | This compound group has not yet been assigned a structural definition. | other | 68 | 12 | |
POLYCHLORINATED BIPHENYLS (PCBs) | incomplete | This compound group has not yet been assigned a structural definition. |
other | 240 | 36 | |
POLYCHLORINATED DIBENZO-P-DIOXINS (PCDD) | incomplete | This compound group has not yet been assigned a structural definition. | other | 8 | 27 | |
POLYCHLORINATED DIBENZOFURANS (PCDF) | incomplete | This compound group has not yet been assigned a structural definition. | other | 10 | 20 | |
POLYCHLORINATED NAPHTHALENES (PCN) | incomplete | This compound group has not yet been assigned a structural definition. |
other | 20 | 19 | |
Polychlorinated terphenyls (PCTs) | incomplete | This compound group has not yet been assigned a structural definition. | other | 1 | 5 | |
POLYCYCLIC AROMATIC COMPOUNDS - Compound Group | incomplete | This compound group has not yet been assigned a structural definition. | other | 102 | 6 | |
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 | 6 | |
POLYCYCLIC AROMATIC HYDROCARBONS (PAH) (US NIH RoC) | incomplete | This compound group has not yet been assigned a structural definition. |
19 | 0 | ||
POLYCYCLIC AROMATIC HYDROCARBONS (PAHs) | complete | This list is drawn from:
|
other | 95 | 19 | |
Polycyclic Aromatic Hydrocarbons (PAHs) - Apple RSL | complete | This compound group is populated from Apple's Regulated Substances Specification |
fixed list | 38 | 1 | |
Polycyclic synthetic musks - Biomonitoring CA | incomplete | This group is populated from the list at https://biomonitoring.ca.gov/chemicals |
fixed list | 0 | 1 | |
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 | 7 | |
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 | 12 | ||
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 | 12 | ||
Potassium Titanates | incomplete | This compound group has not yet been assigned a structural definition. | other | 5 | 1 | |
Procainamide, its salts and derivatives | incomplete | This compound group has not yet been assigned a structural definition. | structure | 1 | 1 | |
Propanedinitrile, (and related derivatives) | incomplete | This compound group has not yet been assigned a structural definition. | other | 141 | 0 | |
Propanenitrile, (and related derivatives) | incomplete | This compound group has not yet been assigned a structural definition. | other | 322 | 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 | |
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 | 5 | ||
PVC related polymers | incomplete | This compound group has not yet been assigned a structural definition. | other | 134 | 2 | |
Pyrethrins | incomplete | This compound group has not yet been assigned a structural definition. | other | 9 | 2 | |
pyrethrins including cinerins | incomplete | This compound group has not yet been assigned a structural definition. |
other | 4 | 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 | 6 | ||
Pyrethroid pesticides - Biomonitoring CA | incomplete | This group is populated from the list at https://biomonitoring.ca.gov/chemicals |
fixed list | 0 | 1 | |
Pyrethroids | incomplete | This compound group has not yet been assigned a structural definition. | other | 32 | 3 | |
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 | |
Radioactive Elements | 11 | 0 | ||||
Radioiodines, including iodine-131 | incomplete | This compound group has not yet been assigned a structural definition. |
0 | 6 | ||
Radionuclides | incomplete | This group has not been assigned a structural definition yet. |
3 | 5 | ||
Radionuclides, alpha-particle-emitting, internally deposited | incomplete | This compound group has not yet been assigned a structural definition. |
0 | 6 | ||
Radionuclides, beta-particle-emitting, internally deposited | incomplete | This compound group has not yet been assigned a structural definition. |
0 | 6 | ||
Raffinates (petroleum), and various treated and processed fractions | incomplete | This compound group has not yet been assigned a structural definition. | other | 10 | 0 | |
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 | 13 | |
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 | 11 | ||
Residual (heavy) fuel oils | incomplete | This group has not been assigned a structural definition yet. |
0 | 4 | ||
Residual oils (petroleum), treated | incomplete | This compound group has not yet been assigned a structural definition. | other | 12 | 0 | |
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 | 58 | 0 | |
Resin acids and Rosin acids, salts and hydrogenated esters | incomplete | This compound group has not yet been assigned a structural definition. | other | 4 | 0 | |
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 | 4 | ||
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 | 12 | |
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 | 5 | |
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 | complete | 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]'. 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 | 9 | 11 | |
Salts of 3,3'-dimethoxybenzidine | complete | This compound group is defined by a substructure search of PubChem the SMILES/SMARTS string "[CH1]1=[CH1]C(=C([CH1]=C1C2=[CH1]C(=C([CH1]=[CH1]2)[ND1])O[CH3])O[CH3])[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 | 5 | 8 | |
Salts of 4-aminobiphenyl | complete | 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]'. 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 | 6 | 11 |