COMPOUND GROUP NAME | POPULATION STATUS | DATE POPULATED | DESCRIPTION | PROFILE TYPE | # MEMBERS | # HAZARDS |
---|---|---|---|---|---|---|
Crimidine, salts | incomplete | This compound group has not yet been assigned a structural definition. |
other | 0 | 1 | |
CRYSTALLINE SILICAS - RESPIRABLE | incomplete | The various forms of crystalline silica are: α-quartz, β-quartz, α-tridymite, β-tridymite, α-cristobalite, β-cristobalite, keatite, coesite, stishovite, and moganite. NIOSH (2002)....Keatite, coesite, stishovite, and moganite are rarely found in nature. The most commonly occurring polymorphs are quartz, cristobalite and tridymite, which are found in rocks and soil. NIOSH Hazard Review: Health Effects of Occupational Exposure to Respirable Crystalline Silica (DHHS (NIOSH) Publication No. 2002–129). Cincinnati, OH, 145 pp. |
other | 9 | 8 | |
CYANIDE COMPOUNDS | complete | This compound group includes both commercially relevant compounds such as Hydrogen Cyanide, Sodium Cyanide, Potassium Cyanide, and Calcium Cyanide, as well as cyanide salts that are less common. |
structure | 39 | 8 | |
Cyclic, branched or linear completely fluorinated alkanes | incomplete | This group hasn't been assigned a structural definition yet. |
0 | 14 | ||
Cyclic, branched or linear completely fluorinated tertiary amines with no unsaturations | incomplete | This group hasn't been assigned a structural definition yet. |
0 | 14 | ||
Cyclic, branched, or linear completely fluorinated ethers with no unsaturations | incomplete | This group hasn't been assigned a structural definition yet. |
0 | 14 | ||
Cyclizine and its salts | incomplete | This compound group has not yet been assigned a structural definition. | structure | 1 | 1 | |
Cyclocyloxanes - Biomonitoring CA | complete | This group is populated from the list at https://biomonitoring.ca.gov/chemicals |
fixed list | 4 | 1 | |
Cyclohexane-1,2-dicarboxylic anhydrides | incomplete | This compound group is defined by the SMILES string 'C1CCC2C(C1)C(=O)OC2=O'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. ECHA chemical group parent: all possible combinations of the cis- and trans-isomers |
other | 3 | 4 | |
Cyclomenol and its salts | incomplete | This compound group has not yet been assigned a structural definition. | structure | 1 | 1 | |
Cyclophosphamide and its salts | incomplete | This compound group has not yet been assigned a structural definition. | structure | 1 | 1 | |
Decamethonium bromide | incomplete | This compound group has not yet been assigned a structural definition. | structure | 1 | 1 | |
Dextromethorphan and its salts | incomplete | This compound group has not yet been assigned a structural definition. | structure | 1 | 1 | |
Di-isodecyl phthalate and metabolite | complete | This compound group has not yet been assigned a structural definition. | other | 7 | 0 | |
Di-n-Octyl Phthalate and metabolites | complete | This compound group has not yet been assigned a structural definition. | other | 2 | 0 | |
Diazonium salts | incomplete | This compound group is defined by the SMILES string 'C=[N+]=[N-]'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. |
other | 603 | 2 | |
Dibenzanthracenes | incomplete | This group has not been assigned a structural definition yet. |
0 | 4 | ||
DIBENZOFURAN COMPOUNDS | in progress | This compound group is defined by the SMILES string 'C1=CC=C2C(=C1)C3=CC=CC=C3O2'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. | other | 19 | 0 | |
Dibutyl phthalate and metabolites | complete | This compound group has not yet been assigned a structural definition. | other | 2 | 0 | |
Dibutyltin compounds | in progress | This compound group is defined by the SMILES string 'CCCC[Sn]CCCC.CCCC[Sn]CCCC'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. |
structure | 83 | 21 | |
Dichlorobenzenes | complete | This compound group has not yet been assigned a structural definition. | other | 5 | 6 | |
Dichloroethylenes | complete | This compound group has not yet been assigned a structural definition. | other | 6 | 0 | |
dichloropropanes | complete | This compound group has not yet been assigned a structural definition. | other | 17 | 0 | |
Dicresyl phosphates - Biomonitoring CA | incomplete | This group is populated from the list at https://biomonitoring.ca.gov/chemicals |
fixed list | 0 | 1 | |
Dicyclohexyl phthalate and metabolite | complete | This compound group has not yet been assigned a structural definition. | other | 3 | 0 | |
Diethyl hexyl phthalate and metabolites | complete | This compound group has not yet been assigned a structural definition. | other | 12 | 0 | |
Diethyl phthalate and metabolite | incomplete | This compound group has not yet been assigned a structural definition. | other | 2 | 0 | |
Diglycidyl ethers of p,p´-bisphenols - Biomonitoring CA | incomplete | This group is populated from the list at https://biomonitoring.ca.gov/chemicals |
fixed list | 0 | 2 | |
Diisobutyl phthalate and metabolite | incomplete | This compound group has not yet been assigned a structural definition. | other | 1 | 0 | |
Diisononyl phthalate (DINP) compounds | incomplete | This compound group has not yet been assigned a structural definition. |
other | 9 | 16 | |
Dimethyl phthalate and metabolite | incomplete | This compound group has not yet been assigned a structural definition. | other | 4 | 0 | |
Dimethylarsenic acids | complete | This compound group is defined by the SMILES string '[CH3][As](=O)([CH3])O'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. |
structure | 18 | 39 | |
Dimethylphenols | incomplete | This compound group has not yet been assigned a structural definition. | other | 0 | 0 | |
Dimevamide and its salts | incomplete | This compound group has not yet been assigned a structural definition. | structure | 1 | 1 | |
Dinitro-ortho-cresol (DNOC) salts | incomplete | This compound group is defined by the SMILES string 'CC1=C(C=C(C=C1O)[N+](=O)[O-])[N+](=O)[O-]'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. | 3 | 1 | ||
Dinitro-ortho-cresol (DNOC), salts | in progress | This compound group is defined by the SMILES string '[CH3]C1=[CH]C(=[CH]C(=C1[OH])[N+](=O)[O-])[N+](=O)[O-]'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. |
other | 0 | 10 | |
Dinitrobenzene isomers | incomplete | This compound group has not yet been assigned a structural definition. | other | 8 | 1 | |
Dinitronaphthalene isomers | incomplete | This compound group has not yet been assigned a structural definition. | other | 0 | 1 | |
Dinitrophenols | incomplete | This compound group has not yet been assigned a structural definition. | other | 9 | 1 | |
Dinitrotoluenes | incomplete | This compound group has not yet been assigned a structural definition. | other | 15 | 1 | |
Dinoseb salts and esters | incomplete | This compound group is defined by the SMILES string 'CCC(C)C1=CC(=CC(=C1O)[N+](=O)[O-])[N+](=O)[O-]'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. |
structure | 10 | 1 | |
Dinoterb salts and esters | complete | This compound group is defined by a substructure search of PubChem the SMILES/SMARTS string "[CH3]C([CH3])([CH3])C1=[CH1]C(=[CH1]C(=C1[OD1])[N+](=O)[O-])[N+](=O)[O-] plus [CH3]C([CH3])([CH3])C1=[CH1]C(=[CH1]C(=C1OC(=O)C)[N+](=O)[O-])[N+](=O)[O-]". The setting "Remove any explicit hydrogens before searching" was deselected from each substructure search. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. |
structure | 7 | 9 | |
Dioctyltin compounds | in progress | This compound group is defined by the SMILES string 'CCCCCCCC[Sn]CCCCCCCC'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. |
structure | 12 | 21 | |
Dioxethedrin and its salts | incomplete | This compound group has not yet been assigned a structural definition. | structure | 1 | 1 | |
DIOXINS & DIOXIN-LIKE COMPOUNDS | incomplete | This compound group has not yet been assigned a structural definition. |
other | 22 | 13 | |
Diphenhydramine and its salts | incomplete | This compound group has not yet been assigned a structural definition. | structure | 1 | 1 | |
Diphenylpyraline and its salts | incomplete | This compound group has not yet been assigned a structural definition. | structure | 1 | 1 | |
Dithiocarbamates | incomplete | This compound group is defined by the SMARTS string 'C(=[SD1])([ND1])[SD1]'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. |
other | 0 | 1 | |
Dodecyl phenols | incomplete | Populated from Swedish EPA http://webapps.kemi.se/flodesanalyser/ |
other | 8 | 4 | |
Doxylamine and its salts | incomplete | This compound group has not yet been assigned a structural definition. | structure | 1 | 1 | |
Emetine, its salts and derivatives | incomplete | This compound group has not yet been assigned a structural definition. | structure | 1 | 1 | |
Endocrine Disruptors - Apple RSL | complete | This compound group is populated from Apple's Regulated Substances Specification |
fixed list | 13 | 1 | |
Endosulfan Isomers | complete | This compound group was populated from the Stockholm POPs Convention decision http://chm.pops.int/TheConvention/ThePOPs/TheNewPOPs/tabid/2511/Default.aspx | fixed list | 2 | 3 | |
Erionite | incomplete | This compound group has not yet been assigned a structural definition. | other | 3 | 0 | |
Eserine and its salts | incomplete | This compound group has not yet been assigned a structural definition. | structure | 1 | 1 | |
esters of 2,4-D | incomplete | This compound group has not yet been assigned a structural definition. |
other | 0 | 5 | |
esters of mecoprop and of mecoprop-P | incomplete | This compound group has not yet been assigned a structural definition. |
other | 0 | 5 | |
Estrogens, steroidal | incomplete | This group has not been assigned a structural definition yet. |
0 | 4 | ||
Ethanol, 2,2'-iminobis-, reaction products with epichlorohydrin and 2-nitro-1,4-benzenediamine (HC Blue No. 5) and its salts | incomplete | This compound group has not yet been assigned a structural definition. | structure | 2 | 1 | |
Ethoheptazine and its salts | incomplete | This compound group has not yet been assigned a structural definition. | structure | 1 | 1 | |
Ethylene amines | incomplete | This compound group is defined by the SMILES string 'C(CN)N'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. |
other | 12 | 1 | |
ETHYLENEBISDITHIOCARBAMIC ACID, SALTS AND ESTERS | 7 | 1 | ||||
ethylenediammonium O,O-bis(octyl) phosphorodithioate, mixed isomers | incomplete | This compound group has not yet been assigned a structural definition. |
other | 0 | 4 | |
Extract oils (coal), coal-tar residual pyrolysis oils, and other distillate fractions, residues | incomplete | This compound group has not yet been assigned a structural definition. | other | 10 | 0 | |
Extract residues (coal), and other fractions and distillation residues | incomplete | This compound group has not yet been assigned a structural definition. | other | 15 | 0 | |
Extracts (petroleum) and realted distillates and unspecified fractions | incomplete | This compound group has not yet been assigned a structural definition. | other | 26 | 0 | |
Fatty acid dialkylamides and dialkanolamides | 2 | 0 | ||||
Fatty alcohols, saturated, with even-numbered C-chain, number of C-atoms >=16, with terminating OH-group | complete | 39 | 0 | |||
Flame Retardants | incomplete | This compound group is populated by its subgroups and literature searches for flame retardants. Please contact support@pharosproject.net with any suggestions or additions. |
functional use | 1860 | 1 | |
Flame Retardants, non-halogenated, non-organophosphorous | incomplete | This group includes minerals, amines, and inorganic phosphates |
functional use | 82 | 5 | |
Fluoride compounds, Inorganic | in progress | This compound group is defined by the SMILES string '[F]' 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 | 46 | 2 | |
Fluorides | incomplete | This compound group has not yet been assigned a structural definition. | other | 2 | 0 | |
Fluorinated Organic Compounds | incomplete | This compound group is defined by the SMILES string 'C[F]'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. | structure | 11690 | 3 | |
fluoroacetates, soluble | incomplete | This compound group has not yet been assigned a structural definition. |
other | 0 | 2 | |
Fluoroaceticacid, salts | incomplete | This compound group has not yet been assigned a structural definition. |
other | 0 | 2 | |
Fluoropolymers | 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/. |
269 | 12 | ||
fluorosilicates | incomplete | This compound group has not yet been assigned a structural definition. |
other | 2 | 0 | |
fluorosilicates, 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 | 1 | ||
Fluorotelomer-related 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/. |
1874 | 12 | ||
Foots oil (petroleum) and other treated and untreated Foots oil | incomplete | This compound group has not yet been assigned a structural definition. | other | 6 | 0 | |
Formaldehyde based binders | incomplete | This compound group has not yet been assigned a structural definition. | functional use | 398 | 3 | |
Formaldehyde compounds, Urea formaldehyde based | incomplete | This compound group was populated with chemicals in Pharos with both "urea" and "formaldehyde" in the name. |
other | 164 | 5 | |
Fuel gases | incomplete | This compound group has not yet been assigned a structural definition. | other | 15 | 1 | |
Fuel oils, high-sulfur, Heavy Fuel oil, (and other residual oils) | incomplete | This compound group has not yet been assigned a structural definition. | other | 6 | 0 | |
FURANS | incomplete | This compound group is defined by the SMILES string 'C1=COC=C1'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. |
other | 0 | 1 | |
Gas oils (oil sand) (and hydrotreated) | incomplete | This compound group has not yet been assigned a structural definition. | other | 2 | 0 | |
Gas oils (petroleum), treated fractions | incomplete | This compound group has not yet been assigned a structural definition. | other | 15 | 0 | |
Gases (petroleum), refined, and recovered Refinery gasses | incomplete | This compound group has not yet been assigned a structural definition. | other | 88 | 0 | |
Gasoline (automotive, refined, processed, recovered, and other unspecified fractions) | incomplete | This compound group has not yet been assigned a structural definition. | other | 8 | 0 | |
Glutethimide and its salts | incomplete | This compound group has not yet been assigned a structural definition. | structure | 1 | 1 | |
Glycidyl ethers | incomplete | This compound group has not yet been assigned a structural definition. The SMILES string "COCC1CO1" captures all glycidyl ethers but is not specific enough as the only filter. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. |
other | 2 | 2 | |
GLYCOL ETHERS | incomplete | This compound group has not yet been assigned a structural definition. | other | 3479 | 4 | |
Glycol ethers acetate | incomplete | This compound group has not yet been assigned a structural definition. | other | 2 | 0 | |
Glymes | incomplete | This compound group is defined by the SMILES string 'COCCOC'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. |
other | 6 | 0 | |
Gold compounds, inorganic | in progress | This compound group is defined by the SMILES string '[Au]' 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 | |
Guanethidine and its salts | incomplete | This compound group has not yet been assigned a structural definition. | structure | 1 | 1 | |
Hafnium compounds | in progress | This compound group is defined by the SMILES string '[Hf]'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. | element | 1 | 0 | |
Halogenated diaryl alkanes | incomplete | 4 | 1 | |||
HALOGENATED ORGANIC COMPOUNDS | incomplete | This compound group is defined by the SMILES string 'C[F,Cl,Br,I]'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. |
structure | 16965 | 3 | |
HALONS GROUP | incomplete | This compound group has not yet been assigned a structural definition. | other | 11 | 0 |