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 | 8 | 7 | |
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. |
other | 3 | 1 | |
Di-isodecyl phthalate and metabolite | complete | This compound group has not yet been assigned a structural definition. | other | 4 | 1 | |
Di-n-Octyl Phthalate and metabolites | complete | This compound group has not yet been assigned a structural definition. | other | 2 | 1 | |
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 | 602 | 2 | |
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 | 1 | |
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 | 1 | |
dichloropropanes | complete | This compound group has not yet been assigned a structural definition. | other | 17 | 1 | |
Dicyclohexyl phthalate and metabolite | complete | This compound group has not yet been assigned a structural definition. | other | 1 | 1 | |
Diethyl hexyl phthalate and metabolites | complete | This compound group has not yet been assigned a structural definition. | other | 4 | 1 | |
Diethyl phthalate and metabolite | incomplete | This compound group has not yet been assigned a structural definition. | other | 1 | 1 | |
Diisobutyl phthalate and metabolite | incomplete | This compound group has not yet been assigned a structural definition. | other | 1 | 1 | |
Diisononyl phthalate (DINP) compounds | incomplete | This compound group has not yet been assigned a structural definition. |
other | 9 | 14 | |
Dimethyl phthalate and metabolite | incomplete | This compound group has not yet been assigned a structural definition. | other | 3 | 1 | |
Dimethylphenols | incomplete | This compound group has not yet been assigned a structural definition. | other | 0 | 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 | 2 | |
Dinitrotoluenes | incomplete | This compound group has not yet been assigned a structural definition. | other | 15 | 1 | |
DIOXINS & DIOXIN-LIKE COMPOUNDS | incomplete | This compound group has not yet been assigned a structural definition. |
other | 22 | 13 | |
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 | 3 | |
Erionite | incomplete | This compound group has not yet been assigned a structural definition. | other | 3 | 1 | |
esters of 2,4-D | incomplete | This compound group has not yet been assigned a structural definition. |
other | 0 | 4 | |
esters of mecoprop and of mecoprop-P | incomplete | This compound group has not yet been assigned a structural definition. |
other | 0 | 4 | |
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 | |
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 | 1 | |
Extract residues (coal), and other fractions and distillation residues | incomplete | This compound group has not yet been assigned a structural definition. | other | 15 | 1 | |
Extracts (petroleum) and realted distillates and unspecified fractions | incomplete | This compound group has not yet been assigned a structural definition. | other | 26 | 1 | |
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 | 1 | |
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 | |
fluorosilicates | incomplete | This compound group has not yet been assigned a structural definition. |
other | 2 | 0 | |
Foots oil (petroleum) and other treated and untreated Foots oil | incomplete | This compound group has not yet been assigned a structural definition. | other | 6 | 1 | |
Formaldehyde compounds and polymers | complete | 09/11/18 | This compound group was populated by searching ChemIDplus for all compounds whose name contained "formaldehyde". Additionally, it contains the compounds in its subgroups. |
other | 1161 | 2 |
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 | 1 | |
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 | 1 | |
Gas oils (petroleum), treated fractions | incomplete | This compound group has not yet been assigned a structural definition. | other | 15 | 1 | |
Gases (petroleum), refined, and recovered Refinery gasses | incomplete | This compound group has not yet been assigned a structural definition. | other | 88 | 1 | |
Gasoline (automotive, refined, processed, recovered, and other unspecified fractions) | incomplete | This compound group has not yet been assigned a structural definition. | other | 8 | 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 | 1 | |
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 | |
HALONS GROUP | incomplete | This compound group has not yet been assigned a structural definition. | other | 11 | 0 | |
Hexahydromethylphthalic anhydride and its isomers | 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. This isomer group populated from SIN List 2.1 | other | 5 | 2 | |
Hexahydrophthalic anhydride and isomer group | incomplete | This compound group has not yet been assigned a structural definition. | other | 3 | 1 | |
Hexane isomers | incomplete | This compound group has not yet been assigned a structural definition. | other | 5 | 2 | |
Hexane, 1,6-diisocyanato-, homopolymer, reaction products with alpha-fluoro-omega-2-hydroxyethyl-poly(difluoromethylene), C16-20-branched alcohols and 1-octadecanol | incomplete | This compound group has not yet been assigned a structural definition. | other | 0 | 1 | |
Highly Fluorinated Substances | incomplete | The chemicals in this list are taken from many sources, including:
|
other | 10726 | 2 | |
highly halogenated, carbon-based materials | incomplete | other | 243 | 1 | ||
Hydrazines | incomplete | This compound group is populated from its subgroups, which include methylhydrazines, dimethyl hydrazines, and phenylhydrazines https://www.cdc.gov/niosh/topics/cancer/npotocca.html |
other | 15 | 3 | |
Hydrobromofluorocarbons | incomplete | This compound group was populated from the 2016 GADSL list at http://www.gadsl.org/ |
other | 58 | 1 | |
Hydrocarbons, treated and distilled, various fractions and residues | incomplete | This compound group has not yet been assigned a structural definition. | other | 58 | 1 | |
HYDROCHLOROFLUOROCARBONS (HCFC) | incomplete | This compound group has not yet been assigned a structural definition. |
other | 128 | 3 | |
Hydrofluorocarbons (HFC), short-chain | incomplete | This compound group has not yet been assigned a structural definition. | other | 21 | 1 | |
Hydrofluorocarbons (HFCs) | incomplete | This compound group was populated from the 2016 GADSL list at http://www.gadsl.org/ |
other | 30 | 0 | |
Hydroxy-Chlorobiphenyls | incomplete | This compound group has not yet been assigned a structural definition. | other | 0 | 1 | |
Hydroxylamine salts | in progress | This compound group is defined by the SMILES string '[NH3+]O.[*-]'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. | other | 0 | 1 | |
Inorganic Ammonium Salts | complete | 08/01/18 | This compound group is defined by the SMILES string '[NH4] subtracting [NH4].C'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. |
other | 244 | 2 |
Inorganic chloramines | incomplete | This compound group has not yet been assigned a structural definition. The following three SMARTS strings would be expected to capture all chloramines but there are unknown errors when searching PubChem [ND1][ClD1] plus [ClD1][ND2][ClD1] plus [ClD1][ND3]([ClD1])[ClD1] For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. |
other | 3 | 1 | |
Inorganic cyanide compounds | complete | 03/12/20 | This compound group was manually populated with inorganic cyanide compounds. It is based on an entry in Korea's GHS. |
other | 21 | 13 |
Inorganic silver, salts | incomplete | This compound group has not yet been assigned a structural definition. |
other | 0 | 3 | |
Inorganic zinc, salts | in progress | This compound group is defined by the SMILES string '[ZnD0]' subtracting '[ZnD0].C' . For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. |
other | 0 | 2 | |
Ioxynil salts | complete | 07/30/18 | This compound group has not yet been assigned a structural definition. |
other | 11 | 0 |
Iron salts (soluble) | incomplete | This compound group has not yet been assigned a structural definition. | other | 0 | 1 | |
Isoeugenol Isomers | incomplete | This compound group has not yet been assigned a structural definition. | other | 3 | 1 | |
Jet Fuels, JP-4, JP-5, JP-7 and JP-8 | incomplete | This compound group has not yet been assigned a structural definition. | other | 1 | 1 | |
Lasalocid, salts | incomplete | This compound group has not yet been assigned a structural definition. |
other | 0 | 1 | |
lead compounds 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 | 960 | 47 | |
Lead compounds 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 | 960 | 41 | |
LEAD COMPOUNDS, ALKYL | incomplete | This compound group has not yet been assigned a structural definition. One approach would be to use the SMILES string 'C[Pb]' and remove substances containing 'c[Pb]' (lowercase specifies aromatic). There are technical challenges since PubChem doesn't seem to provide an option to distinguish between aromatic and aliphatic carbons. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. |
other | 110 | 54 | |
LEAD COMPOUNDS, INORGANIC | in progress | This compound group is defined by the SMILES string '[Pb]' 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 | 408 | 48 | |
Lubricating oils (petroleum), various treated, extracted fracions, Baseoil - unspecified | incomplete | This compound group has not yet been assigned a structural definition. | other | 14 | 1 | |
Lubricating oils, - used, distilled, refined used, and treated fractions | incomplete | This compound group has not yet been assigned a structural definition. | other | 7 | 1 | |
magnesium alkyls | incomplete | This compound group has not yet been assigned a structural definition. |
other | 0 | 3 | |
magnesium salts, fatty acids, C16-18 and C18 unsaturated, branched and linear | incomplete | This compound group has not yet been assigned a structural definition. |
other | 0 | 1 | |
Malachite green salts | incomplete | This compound group has not yet been assigned a structural definition. |
other | 0 | 5 | |
Manganese Compounds, soluble | incomplete | This compound group has not yet been assigned a structural definition. | other | 0 | 5 | |
MERCURY COMPOUNDS, ALKYL | incomplete | This compound group has not yet been assigned a structural definition. Substructure searches in PubChem cannot easily distinguish between aliphatic and aromatic carbons. If it could, the compound group would be defined by the SMILES string 'C[Hg]' and subsequently filtered to remove substances containing 'c[Hg]' (lowercase specifies aromatic). For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. |
other | 486 | 35 | |
MERCURY COMPOUNDS, INORGANIC | in progress | This compound group is defined by the SMILES string '[Hg]' 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 | 128 | 37 | |
metal 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. |
other | 0 | 5 | |
Methacrylates | incomplete | This compound group is defined by the SMILES string 'CC(=C)C(=O)OC'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. |
other | 36 | 2 | |
METHYLENE DIPHENYL DIISOCYANATE (MDI) COMPOUNDS | incomplete | This compound group has not yet been assigned a structural definition. | other | 15 | 4 | |
Monensin, salts | incomplete | This compound group has not yet been assigned a structural definition. |
other | 0 | 1 | |
monoalkyl or monoaryl or monoalkyaryl esters of methacrylic acid | incomplete | This compound group has not yet been assigned a structural definition. |
other | 1 | 0 | |
monoalkyl or monoaryl or monoalkylaryl esters of acrylic acid | incomplete | This compound group has not yet been assigned a structural definition. |
other | 1 | 0 | |
monoalkyl or monoaryl or monoalkylaryl esters of acrylic 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. |
other | 0 | 4 | |
Monohalomethanes | complete | This compound group is composed of four chemicals so no substructure search is needed to populate it |
other | 4 | 2 | |
N-Alkyl toluidine | incomplete | This compound group has not yet been assigned a structural definition. |
other | 0 | 5 |