| COMPOUND GROUP NAME | POPULATION STATUS | DATE POPULATED | DESCRIPTION | PROFILE TYPE | # MEMBERS | # HAZARDS |
|---|---|---|---|---|---|---|
| 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 | 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 | 5 | |
| 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 | 7 | |
| 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 | 3 | |
| 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 | 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 | 1 | |
| 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
|
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 | |
| salts of strychnine | incomplete | This compound group has not yet been assigned a structural definition. |
structure | 0 | 8 | |
| salts of thiocyanic acid | incomplete | This compound group has not yet been assigned a structural definition. |
structure | 1 | 0 | |
| 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 | ||
| 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 | 3279 | 5 |
| 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. |
3249 | 10 | ||
| 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 | |
| Sepiolite compounds | incomplete | This compound group has not yet been assigned a structural definition. | other | 12 | 1 | |
| 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 | 26 | 1 | |
| Short-Chain Chlorinated Paraffins (SCCP) | incomplete | This compound group has not yet been assigned a structural definition. |
other | 3 | 8 | |
| SILANE & SILOXANES GROUP | incomplete | This compound group has not yet been assigned a structural definition. | other | 80 | 0 | |
| Silanes | incomplete | This compound group has not yet been assigned a structural definition. | other | 41 | 0 | |
| Slack wax (petroleum), treated Slack wax | incomplete | This compound group has not yet been assigned a structural definition. | other | 10 | 1 | |
| Solvent naphtha (coal), and related compounds | incomplete | This compound group has not yet been assigned a structural definition. | other | 8 | 1 | |
| Solvent naphtha (petroleum), and related processed products | incomplete | This compound group has not yet been assigned a structural definition. | other | 17 | 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 | 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 | 15 | 1 | |
| Strong Inorganic Acid Mists Containing Sulfuric Acid | incomplete | This group has not been assigned a structural definition yet. |
other | 4 | 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 | |
| Styrene and derivatives | incomplete | This compound group has not yet been assigned a structural definition. | other | 40 | 1 | |
| Sulfur containing perfluorocarbons with no unsaturations and with sulfur bonds only to carbon and fluorine | incomplete | This group hasn't been assigned a structural definition yet. |
0 | 6 | ||
| Synthetic hormones used in food production - Biomonitoring CA | incomplete | This group is populated from the list at https://biomonitoring.ca.gov/chemicals |
fixed list | 0 | 0 | |
| Tail gas (petroleum), processed, distillates and fractions | incomplete | This compound group has not yet been assigned a structural definition. | other | 32 | 1 | |
| TAMOXIFEN SALTS | complete | 07/08/19 | The citrate salt appears to be the only commonly available salt |
fixed list | 3 | 2 |
| Tar acids, distillate phenols, crude phenols and other related fractions | incomplete | This compound group has not yet been assigned a structural definition. | other | 14 | 1 | |
| Tar bases, coal and other Distillate Bases | incomplete | This compound group has not yet been assigned a structural definition. | other | 11 | 1 | |
| Tar oils, coal and oil fractions | incomplete | This compound group has not yet been assigned a structural definition. | other | 3 | 1 | |
| Tar, brown-coal | incomplete | This compound group has not yet been assigned a structural definition. | other | 2 | 1 | |
| Tars, coal | incomplete | This compound group has not yet been assigned a structural definition. | other | 11 | 1 | |
| Terephthalates | incomplete | Terephthalates whose toxicology studies we have reviewed to date don't share the hazards that are common to studied orthophthalates. This is thought to be due to the fact that terephthalates are unlikely to break down to a toxic monoester. Orthophthalates are capable of breaking down to a toxic monoester. |
structure | 16 | 0 | |
| Tetraalkyl lead compounds | in progress | This compound group has not yet been assigned a structural definition. One approach would be to use the SMILES string 'C[Pb](*C)(C)C' 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 | 22 | 54 | |
| Tetrabutyltin compounds | in progress | This compound group is defined by the SMILES string '[CH3][CH2][CH2][CH2][Sn]([CH2][CH2][CH2][CH3])([CH2][CH2][CH2][CH3])[CH2][CH2][CH2][CH3]'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. |
2 | 9 | ||
| Tetrachlorobenzenes | complete | This compound group has not yet been assigned a structural definition. | other | 4 | 4 | |
| tetrachloroplatinates | incomplete | This compound group has not yet been assigned a structural definition. |
structure | 1 | 1 | |
| tetrachloroplatinates 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 | 5 | ||
| TETRACYCLINES | incomplete | This compound group has not yet been assigned a structural definition. | other | 0 | 1 | |
| Tetramethyl acetyloctahydronaphthalenes - Biomonitoring CA | incomplete | This group is populated from the list at https://biomonitoring.ca.gov/chemicals |
fixed list | 0 | 0 | |
| Tetraoctyltin compounds | complete | This compound group is defined by the SMILES string '[CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][Sn]([CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH3])([CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH3])[CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH3]', then subtracting compounds with 2+ octyl ligands. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. |
0 | 8 | ||
| THALLIUM (I), SOLUBLE SALTS | incomplete | This compound group has not yet been assigned a structural definition. | other | 11 | 1 | |
| Thallium Compounds | complete | 07/30/18 | This compound group is defined by the SMILES string '[Tl]'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. |
element | 264 | 0 |
| thallium 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. |
7 | 4 | ||
| Thiazoles | incomplete | This compound group is defined by the SMILES string 'C1=CSC=N1'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. |
other | 0 | 1 | |
| Thioglycolates | incomplete | This compound group has not yet been assigned a structural definition. | other | 0 | 2 | |
| Thiurams | incomplete | This compound group has not yet been assigned a structural definition. | other | 0 | 1 | |
| Tin Compounds | incomplete | This compound group is defined by the SMILES string '[Sn]'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. |
element | 963 | 3 | |
| TIN COMPOUNDS, INORGANIC | in progress | This compound group is defined by the SMILES string '[Sn]' 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 | 2 | 5 | |
| Titanium dioxide compounds | incomplete | This compound group has not yet been assigned a structural definition. |
other | 72 | 10 | |
| Toluene Diisocyanate (TDI) Compounds | incomplete | This compound group is defined by the SMILES string 'CC1=C(C=C(C=C1))N=C=O'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. The MAK list populates this group with the following three compounds (none of the CASRN are valid) Toluene‐2,4‐diisocyanate [584‐84‐9], Toluene‐2,6‐diisocyanate [91‐08‐7], mixture [26471‐62‐5] |
structure | 39 | 8 | |
| Toluenediisocyanates (MAK list) | incomplete | This groups is populated from three chemicals in the MAK list. |
other | 0 | 2 | |
| Toxic Heavy Metals | incomplete | Compounds containing
|
other | 4654 | 1 | |
| Toxins derived from Fusarium moniliforme (Fusarium verticillioides) | incomplete | This group has not been assigned a structural definition yet. |
0 | 1 | ||
| Trialkyl tin hydroxide | incomplete | This compound group has not yet been assigned a structural definition. Distinguishing between alkyl and aryl side chains is not straightforward in PubChem's substructure searches. The SMILES string "[CH2][Sn]([CH2])([CH2])[OH]" captures the relevant groups but is not specific enough. |
other | 0 | 5 | |
| trialkylboranes | incomplete | This compound group has not yet been assigned a structural definition. |
structure | 0 | 2 | |
| Trialkyltinhydroxide, salts | incomplete | This compound group has not yet been assigned a structural definition. |
other | 0 | 5 | |
| Trialkyltinoxide | incomplete | This compound group has not yet been assigned a structural definition. |
other | 0 | 5 | |
| Triaryl tin hydroxide | incomplete | This compound group has not yet been assigned a structural definition. |
other | 0 | 5 | |
| Tributyltin compounds | in progress | This compound group is defined by the SMILES string '[CH3][CH2][CH2][CH2][Sn]([CH2][CH2][CH2][CH3])[CH2][CH2][CH2][CH3]' subtracting '[CH3][CH2][CH2][CH2][Sn]([CH2][CH2][CH2][CH3])([CH2][CH2][CH2][CH3])[CH2][CH2][CH2][CH3]'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. |
structure | 122 | 25 | |
| Tributyltin 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 | 118 | 33 | |
| Tributyltin 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 | 118 | 26 | |
| TRIBUTYLTIN ESTERS | incomplete | This compound group has not yet been assigned a structural definition. | structure | 0 | 25 |