COMPOUND GROUP NAME | POPULATION STATUS | DATE POPULATED | DESCRIPTION | PROFILE TYPE | # MEMBERS | # HAZARDS |
---|---|---|---|---|---|---|
Zirconium, soluble compounds | incomplete | This compound group has not yet been assigned a structural definition. | other | 0 | 1 | |
Zirconium, insoluble compounds | incomplete | This compound group has not yet been assigned a structural definition. | other | 0 | 2 | |
Zirconium Compounds | in progress | This compound group is defined by the SMILES string '[Zr]'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. |
10 | 0 | ||
ZINC COMPOUNDS | in progress | This compound group is defined by the SMILES string '[Zn]'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. |
element | 80 | 7 | |
Zinc chromates | incomplete | This compound group is defined by the SMILES string '[O-][Cr](=O)(=O)[O-].[Zn+2]'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. |
structure | 14 | 17 | |
Zinc Alloys | incomplete | This compound group has not yet been assigned a structural definition. |
other | 0 | 0 | |
Xylidines 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 | 6 | 5 | |
Xylidine isomers | incomplete | This compound group has not yet been assigned a structural definition. |
other | 8 | 0 | |
XYLENE COMPOUNDS | incomplete | This compound group has not yet been assigned a structural definition. | other | 16 | 2 | |
water soluble zinc salts | 7 | 0 | ||||
Warfarin, salts | incomplete | This compound group has not yet been assigned a structural definition. |
other | 0 | 3 | |
VOLATILE ORGANIC COMPOUNDS | incomplete | This compound group has not yet been assigned a structural definition. | other | 1 | 0 | |
Volatile Methylated Siloxanes (VMS) | incomplete | This compound group has not yet been assigned a structural definition. |
other | 8 | 2 | |
Volatile esters of bromoacetic acids | incomplete | This compound group has not yet been assigned a structural definition. | other | 0 | 1 | |
Vinyl halides | complete | This compound group is composed of four chemicals so no substructure search is needed to populate it |
other | 4 | 2 | |
Vanadium compounds, inorganic | in progress | This compound group is defined by the SMILES string '[V]' 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 | 1 | 2 | |
Vanadium and compounds, unless water solubility < 4 g Vanadium/l | complete | 5 | 0 | |||
US CDC National Report on Human Exposure to Environmental Chemicals List | incomplete | 07/27/20 | CASRN were manually assigned based on the chemical list at https://www.cdc.gov/exposurereport/pdf/Report_Chemical_List-508.pdf The reports are available at https://www.cdc.gov/exposurereport/index.html Executive summary: https://www.cdc.gov/exposurereport/pdf/FourthReport_ExecutiveSummary.pdf Spreadsheet indicating which chemicals have not been assigned CASRN / included: https://docs.google.com/spreadsheets/d/1cUDY8uAy7lUdYpJ4iGw7bC2sVq23k1A9BhEEHaPqLSw/edit#gid=575529260 |
fixed list | 744 | 0 |
Uranium compounds, soluble inorganic | incomplete | This compound group has not yet been assigned a structural definition. | other | 0 | 4 | |
Uranium compounds, insoluble | incomplete | This compound group has not yet been assigned a structural definition. | other | 0 | 2 | |
Uranium 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 | 3 | 6 | |
Uranium compounds | in progress | This compound group is defined by the SMILES string '[U]'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. | element | 6 | 2 | |
Tripropyltin 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 | 0 | 12 | |
tripropyltin compounds | in progress | This compound group is defined by the SMILES string '[CH3][CH2][CH2][Sn]([CH2][CH2][CH3])([CH2][CH2][CH3])'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. |
structure | 1 | 7 | |
Triphenyltin fatty acid ester (alkyl C=9-11) | incomplete | This compound group has not yet been assigned a structural definition. | other | 0 | 21 | |
Triphenyltin 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 | 3 | 24 | |
TRIPHENYLTIN COMPOUNDS | in progress | This compound group is defined by the SMILES string 'C1=CC=C(C=C1)[Sn](C2=CC=CC=C2)C3=CC=CC=C3'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. |
structure | 6 | 19 | |
Triorganotin compounds | incomplete | This compound group was populated from the 2016 GADSL list at http://www.gadsl.org/ as well as subgroups. |
structure | 190 | 7 | |
Trioctyltin 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. |
0 | 15 | ||
Trioctyltin compounds | in progress | This compound group is defined by the SMILES string 'CCCCCCCC[Sn](CCCCCCCC)(CCCCCCCC)'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. |
structure | 2 | 11 | |
Trinickel, other salts | incomplete | This compound group has not yet been assigned a structural definition. | other | 6 | 1 | |
Trimethyltin 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 | 2 | 14 | |
trimethyltin compounds | in progress | This compound group is defined by the SMILES string '[CH3][Sn]([CH3])([CH3])'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. |
structure | 3 | 9 | |
Trimethylpentane isomers | incomplete | This compound group has not yet been assigned a structural definition. | other | 10 | 1 | |
Trimethylhexamethylene-1,6-di-isocyanates | incomplete | This compound group has not yet been assigned a structural definition. | other | 2 | 1 | |
Trimethylbenzene isomers | incomplete | This compound group has not yet been assigned a structural definition. | other | 3 | 2 | |
Trihalomethanes | incomplete | This compound group is defined by the SMILES string '[CH]([F,Cl,Br,I])([F,Cl,Br,I])[F,Cl,Br,I]'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. | other | 4 | 1 | |
triethyltin 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. |
0 | 12 | ||
triethyltin compounds | in progress | This compound group is defined by the SMILES string '[CH3][CH2][Sn]([CH2][CH3])([CH2][CH3])'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. |
structure | 1 | 7 | |
Trichlorophenol and its salts | incomplete | This compound group has not yet been assigned a structural definition. |
other | 9 | 0 | |
Trichlorobenzenes | complete | This compound group has not yet been assigned a structural definition. | other | 4 | 3 | |
TRIBUTYLTIN SALTS | incomplete | This compound group has not yet been assigned a structural definition. | structure | 0 | 26 | |
TRIBUTYLTIN ESTERS | incomplete | This compound group has not yet been assigned a structural definition. | structure | 0 | 26 | |
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 | 114 | 27 | |
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 | 114 | 34 | |
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 | 118 | 26 | |
Triaryl tin hydroxide | 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 | |
Trialkyltinhydroxide, salts | incomplete | This compound group has not yet been assigned a structural definition. |
other | 0 | 5 | |
trialkylboranes | incomplete | This compound group has not yet been assigned a structural definition. |
structure | 0 | 2 | |
trialkylamines, trialkanolamines and their salts | 6 | 0 | ||||
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 | |
Toxins derived from Fusarium moniliforme (Fusarium verticillioides) | incomplete | This group has not been assigned a structural definition yet. |
0 | 1 | ||
Toxic Heavy Metals | incomplete | Compounds containing
|
other | 5024 | 1 | |
Toluenediisocyanates (MAK list) | incomplete | This groups is populated from three chemicals in the MAK list. |
other | 0 | 2 | |
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 | 9 | 8 | |
Titanium dioxide compounds | incomplete | This compound group has not yet been assigned a structural definition. |
other | 9 | 10 | |
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 | |
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 | 874 | 3 | |
Thiurams | incomplete | This compound group has not yet been assigned a structural definition. | other | 0 | 1 | |
thioglycolic acid esters | CASRN taken from https://ntp.niehs.nih.gov/ntp/htdocs/chem_background/exsumpdf/sodiumthioglycolate_508.pdf |
1 | 0 | |||
Thioglycolic acid and its salts | CASRN taken from https://ntp.niehs.nih.gov/ntp/htdocs/chem_background/exsumpdf/sodiumthioglycolate_508.pdf |
4 | 0 | |||
Thioglycolates | incomplete | This compound group has not yet been assigned a structural definition. | other | 0 | 2 | |
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 | |
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. |
6 | 4 | ||
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 | 218 | 0 |
THALLIUM (I), SOLUBLE SALTS | incomplete | This compound group has not yet been assigned a structural definition. | other | 7 | 1 | |
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 | ||
Tetramethyl acetyloctahydronaphthalenes - Biomonitoring CA | incomplete | This group is populated from the list at https://biomonitoring.ca.gov/chemicals |
fixed list | 0 | 0 | |
TETRACYCLINES | incomplete | This compound group has not yet been assigned a structural definition. | other | 0 | 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 | ||
tetrachloroplatinates | incomplete | This compound group has not yet been assigned a structural definition. |
structure | 1 | 1 | |
Tetrachlorobenzenes | complete | This compound group has not yet been assigned a structural definition. | other | 4 | 4 | |
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 | ||
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 | |
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 | 12 | 0 | |
Tars, coal | incomplete | This compound group has not yet been assigned a structural definition. | other | 8 | 1 | |
Tar, brown-coal | incomplete | This compound group has not yet been assigned a structural definition. | other | 2 | 1 | |
Tar oils, coal and oil fractions | incomplete | This compound group has not yet been assigned a structural definition. | other | 3 | 1 | |
Tar bases, coal and other Distillate Bases | incomplete | This compound group has not yet been assigned a structural definition. | other | 10 | 1 | |
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 | |
TAMOXIFEN SALTS | complete | 07/08/19 | The citrate salt appears to be the only commonly available salt |
fixed list | 2 | 2 |
Tail gas (petroleum), processed, distillates and fractions | incomplete | This compound group has not yet been assigned a structural definition. | other | 31 | 1 | |
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 | |
sunscreens | 9 | 0 | ||||
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 | ||
Styrene and derivatives | incomplete | This compound group has not yet been assigned a structural definition. | other | 26 | 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 | |
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 | |
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 | 8 | |
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 |