COMPOUND GROUP NAME | POPULATION STATUS | DATE POPULATED | DESCRIPTION | PROFILE TYPE | # MEMBERS | # HAZARDS |
---|---|---|---|---|---|---|
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 | |
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 | 59 | |
Tetrabenazine and its salts | incomplete | This compound group has not yet been assigned a structural definition. | structure | 1 | 1 | |
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 | 11 | ||
Tetracain and its salts | 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 | 8 | |
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 | |
Tetrahydrozoline and its salts, Tetryzoline | incomplete | This compound group has not yet been assigned a structural definition. | structure | 1 | 1 | |
Tetramethyl acetyloctahydronaphthalenes - Biomonitoring CA | incomplete | This group is populated from the list at https://biomonitoring.ca.gov/chemicals |
fixed list | 0 | 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 | 10 | ||
Thalidomide and its salts | incomplete | This compound group has not yet been assigned a structural definition. | structure | 1 | 1 | |
THALLIUM (I), SOLUBLE SALTS | incomplete | This compound group has not yet been assigned a structural definition. | other | 7 | 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 | 216 | 3 |
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 | 7 | ||
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 | |
Thioglycolic acid and its salts | CASRN taken from https://ntp.niehs.nih.gov/ntp/htdocs/chem_background/exsumpdf/sodiumthioglycolate_508.pdf |
4 | 1 | |||
thioglycolic acid esters | CASRN taken from https://ntp.niehs.nih.gov/ntp/htdocs/chem_background/exsumpdf/sodiumthioglycolate_508.pdf |
1 | 0 | |||
Thiourea and its derivatives | incomplete | This compound group has not yet been assigned a structural definition. | structure | 1 | 1 | |
Thiurams | incomplete | This compound group has not yet been assigned a structural definition. | other | 0 | 1 | |
Thyropropic acid and its salts | incomplete | This compound group has not yet been assigned a structural definition. | structure | 1 | 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 | 920 | 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 | 9 | 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 | 9 | 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 | 5374 | 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 | |
trialkylamines, trialkanolamines and their salts | 6 | 0 | ||||
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 | |
Triamterene and its salts | incomplete | This compound group has not yet been assigned a structural definition. | structure | 1 | 1 | |
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 | 30 | |
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 | 38 | |
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 | 31 | |
TRIBUTYLTIN ESTERS | incomplete | This compound group has not yet been assigned a structural definition. | structure | 0 | 30 | |
TRIBUTYLTIN SALTS | incomplete | This compound group has not yet been assigned a structural definition. | structure | 0 | 30 | |
Trichlorobenzenes | complete | This compound group has not yet been assigned a structural definition. | other | 4 | 7 | |
Trichlorophenol and its salts | incomplete | This compound group has not yet been assigned a structural definition. |
other | 9 | 0 | |
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 | 8 | |
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 | 13 | ||
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 | |
Trimethylbenzene isomers | incomplete | This compound group has not yet been assigned a structural definition. | other | 3 | 2 | |
Trimethylhexamethylene-1,6-di-isocyanates | incomplete | This compound group has not yet been assigned a structural definition. | other | 2 | 1 | |
Trimethylpentane isomers | incomplete | This compound group has not yet been assigned a structural definition. | other | 10 | 1 | |
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 | 13 | |
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 | 18 | |
Trinickel, other salts | incomplete | This compound group has not yet been assigned a structural definition. | other | 6 | 1 | |
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 | 15 | |
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 | 19 | ||
Triorganotin compounds | incomplete | This compound group was populated from the 2016 GADSL list at http://www.gadsl.org/ as well as subgroups. |
structure | 194 | 8 | |
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 | 23 | |
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 | 28 | |
Triphenyltin fatty acid ester (alkyl C=9-11) | incomplete | This compound group has not yet been assigned a structural definition. | other | 0 | 25 | |
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 | 10 | |
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 | 15 | |
Tuaminoheptane, its isomers and salts | incomplete | This compound group has not yet been assigned a structural definition. | structure | 1 | 1 | |
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 | |
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, insoluble | incomplete | This compound group has not yet been assigned a structural definition. | other | 0 | 2 | |
Uranium compounds, soluble inorganic | incomplete | This compound group has not yet been assigned a structural definition. | other | 0 | 4 | |
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 | 920 | 0 |
Vanadium and compounds, unless water solubility < 4 g Vanadium/l | complete | 5 | 1 | |||
Vanadium Compounds | 8 | 1 | ||||
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 | 3 | |
Vinyl halides | complete | This compound group is composed of four chemicals so no substructure search is needed to populate it |
other | 4 | 2 | |
Volatile esters of bromoacetic acids | incomplete | This compound group has not yet been assigned a structural definition. | other | 0 | 1 | |
Volatile Methylated Siloxanes (VMS) | incomplete | This compound group has not yet been assigned a structural definition. |
other | 8 | 2 | |
VOLATILE ORGANIC COMPOUNDS | incomplete | This compound group has not yet been assigned a structural definition. | other | 1 | 1 | |
Warfarin, salts | incomplete | This compound group has not yet been assigned a structural definition. |
other | 1 | 5 | |
water soluble zinc salts | 7 | 0 | ||||
XYLENE COMPOUNDS | incomplete | This compound group has not yet been assigned a structural definition. | other | 16 | 2 | |
Xylidine isomers | incomplete | This compound group has not yet been assigned a structural definition. |
other | 9 | 1 | |
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 | 6 | |
Xylometazoline and its salts | incomplete | This compound group has not yet been assigned a structural definition. | structure | 1 | 1 | |
Yohimbine and its salts | incomplete | This compound group has not yet been assigned a structural definition. | structure | 1 | 1 | |
Zinc Alloys | incomplete | This compound group has not yet been assigned a structural definition. |
other | 0 | 0 | |
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 | 22 | 17 | |
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 | 87 | 8 | |
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. |
11 | 2 | ||
Zirconium, insoluble compounds | incomplete | This compound group has not yet been assigned a structural definition. | other | 0 | 4 | |
Zirconium, soluble compounds | incomplete | This compound group has not yet been assigned a structural definition. | other | 0 | 3 |