COMPOUND GROUP NAME | POPULATION STATUS | DATE POPULATED | DESCRIPTION | PROFILE TYPE | # MEMBERS | # HAZARDS |
---|---|---|---|---|---|---|
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 | 13 | ||
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 | 6 | |
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 | 12 | ||
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 | 922 | 2 | |
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 | 4 | |
Titanium dioxide compounds | incomplete | This compound group has not yet been assigned a structural definition. |
other | 9 | 9 | |
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 | 7 | |
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 | 5500 | 0 | |
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 | 32 | |
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 | 40 | |
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 | 33 | |
TRIBUTYLTIN ESTERS | incomplete | This compound group has not yet been assigned a structural definition. | structure | 0 | 32 | |
TRIBUTYLTIN SALTS | incomplete | This compound group has not yet been assigned a structural definition. | structure | 0 | 32 | |
Trichlorobenzenes | complete | This compound group has not yet been assigned a structural definition. | other | 4 | 5 | |
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 | 10 | |
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 | 15 | ||
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 | 0 | |
Trimethylbenzene isomers | incomplete | This compound group has not yet been assigned a structural definition. | other | 2 | 1 | |
Trimethylhexamethylene-1,6-di-isocyanates | incomplete | This compound group has not yet been assigned a structural definition. | other | 2 | 0 | |
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 | 15 | |
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 | 20 | |
Trinickel, other salts | incomplete | This compound group has not yet been assigned a structural definition. | other | 6 | 0 | |
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 | 17 | |
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 | 21 | ||
Triorganotin compounds | incomplete | This compound group was populated from the 2016 GADSL list at http://www.gadsl.org/ as well as subgroups. |
structure | 194 | 10 | |
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 | 25 | |
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 | 30 | |
Triphenyltin fatty acid ester (alkyl C=9-11) | incomplete | This compound group has not yet been assigned a structural definition. | other | 0 | 27 | |
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 | 12 | |
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 | 17 | |
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 | 927 | 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 | 27 | 16 | |
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 | 122 | 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 |