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Compound Groups

Compound groups are groups of chemicals that share structural or chemical features. In most cases, hazard lists will assign hazards to individual substances. Compound groups are useful because in some cases, lists will instead identify a group of structurally similar compounds (such as lead compounds) as all having the same hazard. The Pharos staff is in the process of establishing and populating compound groups, and associating warnings from the hazard lists with them. The table below indicates how each compound group is populated, and what is the status of its population.
Compound Groups
COMPOUND GROUP NAME POPULATION STATUS DATE POPULATED DESCRIPTION PROFILE TYPE # MEMBERS # HAZARDS
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 923 3
Titanium dioxide compounds incomplete

This compound group has not yet been assigned a structural definition.

other 10 6
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 

  • Arsenic
  • Cadmium
  • Chromium VI
  • Lead
  • Mercury
other 5547 1
Toxins derived from Fusarium moniliforme (Fusarium verticillioides) incomplete

This group has not been assigned a structural definition yet.

0 3
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
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, 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 38
tributyltin compounds, with the exception of those specified elsewhere in this annex incomplete

This compound group is populated by taking the more general compound group and subtracting the chemicals found in the relevent Annex.

other 119 48
TRIBUTYLTIN ESTERS incomplete This compound group has not yet been assigned a structural definition. structure 0 35
TRIBUTYLTIN SALTS incomplete This compound group has not yet been assigned a structural definition. structure 0 35
Trichlorophenol and its salts incomplete

This compound group has not yet been assigned a structural definition.

other 9 0
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 19
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, 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 23
Trinickel, other salts incomplete This compound group has not yet been assigned a structural definition. other 6 0
trioctyltin compounds, with the exception of those specified elsewhere in this Annex incomplete

This compound group is populated by taking the more general compound group and subtracting the chemicals found in the relevent Annex.

119 48
Triorganotin compounds incomplete

This compound group was populated from the 2016 GADSL list at http://www.gadsl.org/ as well as subgroups.

structure 194 13
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 34
Triphenyltin fatty acid ester (alkyl C=9-11) incomplete This compound group has not yet been assigned a structural definition. other 0 31
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 20
Tuaminoheptane, its isomers and salts incomplete This compound group has not yet been assigned a structural definition. structure 1 1
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 941 0
Volatile esters of bromoacetic acids incomplete This compound group has not yet been assigned a structural definition. other 0 2
Volatile Methylated Siloxanes (VMS) incomplete

This compound group has not yet been assigned a structural definition.

other 9 3
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
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
Zirconium, insoluble compounds incomplete This compound group has not yet been assigned a structural definition. other 0 5
Zirconium, soluble compounds incomplete This compound group has not yet been assigned a structural definition. other 0 4