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
tris(branched and linear 4-nonylphenyl) phosphite [with ≥ 0.1% w/w of branched and linear 4-nonylphenol] complete 02/27/23

ECHA chemical group parent

 0 6
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 942 0
Vanadium and compounds, unless water solubility < 4 g Vanadium/l complete 5 1
Vanadium Compounds 253 1
Vanadium compounds, inorganic in progress other 249 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 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 2
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 complete

This compound group is defined by a substructure search of PubChem the SMILES/SMARTS 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 19
zinc chromates including zinc potassium chromate - ECHA complete 05/26/23

ECHA defined chemical group

 fixed list 12 5
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 123 9
Zirconia Aluminosilicate Refractory Ceramic Fibres

Zirconia Aluminosilicate Refractory Ceramic Fibres are fibres covered by index number 650-017-00-8 in Annex VI, part 3, table 3.1 of Regulation (EC) No 1272/2008 of the European Parliament and of the Council of 16 December 2008 on classification, labelling and packaging of substances and mixtures, and fulfil the three following conditions:  a) oxides of aluminium, silicon and zirconium are the main components  present (in the fibres) within variable concentration ranges  b) fibres have a length weighted geometric mean diameter less two standard geometric errors of 6 or less micrometres (µm). c) alkaline oxide and alkali earth oxide (Na2O+K2O+CaO+MgO+BaO) content less or equal to 18% by weight.

ECHA chemical group parent

 1 18
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 3
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