COMPOUND GROUP NAME | POPULATION STATUS | DATE POPULATED | DESCRIPTION | PROFILE TYPE | # MEMBERS | # HAZARDS |
---|---|---|---|---|---|---|
Noradrenaline and its salts | incomplete | This compound group has not yet been assigned a structural definition. | structure | 1 | 1 | |
Noscapine and its salts | incomplete | This compound group has not yet been assigned a structural definition. | structure | 1 | 1 | |
O-PHENYLENEDIAMINE SALTS | in progress | This compound group is defined by the SMILES string '[CH]1=[CH][CH]=[C]([C](=[CH]1)[ND1])[ND1]'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. |
structure | 2 | 3 | |
Octamoxin and its salts | incomplete | This compound group has not yet been assigned a structural definition. | structure | 1 | 1 | |
Octamylamine and its salts | incomplete | This compound group has not yet been assigned a structural definition. | structure | 1 | 1 | |
Octodrine and its salts | incomplete | This compound group has not yet been assigned a structural definition. | structure | 2 | 1 | |
ORGANOPHOSPHOROUS COMPOUNDS | complete | 09/13/18 | This compound group is defined by the SMILES string 'POC'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. |
structure | 3174 | 1 |
Oxanamide and its derivatives | incomplete | This compound group has not yet been assigned a structural definition. | structure | 1 | 1 | |
Oxpheneridine and its salts | incomplete | This compound group has not yet been assigned a structural definition. | structure | 1 | 1 | |
p-Phenylenediamine and its salts | incomplete | This compound group has not yet been assigned a structural definition. | structure | 2 | 1 | |
Parethoxycaine and its salts | incomplete | This compound group has not yet been assigned a structural definition. | structure | 1 | 1 | |
Pemoline and its salts | incomplete | This compound group has not yet been assigned a structural definition. | structure | 1 | 1 | |
Pentachlorophenol salts and esters | complete | This compound group is defined by a substructure search of PubChem the SMILES/SMARTS string "C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)[OD1] plus C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)[O]C(C)=O". The setting "Remove any explicit hydrogens before searching" was deselected from each substructure search. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. |
structure | 118 | 12 | |
Perchlorates | incomplete | This compound group has not yet been assigned a structural definition and is incomplete. |
structure | 25 | 1 | |
Perfluorobutane sulfonic acid (PFBS) and its salts | incomplete | This compound group has not yet been formally defined. |
structure | 11 | 10 | |
Perfluorooctane sulfonates (PFOS) | complete | This compound group is defined by the SMILES/SMARTS string "C(C(C(C(C(F)(F)S(=O)(=O)O)(F)F)(F)F)(F)F)(C(C(C(F)(F)F)(F)F)(F)F)(F)F" and populated from a substructure search of PubChem. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. |
structure | 42 | 32 | |
Perfluorooctane sulfonyls | incomplete | Compounds that contain one of the following groups: C8F17SO2-, C8F17SO3- or C8F17SO2N-. |
structure | 1 | 18 | |
PERFLUOROOCTANOATE (PFOA, C-8) SALTS | incomplete | Salts of perfluorooctanoic acid (PFOA). |
structure | 2 | 24 | |
Phenmetrazine, its derivatives and salts | incomplete | This compound group has not yet been assigned a structural definition. | structure | 1 | 1 | |
Phenothiazine and its compounds | incomplete | This compound group has not yet been assigned a structural definition. | structure | 1 | 1 | |
Phenyl arsenic compounds | in progress | This compound group is defined by the SMILES string '[As][CH]1=[CH][CH]=C([CH]=[CH]1)'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. |
structure | 0 | 37 | |
Phenyltin compounds | in progress | This compound group is defined by the SMILES string 'C1=CC=C(C=C1)[Sn]'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. | structure | 234 | 15 | |
PHTHALATES (orthophthalates) | complete | This compound group is defined by a substructure search of PubChem using the SMILES string 'COC(=O)c1[cH][cH][cH][cH]c1C(=O)OC'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. |
structure | 712 | 12 | |
Pipazetate and its salts | incomplete | This compound group has not yet been assigned a structural definition. | structure | 1 | 1 | |
Pipradrol and its salts | incomplete | This compound group has not yet been assigned a structural definition. | structure | 1 | 1 | |
polyethlyenepolyamines | incomplete | This compound group has not yet been assigned a structural definition. |
structure | 1 | 0 | |
POLYISOCYANATE COMPOUNDS | complete | 07/24/17 | This compound group is defined by the SMARTS string ([NX2:2]=[C:1]=[OX1:3].[NX2:2]=[C:1]=[OX1:3]), subtracting any compounds whose name contains "polymer". This SMARTS search unfortunately captures polymers made from isocyanates, because their structures are often represented by individual monomers. For more information on SMARTS, see https://en.wikipedia.org/wiki/Smiles_arbitrary_target_specification. |
structure | 575 | 3 |
Procainamide, its salts and derivatives | incomplete | This compound group has not yet been assigned a structural definition. | structure | 1 | 1 | |
salts of 2,4-D | incomplete | This compound group has not yet been assigned a structural definition. |
structure | 3 | 4 | |
salts of 2,4-DB | incomplete | This compound group has not yet been assigned a structural definition. |
structure | 1 | 3 | |
Salts of 3,3'-dichlorobenzidine | complete | This compound group is defined by the SMILES string '[CH1]1=[CH1]C(=C([CH1]=C1C2=[CH1]C(=C([CH1]=[CH1]2)[ND1])[ClD1])[ClD1])[ND1]'. The setting "Remove any explicit hydrogens before searching" was deselected from the substructure search. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. |
structure | 9 | 10 | |
Salts of 3,3'-dimethoxybenzidine | complete | This compound group is defined by a substructure search of PubChem the SMILES/SMARTS string "[CH1]1=[CH1]C(=C([CH1]=C1C2=[CH1]C(=C([CH1]=[CH1]2)[ND1])O[CH3])O[CH3])[ND1]". The setting "Remove any explicit hydrogens before searching" was deselected from the substructure search. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. |
structure | 5 | 8 | |
Salts of 4-aminobiphenyl | complete | This compound group is defined by the SMILES string '[CH1]1=[CH1][CH1]=C([CH1]=[CH1]1)C2=[CH1][CH1]=C([CH1]=[CH1]2)[ND1]'. The setting "Remove any explicit hydrogens before searching" was deselected from the substructure search. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. |
structure | 6 | 10 | |
salts of 4,4'-bi-o-toluidine, salts of 3,3'-dimethylbenzidine, salts of o-tolidine | incomplete | This compound group is defined by a substructure search of PubChem the SMILES/SMARTS string "[CH3]C1=C([CH1]=[CH1]C(=[CH1]1)C2=[CH1]C(=C([CH1]=[CH1]2)[ND1])[CH3])[ND1]". The setting "Remove any explicit hydrogens before searching" was deselected from the substructure search. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. |
structure | 9 | 5 | |
Salts of 4,4'-methylenebis(2-chloroaniline) | complete | This compound group is defined by the SMILES/SMARTS string "[C;D2]1=[C;D2]C(=C([C;D2]=C1[C;D2]C2=[C;D2]C(=C([C;D2]=[C;D2]2)[N;D1])[Cl;D1])[Cl;D1])[N;D1]" and populated from a substructure search of PubChem. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. |
structure | 4 | 12 | |
salts of 4,4'-thiodianiline | complete | This compound group is defined by a substructure search of PubChem the SMILES/SMARTS string "[CH1]1=[CH1]C(=[CH1][CH1]=C1[SD2]C2=[CH1][CH1]=C([CH1]=[CH1]2)[ND1])[ND1]". The setting "Remove any explicit hydrogens before searching" was deselected from the substructure search. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. |
structure | 2 | 5 | |
Salts of aniline | in progress | This compound group is defined by the SMILES string '[CH]1=[CH][CH]=C([CH]=[CH]1)[NH2]'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. |
structure | 5 | 14 | |
salts of ephedrine | incomplete | This compound group has not yet been assigned a structural definition. |
structure | 1 | 2 | |
salts of fenoprop, salts of 2-(2,4,5-trichlorophenoxy)propionic acid | incomplete | This compound group has not yet been assigned a structural definition. |
structure | 0 | 5 | |
salts of mecoprop | incomplete | This compound group has not yet been assigned a structural definition. |
structure | 0 | 5 | |
salts of nicotine | incomplete | This compound group has not yet been assigned a structural definition. |
structure | 1 | 6 | |
salts of papaverine | incomplete | This compound group has not yet been assigned a structural definition. |
structure | 0 | 1 | |
salts of strychnine | incomplete | This compound group has not yet been assigned a structural definition. |
structure | 1 | 10 | |
salts of thiocyanic acid | incomplete | This compound group has not yet been assigned a structural definition. |
structure | 1 | 0 | |
Sparteine and its salts | incomplete | This compound group has not yet been assigned a structural definition. | structure | 1 | 1 | |
Strophantines, their aglucones and derivatives | incomplete | This compound group has not yet been assigned a structural definition. | structure | 1 | 1 | |
Tefazoline and its salts | incomplete | This compound group has not yet been assigned a structural definition. | structure | 1 | 1 | |
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 | 16 | 0 | |
Tetrabenazine and its salts | incomplete | This compound group has not yet been assigned a structural definition. | structure | 1 | 1 | |
Tetracain and its salts | incomplete | This compound group has not yet been assigned a structural definition. | structure | 1 | 1 | |
tetrachloroplatinates | incomplete | This compound group has not yet been assigned a structural definition. |
structure | 1 | 1 | |
Tetrahydrozoline and its salts, Tetryzoline | incomplete | This compound group has not yet been assigned a structural definition. | structure | 1 | 1 | |
Thalidomide and its salts | incomplete | This compound group has not yet been assigned a structural definition. | structure | 1 | 1 | |
Thiourea and its derivatives | incomplete | This compound group has not yet been assigned a structural definition. | structure | 1 | 1 | |
Thyropropic acid and its salts | incomplete | This compound group has not yet been assigned a structural definition. | structure | 1 | 1 | |
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 | |
trialkylboranes | incomplete | This compound group has not yet been assigned a structural definition. |
structure | 0 | 2 | |
Triamterene and its salts | incomplete | This compound group has not yet been assigned a structural definition. | structure | 1 | 1 | |
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 | 123 | 35 | |
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 | |
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 | 13 | |
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 | 18 | |
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 | 121 | 20 | |
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 | 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 | 29 | |
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 | 15 | |
Tuaminoheptane, its isomers and salts | incomplete | This compound group has not yet been assigned a structural definition. | structure | 1 | 1 | |
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 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 | |
1-Heptanesulfonamide, decafluorinated compounds (CA SCP list) | complete | This compound group is populated from the CA Safer Consumer Products list at https://dtsc.ca.gov/scp/. |
fixed list | 10 | 17 | |
2-ethylhexanoic acid and its salts, with the exception of those specified elsewhere in this Annex | complete | 05/22/23 | ECHA defined chemical group |
fixed list | 10 | 4 |
Antimicrobials used in food production - Biomonitoring CA | incomplete | This group is populated from the list at https://biomonitoring.ca.gov/chemicals |
fixed list | 0 | 3 | |
ARISTOLOCHIC ACIDS | complete | 07/09/19 | Aristolochic Acid I and II are the most common. |
fixed list | 3 | 7 |
Biocidal coatings / biocidal additives (GADSL list) | incomplete | This compound group was populated from the 2016 GADSL list at http://www.gadsl.org/ |
fixed list | 447 | 3 | |
C1-C4 Halogenated Hydrocarbons (TRI Category) | 03/09/21 | This compound group was populated using a list of chemicals that are reportable under the MA Toxics Use Reduction Act (TURA). See https://www.mass.gov/guides/massdep-toxics-use-reduction-program#-listed-chemicals- for more information. |
fixed list | 343 | 4 | |
Certain Phthalates (OSPAR) | incomplete | DBP and DEHP were added to the OSPAR List of Chemicals for Priority Action in 1998 as part of the group “certain phthalates”. https://www.ospar.org/documents?v=7028 |
fixed list | 12 | 13 | |
Chlorinated Organic Solvents in Google's MRSL | complete | 02/12/21 | This compound group was populated from the Google Manufacturing Restricted Substances Specification (v1.0) (TTD_3549) |
fixed list | 20 | 1 |
chloroanilines with the exception of those specified elsewhere in Annex VI of Regulation (EC) No 1272/2008 | complete | This compound group is composed of the 5 isomers not explicitly included in Annex VI of Regulation (EC) No 1272/2008 (CLP Regulation). Total number of isomers: monochloroanilines (3 isomers), dichloroanilines (6 isomers), trichloroanilines (6 isomers), tetrachloroanilines (3 isomers) and pentachloroaniline (1 isomer).
The following isomers are not included, because they are listed in the Annex as of 7/9/19:
|
fixed list | 5 | 6 | |
cobalt compounds that release cobalt ions in vivo | complete | 10/31/17 | This compound group has not yet been assigned a structural definition. |
fixed list | 15 | 0 |
Compounds Potentially Degrading to PFOS | incomplete | List extracted from Annex 1 of Dossier prepared in support for a nomination of PFOS to the UN-ECE LRTAP Protocol and the Stockholm Convention The dossier is prepared by the Swedish Chemicals Inspectorate (KemI) and the Swedish EPA, Sweden August 2004 |
fixed list | 107 | 15 | |
Cyclocyloxanes - Biomonitoring CA | complete | This group is populated from the list at https://biomonitoring.ca.gov/chemicals |
fixed list | 4 | 2 | |
Di- and triether of alkanediols and -triols (C3-C8, linear and branched) with epichlorohydrin (content of free epichlorohydrin < 20 ppm, not characterized as H351 or H350) | complete | 06/17/19 | fixed list | 16 | 0 | |
Dicresyl phosphates - Biomonitoring CA | incomplete | This group is populated from the list at https://biomonitoring.ca.gov/chemicals |
fixed list | 0 | 1 | |
Diglycidyl ethers of p,p´-bisphenols - Biomonitoring CA | incomplete | This group is populated from the list at https://biomonitoring.ca.gov/chemicals |
fixed list | 0 | 2 | |
Diisocyanates (TRI Category) | 03/09/21 | This compound group was populated using a list of chemicals that are reportable under the MA Toxics Use Reduction Act (TURA). See https://www.mass.gov/guides/massdep-toxics-use-reduction-program#-listed-chemicals- for more information. |
fixed list | 24 | 7 | |
Dioxin and Dioxin-like Compounds (TRI Category) | 03/09/21 | This compound group was populated using a list of chemicals that are reportable under the MA Toxics Use Reduction Act (TURA). See https://www.mass.gov/guides/massdep-toxics-use-reduction-program#-listed-chemicals- for more information. |
fixed list | 17 | 19 | |
Endosulfan Isomers | complete | This compound group was populated from the Stockholm POPs Convention decision http://chm.pops.int/TheConvention/ThePOPs/TheNewPOPs/tabid/2511/Default.aspx | fixed list | 2 | 3 | |
Halogenated Solvents | complete | 08/17/23 | This compound group is populated by selecting halogenated solvents (excluding salts) from GSPI's Six Classes of Problematic Chemicals - Some Solvents List. |
fixed list | 973 | 5 |
HBCDD ISOMERS (REACH LIST) | complete | This compound group is defined by a list in the Annex XIV of REACH ("Authorisation List") available at https://echa.europa.eu/web/guest/addressing-chemicals-of-concern/authorisation/recommendation-for-inclusion-in-the-authorisation-list/authorisation-list | fixed list | 8 | 7 | |
Heterocyclic Amines (Selected, US NTP) | incomplete | This list is populated from https://ntp.niehs.nih.gov/pubhealth/roc/listings/h/heterocyclic/summary/index.html: 2-Amino-3,4-dimethylimidazo [4,5-f]quinoline (MeIQ) - CASRN 77094-11-2 |
fixed list | 3 | 0 | |
Hexabromocyclodecane (TRI Category) | 03/09/21 | This compound group was populated using a list of chemicals that are reportable under the MA Toxics Use Reduction Act (TURA). See https://www.mass.gov/guides/massdep-toxics-use-reduction-program#-listed-chemicals- for more information. |
fixed list | 4 | 2 | |
Hydrofluorocarbons (HFCs) in Google's MRSL | complete | 02/12/21 | This compound group was populated from the Google Manufacturing Restricted Substances Specification (v1.0) (TTD_3549)
|
fixed list | 19 | 1 |
Hydrogen cyanide (HCN) and cyanide salts (CN salts) | incomplete | This compound group is populated by the 5 CASRN listed in the US EPA IRIS review Hydrogen Cyanide and Cyanide Salts (CASRN Various) at https://cfpub.epa.gov/ncea/iris/iris_documents/documents/subst/0060.htm. This IRIS document is reference 5 in the Prop 65 listing at https://oehha.ca.gov/media/downloads/proposition-65/chemicals/032213cnisormadl.pdf |
fixed list | 5 | 15 | |
Iron Oxides (MAK list of 4) | complete | This compound group is populated from the MAK list. |
fixed list | 5 | 1 | |
mecoprop-P and its salts | in progress | 06/23/23 | ECHA defined chemical group |
fixed list | 1 | 4 |
Metal salts of 2-ethylhexanoic acid | complete | 05/22/23 | ECHA defined chemical group |
fixed list | 9 | 4 |
National Health and Nutrition Examination Survey (NHANES) Chemical List | complete | 07/27/20 | This list was copied from https://comptox.epa.gov/dashboard/chemical_lists/NHANES2019 |
fixed list | 516 | 0 |
Nickel Compounds, Soluble (MAK list) | complete | This compound group has been populated using subgroups listed by MAK Commission of Germany. |
fixed list | 11 | 29 |