COMPOUND GROUP NAME | POPULATION STATUS | DATE POPULATED | DESCRIPTION | PROFILE TYPE | # MEMBERS | # HAZARDS |
---|---|---|---|---|---|---|
Radionuclides, alpha-particle-emitting, internally deposited | incomplete | This compound group has not yet been assigned a structural definition. |
0 | 4 | ||
Radionuclides, beta-particle-emitting, internally deposited | incomplete | This compound group has not yet been assigned a structural definition. |
0 | 4 | ||
Reaction products of 1,3,4-thiadiazolidine-2,5-dithione, formaldehyde and 4-heptylphenol, branched and linear (RP-HP) | complete | 02/27/23 | with ≥0.1% w/w 4-heptylphenol, branched and linear (4-HPbl) |
2 | 3 | |
Refractory Ceramic Fibres, Special Purpose Fibres, with the exception of those specified elsewhere in Annex XVII of Regulation (EC) No 1907/2006, [with alkaline oxide and alkali earth oxide content less or equal to 18 % by weight] | incomplete | This compound group is populated by taking the more general compound group and subtracting the chemicals found in the relevent Annex. |
3 | 11 | ||
Residual (heavy) fuel oils | incomplete | This group has not been assigned a structural definition yet. |
0 | 4 | ||
retinol/retinyl esters, when in daily dosages in excess of 10,000 iu, or 3,000 retinol equivalents | incomplete | This group has not been assigned a structural definition yet. |
0 | 4 | ||
salts of bromoxynil 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 | 8 | ||
salts of glyphosate, 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 | 1 | ||
salts of ioxynil 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. |
2 | 10 | ||
salts of oxalic acid 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. |
1 | 2 | ||
salts of thiocyanic acid, 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 | 4 | ||
selenium compounds with the exception of cadmium sulphoselenide and 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. |
3190 | 15 | ||
Silver Compounds | 1 | 1 | ||||
Sodium perborate, perboric acid, sodium salt | incomplete | 8 | 4 | |||
Soots, tars, and mineral oils (untreated and mildly treated oils and used engine oils) | incomplete | This group has not been assigned a structural definition yet. |
0 | 7 | ||
Sulfur containing perfluorocarbons with no unsaturations and with sulfur bonds only to carbon and fluorine | incomplete | This group hasn't been assigned a structural definition yet. |
0 | 14 | ||
sunscreens | 9 | 0 | ||||
Synthetic mineral fiber (except for RCF) | 2 | 4 | ||||
Tellurium compounds | incomplete | This compound group has not yet been populated. |
1 | 2 | ||
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 | 17 | ||
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 | ||
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 | 15 | ||
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 | ||
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 | |||
Toxins derived from Fusarium moniliforme (Fusarium verticillioides) | incomplete | This group has not been assigned a structural definition yet. |
0 | 2 | ||
trialkylamines, trialkanolamines and their salts | 6 | 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 | ||
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 | ||
tris(branched and linear 4-nonylphenyl) phosphite [with ≥ 0.1% w/w of branched and linear 4-nonylphenol] | complete | 02/27/23 | 0 | 5 | ||
Vanadium and compounds, unless water solubility < 4 g Vanadium/l | complete | 5 | 1 | |||
Vanadium Compounds | 253 | 1 | ||||
water soluble zinc salts | 7 | 0 | ||||
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. |
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 | ||
ALUMINUM COMPOUNDS | in progress | This compound group is populated from some of the aluminum compounds in Pharos. The AOEC listing is applied to the specific chemicals listed in their database rather than the entire group. |
element | 101 | 5 | |
Antimony Compounds | complete | 06/06/18 | This compound group is defined by the SMILES string '[Sb]'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. |
element | 976 | 22 |
ARSENIC COMPOUNDS | in progress | This compound group is defined by the SMILES string '[As]'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. | element | 2343 | 36 | |
BARIUM COMPOUNDS | in progress | This compound group is defined by the SMILES string '[Ba]'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. | element | 73 | 6 | |
BERYLLIUM COMPOUNDS | in progress | This compound group is defined by the SMILES string '[Be]'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. This definition is based on the scope of the IARC listing, most recently in monograph 100C: "Synonyms and molecular formulae for beryllium, beryllium–aluminium and beryllium– copper alloys, and certain beryllium compounds are presented in Table 1.1. The list is not exhaustive, nor does it comprise necessarily the most commercially important beryllium-containing substances; rather, it indicates the range of beryllium compounds available." |
element | 140 | 17 | |
BORON COMPOUNDS | incomplete | This compound group is defined by the SMILES string '[B]'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. | element | 246 | 4 | |
CADMIUM COMPOUNDS | in progress | This compound group is defined by the SMILES string '[Cd]'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. | element | 498 | 48 | |
Cerium Compounds | complete | 07/31/18 | This compound group is defined by the SMILES string '[Ce]'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. |
element | 349 | 1 |
CHROMIUM (III) COMPOUNDS | complete | 11/17/17 | This compound group is defined by the SMILES string '[Cr+3]'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. | element | 376 | 8 |
Chromium Compounds | incomplete | This compound group is defined by the SMILES string '[Cr]'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. |
element | 528 | 4 | |
COBALT COMPOUNDS | complete | This compound group is defined by the SMILES/SMARTS string "[Co]" 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. |
element | 1654 | 23 | |
Copper compounds | incomplete | This compound group is populated with copper metal, and a limited number of copper salts and alloys. |
element | 7 | 5 | |
Germanium Compounds | complete | 08/09/18 | This compound group is defined by the SMILES string '[Ge]'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. |
element | 1206 | 1 |
Gold salts | complete | 04/01/21 | This compound group was populated using a substructure search of PubChem using the SMILES string [Au]. |
element | 495 | 1 |
Hafnium compounds | in progress | This compound group is defined by the SMILES string '[Hf]'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. | element | 1 | 0 | |
LEAD COMPOUNDS | in progress | This compound group is defined by the SMILES string '[Pb]'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. | element | 1143 | 49 | |
Manganese Compounds | complete | 08/09/18 | This compound group is defined by the SMILES string '[Mn]'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. |
element | 614 | 5 |
MERCURY COMPOUNDS | in progress | This compound group is defined by the SMILES string '[Hg]'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. | element | 1481 | 43 | |
Molybdenum Compounds | complete | 08/09/18 | This compound group is defined by the SMILES string '[Mo]'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. |
element | 391 | 4 |
NICKEL COMPOUNDS | in progress | This compound group is defined by the SMILES string '[Ni]'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. | element | 1128 | 27 | |
ORGANOTIN COMPOUNDS | in progress | This compound group is defined by the SMILES string 'C[Sn]'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. | element | 918 | 13 | |
SELENIUM COMPOUNDS | complete | 08/15/16 | This compound group is defined by the SMILES string '[Se]'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. | element | 3204 | 10 |
Strontium compounds | incomplete | This compound group is defined by the SMILES string '[Sr]'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. |
element | 0 | 3 | |
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 |
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 | |
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 | |
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 | |
(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silanetriol and any of its mono-, di- or tri-O-(alkyl) derivatives | incomplete | This compound group has not yet been assigned a structural definition. |
structure | 0 | 3 | |
(R)-1-(2-Piperidyl)acetone | incomplete | This compound group has not yet been assigned a structural definition. | structure | 1 | 1 | |
1-Methoxy-2,4-diaminobenzene and its salts | incomplete | This compound group has not yet been assigned a structural definition. | structure | 1 | 1 | |
1-Octanesulfonamide, heptadecafluorinated compounds and salts | incomplete | This compound group is defined by the SMILES string 'C(C(C(C(C(F)(F)S(=O)(=O)N)(F)F)(F)F)(F)F)(C(C(C(F)(F)F)(F)F)(F)F)(F)F'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. |
structure | 14 | 0 | |
11-α-Hydroxypregn-4-ene-3,20-dione and its esters | incomplete | This compound group has not yet been assigned a structural definition. | structure | 1 | 1 | |
2-(4-Allyl-2-methoxyphenoxy)-N,N-diethylacetamide and its salts | incomplete | This compound group has not yet been assigned a structural definition. | structure | 1 | 1 | |
2-Methylheptylamine and its salts | incomplete | This compound group has not yet been assigned a structural definition. | structure | 1 | 1 | |
2-naphthylamine salts | complete | This compound group is defined by a substructure search of PubChem the SMILES/SMARTS string "[CH1]2=[CH1][CH1]=C1[CH1]=C([CH1]=[CH1]C1=[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 | 8 | 10 | |
2,4-Diaminophenylethanol and its salts | incomplete | This compound group has not yet been assigned a structural definition. | structure | 1 | 1 | |
2,4,5-T salts and esters | incomplete | This compound group is defined by the SMILES string 'C1=C(C(=CC(=C1Cl)Cl)Cl)OCC(=O)O'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. |
structure | 5 | 7 | |
2,7-Naphthalenedisulfonic acids (and salts of) | incomplete | This compound group is defined by the SMILES string 'C1=CC(=CC2=C1C=CC(=C2)S(=O)(=O)O)S(=O)(=O)O'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. |
structure | 594 | 0 | |
4-Ethoxy-m-phenylenediamine and its salts | incomplete | This compound group has not yet been assigned a structural definition. | structure | 1 | 1 | |
4-Methoxy-m-phenylenediamine and its sulfate salts | incomplete | This compound group has not yet been assigned a structural definition. | structure | 1 | 1 | |
4-Methyl-m-phenylenediamine and its salts | incomplete | This compound group has not yet been assigned a structural definition. | structure | 1 | 1 | |
4,4'-Methylenedianiline, 4,4'-Diaminodiphenylmethane (MDA) | incomplete | This compound group is defined by the SMILES string 'C1=CC(=CC=C1CC2=CC=C(C=C2)N)N'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. |
structure | 3 | 0 | |
Acetylcholine and its salts, (2-Acetoxyethyl)trimethylammonium hydroxide | incomplete | This compound group has not yet been assigned a structural definition. | structure | 1 | 1 | |
ACRYLATES | complete | 08/14/19 | This compound group is defined by the SMILES/SMARTS string 'OC(=O)[CD2]=[CD1]' and limited to compounds with a molecular weight < 200 Da. The molecular weight cutoff is arbitrary, but is intended to capture the bulk of the compounds with potential to be used commercially / as monomers without including an overwhelming number of compounds. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. |
structure | 434 | 3 |
alkali salts and alkali earth salts of thiocyanic acid | incomplete | This compound group has not yet been assigned a structural definition. |
structure | 1 | 0 | |
Alkylpyrrolidones | incomplete | This compound group has not yet been assigned a structural definition. |
structure | 7 | 0 | |
Alloclamide and its salts | incomplete | This compound group has not yet been assigned a structural definition. | structure | 1 | 1 | |
Aluminium zirconium chloride hydroxide glycine complexes | incomplete | This compound group has not yet been assigned a structural definition. | structure | 1 | 1 | |
Amitriptyline and its salts | incomplete | This compound group has not yet been assigned a structural definition. | structure | 1 | 1 | |
Amylocaine and its salts | incomplete | This compound group has not yet been assigned a structural definition. |
structure | 1 | 1 | |
Antimony Compounds, Organic | complete | 06/06/18 | This compound group is defined by the SMILES string 'C[Sb]'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. |
structure | 239 | 22 |
Apomorphine and its salts | incomplete | This compound group has not yet been assigned a structural definition. | structure | 1 | 1 | |
Arsenic Acid Salts | complete | 08/15/16 | This compound group is defined by the SMILES/SMARTS string "[OD1][As](=[OD1])([OD1])[OD1]" 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 | 154 | 46 |
ARSENIC COMPOUNDS, ORGANIC | complete | 08/15/16 | This compound group is defined by the SMILES string 'C[As]'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. | structure | 1616 | 36 |
Azacyclonol and its salts | incomplete | This compound group has not yet been assigned a structural definition. | structure | 1 | 1 | |
Bendroflumethiazide and its derivatives | incomplete | This compound group has not yet been assigned a structural definition. | structure | 1 | 1 | |
Benzatropine and its salts | incomplete | This compound group has not yet been assigned a structural definition. | structure | 1 | 1 | |
BENZIDINE SALTS | in progress | This compound group is defined by the SMILES string '[CH]1=[CH][C](=[CH][CH]=C1C2=[CH][CH]=[C]([CH]=[CH]2)[ND1])[ND1]'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. |
structure | 39 | 12 | |
Betoxycaine and its salts | incomplete | This compound group has not yet been assigned a structural definition. | structure | 1 | 1 | |
Biphenamine and its salts, 2-Diethylaminoethyl 3-hydroxy-4-phenylbenzoate | incomplete | This compound group has not yet been assigned a structural definition. | structure | 1 | 1 | |
Brominated Organic Compounds | incomplete | This compound group is defined by the SMILES string 'C[Br]'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. | structure | 962 | 6 | |
Bromoxynil salts | incomplete | This compound group is defined by the SMILES string 'C1=C(C=C(C(=C1Br)O)Br)C#N'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. |
structure | 1 | 0 | |
Brompheniramine and its salts | incomplete | This compound group has not yet been assigned a structural definition. | structure | 1 | 1 | |
Butanilicaine and its salts | incomplete | This compound group has not yet been assigned a structural definition. | structure | 1 | 1 | |
Butopiprine and its salts | incomplete | This compound group has not yet been assigned a structural definition. | structure | 1 | 1 |