COMPOUND GROUP NAME | POPULATION STATUS | DATE POPULATED | DESCRIPTION | PROFILE TYPE | # MEMBERS | # HAZARDS |
---|---|---|---|---|---|---|
Hexahydromethylphthalic anhydride and its isomers | incomplete | This compound group is defined by the SMILES string 'C1CCC2C(C1)C(=O)OC2=O'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. This isomer group populated from SIN List 2.1 | other | 5 | 0 | |
Hexahydromethylphthalic anhydride (EHCA defined) | in progress | 03/01/23 | ECHA chemical group parent: including cis- and trans- stereo isomeric forms and all possible combinations of the isomers |
4 | 4 | |
hexachloroplatinates 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 | 7 | ||
hexachloroplatinates | incomplete | This compound group has not yet been assigned a structural definition. |
structure | 1 | 1 | |
HEXACHLOROCYCLOHEXANE ISOMERS | in progress | This compound group should include additional isomers. We're starting with 1,2,3,4,5,6 hexaclorocyclohexane isomers, which can be represented by the SMILES string C1(C(C(C(C(C1(Cl)[H])(Cl)[H])(Cl)[H])(Cl)[H])(Cl)[H])(Cl)[H]. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. |
structure | 6 | 7 | |
Hexabromocyclododecane (HBCDD) | complete | 02/27/23 | Hexabromocyclododecane (HBCDD) and all major diastereoisomers identified |
7 | 17 | |
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 | |
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 | |
HBCDD / HBCD isomers | complete | This compound group is defined by the SMILES/SMARTS string "C1CC(C(CCC(C(CCC(C1Br)Br)Br)Br)Br)Br" 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 | 32 | 11 | |
HBCD ISOMERS (US EPA TRI PBTs) | incomplete | This compound group has not yet been assigned a structural definition. |
5 | 1 | ||
HALONS GROUP | incomplete | This compound group has not yet been assigned a structural definition. | other | 11 | 0 | |
Halogenated Solvents - City of Portland, OR | complete | 05/17/17 | Includes chemicals from https://www.portlandoregon.gov/water/article/28482 1-Chlorobutane (CAS 109-69-3) added by suggestion of GreenSeal citing https://pubchem.ncbi.nlm.nih.gov/compound/1-Chlorobutane#section=Use-Classification |
functional use | 88 | 5 |
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 |
HALOGENATED ORGANIC COMPOUNDS | incomplete | This compound group is defined by the SMILES string 'C[F,Cl,Br,I]'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. |
structure | 16965 | 3 | |
halogenated monomethyldiphenylmethanes - UN Transport of Dangerous Goods | complete | 04/28/23 | 3 | 1 | ||
Halogenated Flame Retardants (HFRs) | incomplete | 05/01/19 | This compound group is populated by its subgroups, including a National Academies of Science report "A Class Approach to Hazard Assessment of Organohalogen Flame Retardants (2019)" available at https://www.nap.edu/catalog/25412/a-class-approach-to-hazard-assessment-of-organohalogen-flame-retardants |
functional use | 430 | 10 |
Halogenated diaryl alkanes | incomplete | 4 | 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 | |
Guanethidine and its salts | incomplete | This compound group has not yet been assigned a structural definition. | structure | 1 | 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 |
Gold compounds, inorganic | in progress | This compound group is defined by the SMILES string '[Au]' 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 | 0 | 1 | |
Glymes | incomplete | This compound group is defined by the SMILES string 'COCCOC'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. |
other | 6 | 0 | |
Glycol ethers acetate | incomplete | This compound group has not yet been assigned a structural definition. | other | 2 | 0 | |
GLYCOL ETHERS | incomplete | This compound group has not yet been assigned a structural definition. | other | 3479 | 4 | |
Glycidyl ethers | incomplete | This compound group has not yet been assigned a structural definition. The SMILES string "COCC1CO1" captures all glycidyl ethers but is not specific enough as the only filter. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. |
other | 2 | 2 | |
Glutethimide and its salts | incomplete | This compound group has not yet been assigned a structural definition. | structure | 1 | 1 | |
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 |
Gasoline (automotive, refined, processed, recovered, and other unspecified fractions) | incomplete | This compound group has not yet been assigned a structural definition. | other | 8 | 0 | |
Gases (petroleum), refined, and recovered Refinery gasses | incomplete | This compound group has not yet been assigned a structural definition. | other | 88 | 0 | |
Gas oils (petroleum), treated fractions | incomplete | This compound group has not yet been assigned a structural definition. | other | 15 | 0 | |
Gas oils (oil sand) (and hydrotreated) | incomplete | This compound group has not yet been assigned a structural definition. | other | 2 | 0 | |
FURANS | incomplete | This compound group is defined by the SMILES string 'C1=COC=C1'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. |
other | 0 | 1 | |
Fuel oils, high-sulfur, Heavy Fuel oil, (and other residual oils) | incomplete | This compound group has not yet been assigned a structural definition. | other | 6 | 0 | |
Fuel gases | incomplete | This compound group has not yet been assigned a structural definition. | other | 15 | 1 | |
Formaldehyde Donors | complete | 05/29/20 | This compound group is populated from a list of chemicals in an ECHA Investigation Report - Formaldehyde and Formaldehyde Releasers as well as manual searches. Report downloaded from https://echa.europa.eu/documents/10162/13641/annex_xv_report_formaldehyde_en.pdf/58be2f0a-7ca7-264d-a594-da5051a1c74b 149-44-0 (Sodium formaldehyde sulfoxylate) was added based on suggestion by GreenSeal, citing https://pubchem.ncbi.nlm.nih.gov/compound/Sodium-hydroxymethanesulfinate and https://www.fishersci.com/store/msds?partNumber=AC149190250&productDescription=SODIUM+FORMALDEHYDESULFO+25KG&vendorId=VN00032119&countryCode=US&language=en |
functional use | 187 | 1 |
Formaldehyde compounds, Urea formaldehyde based | incomplete | This compound group was populated with chemicals in Pharos with both "urea" and "formaldehyde" in the name. |
other | 164 | 5 | |
Formaldehyde compounds and polymers | complete | 09/11/18 | This compound group was populated by searching ChemIDplus for all compounds whose name contained "formaldehyde". Additionally, it contains the compounds in its subgroups. |
other | 1165 | 2 |
Formaldehyde based binders | incomplete | This compound group has not yet been assigned a structural definition. | functional use | 398 | 3 | |
Foots oil (petroleum) and other treated and untreated Foots oil | incomplete | This compound group has not yet been assigned a structural definition. | other | 6 | 0 | |
Fluorotelomer-related compounds | incomplete | This group was populated from the OECD's Comprehensive Global Database of Per- and Polyfluoroalkyl Substances (PFASs) at http://www.oecd.org/chemicalsafety/portal-perfluorinated-chemicals/. |
1874 | 12 | ||
fluorosilicates, 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 | 1 | ||
fluorosilicates | incomplete | This compound group has not yet been assigned a structural definition. |
other | 2 | 0 | |
Fluoropolymers | incomplete | This group was populated from the OECD's Comprehensive Global Database of Per- and Polyfluoroalkyl Substances (PFASs) at http://www.oecd.org/chemicalsafety/portal-perfluorinated-chemicals/. |
269 | 12 | ||
Fluoroaceticacid, salts | incomplete | This compound group has not yet been assigned a structural definition. |
other | 0 | 2 | |
fluoroacetates, soluble | incomplete | This compound group has not yet been assigned a structural definition. |
other | 0 | 2 | |
Fluorinated Organic Compounds | incomplete | This compound group is defined by the SMILES string 'C[F]'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. | structure | 11690 | 3 | |
Fluorides | incomplete | This compound group has not yet been assigned a structural definition. | other | 2 | 0 | |
Fluoride compounds, Inorganic | in progress | This compound group is defined by the SMILES string '[F]' 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 | 46 | 2 | |
Flame Retardants, non-halogenated, non-organophosphorous | incomplete | This group includes minerals, amines, and inorganic phosphates |
functional use | 82 | 5 | |
Flame Retardants | incomplete | This compound group is populated by its subgroups and literature searches for flame retardants. Please contact support@pharosproject.net with any suggestions or additions. |
functional use | 1860 | 1 | |
Fatty alcohols, saturated, with even-numbered C-chain, number of C-atoms >=16, with terminating OH-group | complete | 39 | 0 | |||
Fatty acid dialkylamides and dialkanolamides | 2 | 0 | ||||
Extracts (petroleum) and realted distillates and unspecified fractions | incomplete | This compound group has not yet been assigned a structural definition. | other | 26 | 0 | |
Extract residues (coal), and other fractions and distillation residues | incomplete | This compound group has not yet been assigned a structural definition. | other | 15 | 0 | |
Extract oils (coal), coal-tar residual pyrolysis oils, and other distillate fractions, residues | incomplete | This compound group has not yet been assigned a structural definition. | other | 10 | 0 | |
ethylenediammonium O,O-bis(octyl) phosphorodithioate, mixed isomers | incomplete | This compound group has not yet been assigned a structural definition. |
other | 0 | 4 | |
ETHYLENEBISDITHIOCARBAMIC ACID, SALTS AND ESTERS | 7 | 1 | ||||
Ethylene amines | incomplete | This compound group is defined by the SMILES string 'C(CN)N'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. |
other | 12 | 1 | |
Ethoheptazine and its salts | incomplete | This compound group has not yet been assigned a structural definition. | structure | 1 | 1 | |
Ethanol, 2,2'-iminobis-, reaction products with epichlorohydrin and 2-nitro-1,4-benzenediamine (HC Blue No. 5) and its salts | incomplete | This compound group has not yet been assigned a structural definition. | structure | 2 | 1 | |
Estrogens, steroidal | incomplete | This group has not been assigned a structural definition yet. |
0 | 4 | ||
esters of mecoprop and of mecoprop-P | incomplete | This compound group has not yet been assigned a structural definition. |
other | 0 | 5 | |
esters of 2,4-D | incomplete | This compound group has not yet been assigned a structural definition. |
other | 0 | 5 | |
Eserine and its salts | incomplete | This compound group has not yet been assigned a structural definition. | structure | 1 | 1 | |
Erionite | incomplete | This compound group has not yet been assigned a structural definition. | other | 3 | 0 | |
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 | |
Endocrine Disruptors - Apple RSL | complete | This compound group is populated from Apple's Regulated Substances Specification |
fixed list | 13 | 1 | |
Emetine, its salts and derivatives | incomplete | This compound group has not yet been assigned a structural definition. | structure | 1 | 1 | |
Doxylamine and its salts | incomplete | This compound group has not yet been assigned a structural definition. | structure | 1 | 1 | |
Dodecyl phenols | incomplete | Populated from Swedish EPA http://webapps.kemi.se/flodesanalyser/ |
other | 8 | 4 | |
Dithiocarbamates | incomplete | This compound group is defined by the SMARTS string 'C(=[SD1])([ND1])[SD1]'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. |
other | 0 | 1 | |
Diphenyltin derivatives | complete | 07/26/18 | This compound group is defined by the SMILES string '[CH]1=[CH][CH]=C([CH]=[CH]1)[Sn](C2=[CH][CH]=[CH][CH]=[CH]2)'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. |
structure | 153 | 19 |
Diphenylpyraline and its salts | incomplete | This compound group has not yet been assigned a structural definition. | structure | 1 | 1 | |
Diphenhydramine and its salts | incomplete | This compound group has not yet been assigned a structural definition. | structure | 1 | 1 | |
DIOXINS & DIOXIN-LIKE COMPOUNDS | incomplete | This compound group has not yet been assigned a structural definition. |
other | 22 | 13 | |
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 | |
Dioxethedrin and its salts | incomplete | This compound group has not yet been assigned a structural definition. | structure | 1 | 1 | |
dioctyltin dilaurate; stannane, dioctyl-, bis(coco acyloxy) derivs. (ECHA defined) | complete | 02/27/23 | 2 | 5 | ||
Dioctyltin dilaurate, stannane, dioctyl-, bis(coco acyloxy) derivs., and any other stannane, dioctyl-, bis(fatty acyloxy) derivs. wherein C12 is the predominant carbon number of the fatty acyloxy moiety | complete | 02/27/23 | 3 | 5 | ||
Dioctyltin compounds | in progress | This compound group is defined by the SMILES string 'CCCCCCCC[Sn]CCCCCCCC'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. |
structure | 12 | 21 | |
Dinoterb salts and esters | complete | This compound group is defined by a substructure search of PubChem the SMILES/SMARTS string "[CH3]C([CH3])([CH3])C1=[CH1]C(=[CH1]C(=C1[OD1])[N+](=O)[O-])[N+](=O)[O-] plus [CH3]C([CH3])([CH3])C1=[CH1]C(=[CH1]C(=C1OC(=O)C)[N+](=O)[O-])[N+](=O)[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 | 7 | 9 | |
Dinoseb salts and esters | incomplete | This compound group is defined by the SMILES string 'CCC(C)C1=CC(=CC(=C1O)[N+](=O)[O-])[N+](=O)[O-]'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. |
structure | 10 | 1 | |
Dinitrotoluenes | incomplete | This compound group has not yet been assigned a structural definition. | other | 15 | 1 | |
Dinitrophenols | incomplete | This compound group has not yet been assigned a structural definition. | other | 9 | 1 | |
Dinitronaphthalene isomers | incomplete | This compound group has not yet been assigned a structural definition. | other | 0 | 1 | |
Dinitrobenzene isomers | incomplete | This compound group has not yet been assigned a structural definition. | other | 8 | 1 | |
Dinitro-ortho-cresol (DNOC), salts | in progress | This compound group is defined by the SMILES string '[CH3]C1=[CH]C(=[CH]C(=C1[OH])[N+](=O)[O-])[N+](=O)[O-]'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. |
other | 0 | 10 | |
Dinitro-ortho-cresol (DNOC) salts | incomplete | This compound group is defined by the SMILES string 'CC1=C(C=C(C=C1O)[N+](=O)[O-])[N+](=O)[O-]'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. | 3 | 1 | ||
Dimevamide and its salts | incomplete | This compound group has not yet been assigned a structural definition. | structure | 1 | 1 | |
Dimethyltin derivatives | complete | 07/26/18 | This compound group is defined by the SMILES string '[CH3][Sn]([CH3])', then subtracting compounds with 3+ methyl ligands. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. |
structure | 276 | 17 |
Dimethylphenols | incomplete | This compound group has not yet been assigned a structural definition. | other | 0 | 0 | |
Dimethylarsenic acids | complete | This compound group is defined by the SMILES string '[CH3][As](=O)([CH3])O'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. |
structure | 18 | 39 | |
Dimethyl phthalate and metabolite | incomplete | This compound group has not yet been assigned a structural definition. | other | 4 | 0 | |
Diisononyl phthalate (DINP) compounds | incomplete | This compound group has not yet been assigned a structural definition. |
other | 9 | 16 | |
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 | |
Diisocyanates | incomplete | 03/26/21 | This compound group is from the C2C V4 RSL. |
25 | 6 | |
Diisobutyl phthalate and metabolite | incomplete | This compound group has not yet been assigned a structural definition. | other | 1 | 0 | |
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 | |
Diethyl phthalate and metabolite | incomplete | This compound group has not yet been assigned a structural definition. | other | 2 | 0 | |
Diethyl hexyl phthalate and metabolites | complete | This compound group has not yet been assigned a structural definition. | other | 12 | 0 |