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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
Perfluorooctane Sulfonates (PFOS) and PFOS salts 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 28 2
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
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 20
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
Nonphenol Ethoxylates (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 205 36
Nonphenols (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 9 31
Polycyclic Aromatic 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 31 7
Diisocyanates incomplete 03/26/21

This compound group is from the C2C V4 RSL.

25 6
Crude and refined coal tars complete 04/01/21

This compound group was populated from existing compound groups for the Cradle to Cradle (C2C) RSL.

48 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
1,2-benzenedicarboxylic acid, di-C6-10-alkyl esters or mixed decyl and hexyl and octyl diesters complete 02/27/23

with ≥ 0.3% of dihexyl phthalate (EC No. 201-559-5)

ECHA chemical group parent

2 7
1,6,7,8,9,14,15,16,17,17,18,18-Dodecachloropentacyclo[12.2.1.16,9.02,13.05,10]octadeca-7,15-diene (“Dechlorane Plus”™) complete 02/27/23

covering any of its individual anti- and syn-isomers or any combination thereof

ECHA chemical group parent

11 5
2-(4-tert-butylbenzyl)propionaldehyde and its individual stereoisomers complete 02/27/23

ECHA chemical group parent

2 6
2,2-bis(bromomethyl)propane-1,3-diol (BMP); 2,2-dimethylpropan-1-ol, tribromo derivative/3-bromo-2,2-bis(bromomethyl)-1-propanol (TBNPA); 2,3-dibromo-1-propanol (2,3-DBPA) complete 02/27/23

ECHA chemical group parent

6 5
4-heptylphenol, branched and linear complete 02/27/23

substances with a linear and/or branched alkyl chain with a carbon number of 7 covalently bound predominantly in position 4 to phenol, covering also UVCB- and well-defined substances which include any of the individual isomers or a combination thereof

ECHA chemical group parent

other 25 7
4-Nonylphenol, branched and linear, ethoxylated - ECHA complete 02/27/23

substances with a linear and/or branched alkyl chain with a carbon number of 9 covalently bound in position 4 to phenol, ethoxylated covering UVCB- and well-defined substances, polymers and homologues, which include any of the individual isomers and/or combinations thereof

ECHA chemical group parent

229 40
5-sec-butyl-2-(2,4-dimethylcyclohex-3-en-1-yl)-5-methyl-1,3-dioxane [1], 5-sec-butyl-2-(4,6-dimethylcyclohex-3-en-1-yl)-5-methyl-1,3-dioxane [2] complete 02/27/23

full chemical name: 5-sec-butyl-2-(2,4-dimethylcyclohex-3-en-1-yl)-5-methyl-1,3-dioxane [1], 5-sec-butyl-2-(4,6-dimethylcyclohex-3-en-1-yl)-5-methyl-1,3-dioxane [2]

ECHA chemical group parent

16 9
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

ECHA chemical group parent

3 6
dioctyltin dilaurate; stannane, dioctyl-, bis(coco acyloxy) derivs. (ECHA defined) complete 02/27/23

ECHA chemical group parent

2 6
Hexabromocyclododecane (HBCDD) complete 02/27/23

Hexabromocyclododecane (HBCDD) and all major diastereoisomers identified

7 19
Medium-chain chlorinated paraffins (MCCP) complete 02/27/23

UVCB substances consisting of more than or equal to 80% linear chloroalkanes with carbon chain lengths within the range from C14 to C17

ECHA chemical group parent

4 14
Nonadecafluorodecanoic acid (PFDA) and its sodium and ammonium salts complete 02/27/23

ECHA chemical group parent

3 5
Orthoboric acid, sodium salt (group) complete 02/27/23

ECHA chemical group parent

6 5
Perfluorohexanesulfonic acid and its salts (PFHxS) complete 02/27/23

ECHA chemical group parent

37 24
PFNA, Perfluorononan-1-oic-acid and its sodium and ammonium salts complete 02/27/23

ECHA chemical group parent

other 3 6
Phenol, alkylation products (mainly in para position) with C12-rich branched alkyl chains from oligomerisation, covering any individual isomers and/ or combinations thereof (PDDP) complete 02/27/23

full name: Phenol, alkylation products (mainly in para position) with C12-rich branched alkyl chains from oligomerisation, covering any individual isomers and/ or combinations thereof (PDDP)

ECHA chemical group parent

7 9
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)

ECHA chemical group parent

2 7
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

9 7
4-(1,1,3,3-tetramethylbutyl)phenol, ethoxylated (ECHA defined) in progress 03/01/23

ECHA chemical group parent: covering well-defined substances and UVCB substances, polymers and homologues

51 9
4-Nonylphenol, branched and linear (ECHA defined) in progress 03/01/23

ECHA chemical group parent: substances with a linear and/or branched alkyl chain with a carbon number of 9 covalently bound in position 4 to phenol, covering also UVCB- and well-defined substances which include any of the individual isomers or a combination thereof


 

16 34
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 5
Petroleum Process Streams complete 03/10/23

EPA's Partially Exempt Petroleum Process Streams list

from EPA's Chemical Data Reporting: https://www.epa.gov/chemical-data-reporting/partially-exempt-petroleum-process-streams

fixed list 636 0
Perfluoroheptanoic acid and its salts 04/24/23

ECHA defined chemical group

4 11
halogenated monomethyldiphenylmethanes - UN Transport of Dangerous Goods complete 04/28/23 3 1
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 5
Metal salts of 2-ethylhexanoic acid complete 05/22/23

ECHA defined chemical group

fixed list 9 5
salts and esters of dinoterb - ECHA complete 05/26/23

ECHA defined chemical group

fixed list 1 15
salts of aniline - ECHA chemical group complete 05/26/23 fixed list 11 14
salts of hydrazine - ECHA complete 05/26/23

ECHA defined chemical group

fixed list 33 21
zinc chromates including zinc potassium chromate - ECHA complete 05/26/23

ECHA defined chemical group

fixed list 12 6
mecoprop-P and its salts in progress 06/23/23

ECHA defined chemical group

fixed list 1 5
Phenol, isopropylated, phosphate (3:1) - EPA PBT complete 07/12/23

EPA's background information about PBT define this compound group as a family of structures in which each of the three aryl groups have at least one isopropyl group: Tris(3-isopropylphenyl) phosphate, Tri(isopropylphenyl) phosphate, Tri(4-isopropylphenyl) phosphate

fixed list 3 1
Color Index (C.I.) Dyes complete 07/19/23

This compound group includes a list of dyes associated with the Color Index list and associated identifiers. It is mainly populated from Comptox's "LIST: Color Index (C.I.) Dyes" and a few others manually added.

functional use 2173 0
Pigments containing or manufactured with chlorine complete 07/19/23

This compound group is populated with ChemForward's inadvertent PCB (iPCB) Pigment Resources - pigments with "Yes" for "Contains Chlorine?" or a "Yes" for "Manufactured using chlorine solvent?".

fixed list 177 0
Boric Acid and its salts, Sodium borate, MIPA-Borate, MEA-Borate in progress 08/07/23

C2C v4

21 1
PFAS soluable in DMSO - EPAPFASIV complete 08/14/23

This compound group is populated from EPAPFASIV's list. EPA filtered several publicly available PFAS lists to exclude most high (>500) and low (<50) molecular weight compounds, aromatic compounds, metal-containing compounds, and chemicals with a low ratio of fluorine to carbon. The PFAS chemicals in this list are in the current inventory found to be soluble in DMSO.

fixed list 437 15
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 974 5
Organohalogen Flame Retardants - NAS OFR expanded set complete 02/12/24

This compound group is populated from "A Class Approach to Hazard Assessment of Organohalogen Flame Retardants" by National Academies of Sciences, Engineering, and Medicine. The committee identified a set of 1073 analogue compounds as "expanded set" based on combined functional, structural, and predicted bioactivity information.

The subclasses from the seed list used to expand this list are also in Pharos:

fixed list 1084 1