Bis(4-chlorophenyl) sulphone

Additional information on environmental fate and behaviour

Administrative data

Endpoint:

additional information on environmental fate and behaviour

Type of information:

(Q)SAR

Adequacy of study:

supporting study

Reliability:

3 (not reliable)

Rationale for reliability incl. deficiencies:

other: see 'Remark'

Remarks:

Genrerally a state of the art (Q)SAR screening in substance registry lists (DSL, TSCA) used to compile P&B potential substances identifiable and/or identified in environmental probes - but with regard to DCDPS the QSAR models deliver values at variance in orders of magnitude to experimental data.

Justification for type of information:

QSAR prediction: migrated from IUCLID 5.6

Data source

Reference

Reference Type:

publication

Title:

Identifying New Persistent and Bioaccumulative Organics Among Chemicals in Commerce

Author:

Howard PH & Muir DCG

Year:

2010

Bibliographic source:

Environmental Science & Technology Article ASAP, Publication Date (Web): February 17, 2010, DOI: 10.1021/es903383a

Materials and methods

Principles of method if other than guideline:

A combined list from the Canadian Domestic Substance List (DSL), a list of 3059 substances of “unknown or variable composition complex reaction products and biological materials” (UVCBs), and the U.S. Environmental Protection Agency (U.S. EPA) Toxic Substances Control Act (TSCA) Inventory Update Rule (IUR) database for years 1986, 1990, 1994, 1998, 2002, and 2006 yielding a database of 22263 commercial chemicals was assessed by estimates from U.S EPA EPI Suite software and using expert judgment.

Test material

Test material information

Constituent 1

Reference substance name:

Bis(4-chlorophenyl) sulphone

EC Number:

201-247-9

EC Name:

Bis(4-chlorophenyl) sulphone

Cas Number:

80-07-9

Molecular formula:

C12H8Cl2O2S

IUPAC Name:

1-chloro-4-(4-chlorobenzenesulfonyl)benzene

Constituent 2

Reference substance name:

1,1'-sulfonylbis(4-chlorobenzene); 1-chloro-4-(4-chlorophenyl)sulfonylbenzene

IUPAC Name:

1,1'-sulfonylbis(4-chlorobenzene); 1-chloro-4-(4-chlorophenyl)sulfonylbenzene

Results and discussion

Any other information on results incl. tables

610 chemicals were identified that might be persistent and bioaccumulative (P&B) and that were not being considered incurrent Great Lakes, North American, and Arctic contaminant measurement programs.

Applicant's summary and conclusion

Conclusions:

DCDPS is listed as example of High Priority Chemical with Persistence and Bioaccumulation Potential.

Executive summary:

The goal of this study was to identify commercial chemicals that might be persistent and bioaccumulative (P&B) and that were not being considered incurrent, North American, and Arctic contaminant measurement programs. The authors combined the Canadian Domestic Substance List (DSL), a list of 3059 substances of “unknown or variable composition complex reaction products and biological materials” (UVCBs), and the U.S. Environmental Protection Agency (U.S. EPA) Toxic Substances Control Act (TSCA) Inventory Update Rule (IUR) database for years 1986, 1990, 1994, 1998, 2002, and 2006 yielding a database of 22263 commercial chemicals. From that list, 610 chemicals were identified by estimates from U.S EPA EPI Suite software and using expert judgment. This study has yielded some chemicals considered interesting and probable P&B compounds that are pointed out for further study.

Recent studies confirming the presence of many of these chemicals in the environment are cited. Among these DCDPS is included despite a relatively low predicted BCF.

The following calculated values of DCDPS are reported: Atmospheric dissipation half life time DT50, log K_aw, log K_ow, log K_oa, and BCF. While the calculation of the atmospheric DT50 seems to be erring (see executive summary of the weight of evidence entry in section 5.1.1) and the estimated BCF is higher than the experimentally determined one (NITE 2002, section 5.3.1), the Log K_owis exactly in line with the experimental value (Boelhouwers 2006, section 4.7). Log K_awand are derived using a calculated vapour pressure / Henry constant and thus slightly different from the ones calculated on the basis of the experimental values (see Endpoint Summary of section 5.4).