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Physical & Chemical properties

Partition coefficient

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Endpoint:
partition coefficient
Type of information:
not specified
Adequacy of study:
weight of evidence
Reliability:
4 (not assignable)
Rationale for reliability incl. deficiencies:
data from handbook or collection of data
Remarks:
Original report not available
Justification for type of information:
Due to insufficient reporting of the experimental details, this study was rated with a Klimisch score of 4 (‘not assignable’). As none of the available studies can serve as a key study with a sufficiently detailed reporting justifying a Klimisch score of 1 or 2 for the given endpoint, several independent sources were used in a weight of evidence approach. The combined data from handbooks or collection of data provide experimental values in a similar range, supporting the reliability of the result.
Principles of method if other than guideline:
secondary peer reviewed scoure, valid collection af data
GLP compliance:
not specified
Type of method:
other: no data
Partition coefficient type:
other: no data
Specific details on test material used for the study:
analytical purity: not specified
Type:
log Pow
Partition coefficient:
3.92
Remarks on result:
other: Temperature and pH value were not reported.
Type:
log Pow
Partition coefficient:
3.98
Remarks on result:
other: Temperature and pH value were not reported.
Executive summary:

William/ Meylan, 1993


The logPow of 1,2,4-trichlorobenzene is reported as 3.92 and 3.98. Temperature and pH value were not reported.

Endpoint:
partition coefficient
Type of information:
calculation (if not (Q)SAR)
Adequacy of study:
weight of evidence
Reliability:
4 (not assignable)
Rationale for reliability incl. deficiencies:
documentation insufficient for assessment
Remarks:
Original report not available
Justification for type of information:
Due to insufficient reporting of the experimental details, this study was rated with a Klimisch score of 4 (‘not assignable’). As none of the available studies can serve as a key study with a sufficiently detailed reporting justifying a Klimisch score of 1 or 2 for the given endpoint, several independent sources were used in a weight of evidence approach. The combined data from handbooks or collection of data provide experimental values in a similar range, supporting the reliability of the result.
Principles of method if other than guideline:
secondary peer reviewed scoure, valid collection af data
GLP compliance:
not specified
Type of method:
other: no data
Partition coefficient type:
other: no data
Specific details on test material used for the study:
analytical purity: not specified
Type:
log Pow
Partition coefficient:
4.161
Remarks on result:
other: Temperature and pH value were not reported.

estimated by calculation

Executive summary:

Leo, 1991


The estimated by calculation logPow of 1,2,4-trichlorobenzene is reported as 4.161. Temperature and pH value were not reported.

Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
weight of evidence
Reliability:
4 (not assignable)
Rationale for reliability incl. deficiencies:
other: Acceptable, well documented publication which meets basic scientific principles. Adopted according to EU Risk Assessment (public available peer reviewed source).
Justification for type of information:
Due to insufficient reporting of the experimental details, this study was rated with a Klimisch score of 4 (‘not assignable’). As none of the available studies can serve as a key study with a sufficiently detailed reporting justifying a Klimisch score of 1 or 2 for the given endpoint, several independent sources were used in a weight of evidence approach. The combined data from handbooks or collection of data provide experimental values in a similar range, supporting the reliability of the result.
Qualifier:
equivalent or similar to guideline
Guideline:
OECD Guideline 123 (Partition Coefficient (1-Octanol / Water), Slow-Stirring Method)
Deviations:
yes
Remarks:
: following values were not reported: Exact volumes of 1-octanol and water, exact volumes of the samples, exact concentrations of the test substance in water and octanol, number of replicates, concentrations as function of time.
GLP compliance:
not specified
Type of method:
other: slow-stirring method
Partition coefficient type:
octanol-water
Analytical method:
other: GC or HPLC
Type:
log Pow
Partition coefficient:
4.05
Temp.:
25 °C
Remarks on result:
other: No further data on pH value.
Details on results:
log Pow: 4.050 +/- 0.018
Executive summary:

de Bruijn J, 1989


Octanol/water partition coefficient for 1,2,4-trichlorobenzene was determined with the "slow-stirring" method similiar to OECD 123.


log Pow of 1,2,4-trichlorobenzene: 4.050 +/- 0.018 at 25°C.

Endpoint:
partition coefficient
Type of information:
not specified
Adequacy of study:
weight of evidence
Reliability:
4 (not assignable)
Rationale for reliability incl. deficiencies:
data from handbook or collection of data
Remarks:
Original report not available
Justification for type of information:
Due to insufficient reporting of the experimental details, this study was rated with a Klimisch score of 4 (‘not assignable’). As none of the available studies can serve as a key study with a sufficiently detailed reporting justifying a Klimisch score of 1 or 2 for the given endpoint, several independent sources were used in a weight of evidence approach. The combined data from handbooks or collection of data provide experimental values in a similar range, supporting the reliability of the result.
Principles of method if other than guideline:
secondary peer reviewed scoure, valid collection af data
GLP compliance:
not specified
Type of method:
other: no data
Partition coefficient type:
other: no data
Specific details on test material used for the study:
analytical purity: not specified
Type:
log Pow
Partition coefficient:
4.22
Remarks on result:
other: Temperature and pH value were not reported.
Executive summary:

DeKock, 1987


The logPow of 1,2,4-trichlorobenzene is reported as 4.22. Temperature and pH value were not reported.

Endpoint:
partition coefficient
Type of information:
calculation (if not (Q)SAR)
Adequacy of study:
weight of evidence
Reliability:
4 (not assignable)
Rationale for reliability incl. deficiencies:
documentation insufficient for assessment
Remarks:
Original report not available
Justification for type of information:
Due to insufficient reporting of the experimental details, this study was rated with a Klimisch score of 4 (‘not assignable’). As none of the available studies can serve as a key study with a sufficiently detailed reporting justifying a Klimisch score of 1 or 2 for the given endpoint, several independent sources were used in a weight of evidence approach. The combined data from handbooks or collection of data provide experimental values in a similar range, supporting the reliability of the result.
Principles of method if other than guideline:
calculated: MACCS (fragment-addition method)
GLP compliance:
not specified
Type of method:
calculation method (fragments)
Partition coefficient type:
other: no data
Type:
log Pow
Partition coefficient:
4.28
Remarks on result:
other: Temperature and pH value were not reported.
Details on results:
estimated by calculation
Executive summary:

Eadsforth, 1986


The measured logPow of 1,2,4-trichlorobenzene is reported as 4.28. Temperature and pH value were not reported.

Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
weight of evidence
Reliability:
4 (not assignable)
Rationale for reliability incl. deficiencies:
documentation insufficient for assessment
Justification for type of information:
Due to insufficient reporting of the experimental details, this study was rated with a Klimisch score of 4 (‘not assignable’). As none of the available studies can serve as a key study with a sufficiently detailed reporting justifying a Klimisch score of 1 or 2 for the given endpoint, several independent sources were used in a weight of evidence approach. The combined data from handbooks or collection of data provide experimental values in a similar range, supporting the reliability of the result.
Qualifier:
equivalent or similar to guideline
Guideline:
OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
Deviations:
yes
Remarks:
: volume of the octanol-water-system 40 ml instead of 200 ml; 14C-analysis
Principles of method if other than guideline:
secondary peer reviewed scoure, valid collection af data
GLP compliance:
not specified
Type of method:
shake-flask method to: flask method
Partition coefficient type:
octanol-water
Specific details on test material used for the study:
analytical purity: not specified
Type:
log Pow
Partition coefficient:
3.63
Temp.:
20 °C
Remarks on result:
other: The pH was not reported.

temperature: 20 - 22°C

Executive summary:

Korte, 1986


The measured logPow with the flask method (OECD 107) of 1,2,4-trichlorobenzene is reported as 3.63 at 20 °C. The pH value was not reported.

Endpoint:
partition coefficient
Type of information:
not specified
Adequacy of study:
other information
Reliability:
4 (not assignable)
Rationale for reliability incl. deficiencies:
data from handbook or collection of data
Remarks:
Original report not available
Justification for type of information:
Due to insufficient reporting of the experimental details, this study was rated with a Klimisch score of 4 (‘not assignable’). As none of the available studies can serve as a key study with a sufficiently detailed reporting justifying a Klimisch score of 1 or 2 for the given endpoint, several independent sources were used in a weight of evidence approach. The combined data from handbooks or collection of data provide experimental values in a similar range, supporting the reliability of the result.
Principles of method if other than guideline:
secondary peer reviewed scoure, valid collection af data
GLP compliance:
not specified
Type of method:
other: no data
Partition coefficient type:
other: no data
Specific details on test material used for the study:
analytical purity: not specified
Type:
log Pow
Partition coefficient:
2.33
Remarks on result:
other: Temperature and pH value were not reported.
Executive summary:

UBA, 1984


The measured logPow of 1,2,4-trichlorobenzene is reported as 2.33. Temperature and pH value were not reported.

Endpoint:
partition coefficient
Type of information:
calculation (if not (Q)SAR)
Adequacy of study:
weight of evidence
Reliability:
4 (not assignable)
Rationale for reliability incl. deficiencies:
data from handbook or collection of data
Remarks:
Original report not available
Justification for type of information:
Due to insufficient reporting of the experimental details, this study was rated with a Klimisch score of 4 (‘not assignable’). As none of the available studies can serve as a key study with a sufficiently detailed reporting justifying a Klimisch score of 1 or 2 for the given endpoint, several independent sources were used in a weight of evidence approach. The combined data from handbooks or collection of data provide experimental values in a similar range, supporting the reliability of the result.
Principles of method if other than guideline:
secondary peer reviewed source, valid collection af data
GLP compliance:
not specified
Type of method:
other: no data
Partition coefficient type:
octanol-water
Type:
log Pow
Partition coefficient:
4.26
Remarks on result:
other: Temperature and pH value were not reported.
Executive summary:

UBA, 1984


The calculated logPow of 1,2,4-trichlorobenzene is reported as 4.26. Temperature and pH value were not reported.

Endpoint:
partition coefficient
Type of information:
not specified
Adequacy of study:
weight of evidence
Reliability:
4 (not assignable)
Rationale for reliability incl. deficiencies:
data from handbook or collection of data
Remarks:
Original report not available
Justification for type of information:
Due to insufficient reporting of the experimental details, this study was rated with a Klimisch score of 4 (‘not assignable’). As none of the available studies can serve as a key study with a sufficiently detailed reporting justifying a Klimisch score of 1 or 2 for the given endpoint, several independent sources were used in a weight of evidence approach. The combined data from handbooks or collection of data provide experimental values in a similar range, supporting the reliability of the result.
Principles of method if other than guideline:
secondary peer reviewed scoure, valid collection af data
GLP compliance:
not specified
Type of method:
other: no data
Partition coefficient type:
other: no data
Specific details on test material used for the study:
analytical purity: not specified
Type:
log Pow
Partition coefficient:
4.21
Remarks on result:
other: Temperature and pH value were not reported.
Executive summary:

Hoshikawa, 1983


The logPow of 1,2,4-trichlorobenzene is reported as 4.21. Temperature and pH value were not reported.

Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
weight of evidence
Reliability:
4 (not assignable)
Rationale for reliability incl. deficiencies:
data from handbook or collection of data
Remarks:
Original report not available
Justification for type of information:
Due to insufficient reporting of the experimental details, this study was rated with a Klimisch score of 4 (‘not assignable’). As none of the available studies can serve as a key study with a sufficiently detailed reporting justifying a Klimisch score of 1 or 2 for the given endpoint, several independent sources were used in a weight of evidence approach. The combined data from handbooks or collection of data provide experimental values in a similar range, supporting the reliability of the result.
Principles of method if other than guideline:
secondary peer reviewed scoure, valid collection af data
GLP compliance:
not specified
Type of method:
other: no data
Partition coefficient type:
other: no data
Specific details on test material used for the study:
analytical purity: not specified
Type:
log Pow
Partition coefficient:
4.23
Remarks on result:
other: Temperature and pH value were not reported.
Executive summary:

Hooftman, 1982


The measured logPow of 1,2,4-trichlorobenzene is reported as 4.23. Temperature and pH value were not reported.

Endpoint:
partition coefficient
Type of information:
not specified
Adequacy of study:
weight of evidence
Reliability:
4 (not assignable)
Rationale for reliability incl. deficiencies:
documentation insufficient for assessment
Remarks:
Original report not available
Justification for type of information:
Due to insufficient reporting of the experimental details, this study was rated with a Klimisch score of 4 (‘not assignable’). As none of the available studies can serve as a key study with a sufficiently detailed reporting justifying a Klimisch score of 1 or 2 for the given endpoint, several independent sources were used in a weight of evidence approach. The combined data from handbooks or collection of data provide experimental values in a similar range, supporting the reliability of the result.
Principles of method if other than guideline:
secondary peer reviewed scoure, valid collection af data
GLP compliance:
not specified
Type of method:
other: no data
Partition coefficient type:
other: no data
Specific details on test material used for the study:
analytical purity: not specified
Type:
log Pow
Partition coefficient:
4.12
Remarks on result:
other: Temperature and pH value were not reported.
Executive summary:

Koenemann, 1979


The estimated logPow of 1,2,4-trichlorobenzene is reported as 4.12. Temperature and pH value were not reported.

Description of key information

The individual study reports (data from handbooks or collection of data and (QSAR)calculations) show some deficiencies with respect to the comprehensiveness of the experimental details. Therefore, a reliability of 1 or 2 and thus adequacy as key study was not assignable for any of the individual studies. Consequently, the studies were assigned a Klimisch score of 4 (according to guidance document R.4, ‘not assignable: studies or data […] which are only listed in short abstracts or secondary literature (books, reviews, etc.)). As the individual studies report values are in a similar range, collectively, these studies can be used to conclude on this endpoint and to satisfy the information requirement.


 


The partition coefficient of 1,2,4-trichlorobenzene was determined in a series of experimental studies and calculations and found to be in the range of 2.33-4.28.


The logKow of 4.28 was chosen as key value for chemical safety assessment (worst case approach). 


 


William/ Meylan, 1993
The logPow of 1,2,4-trichlorobenzene is reported as 3.92 and 3.98. Temperature and pH value were not reported.



Leo, 1991
The estimated by calculation logPow of 1,2,4-trichlorobenzene is reported as 4.161. Temperature and pH value were not reported.



de Bruijn J, 1989
Octanol/water partition coefficient for 1,2,4-trichlorobenzene was determined with the "slow-stirring" method similiar to OECD 123. log Pow of 1,2,4-trichlorobenzene: 4.050 +/- 0.018 at 25°C.



DeKock, 1987
The measured logPow of 1,2,4-trichlorobenzene is reported as 4.22. Temperature and pH value were not reported.



Eadsforth, 1986
The measured logPow of 1,2,4-trichlorobenzene is reported as 4.28. Temperature and pH value were not reported.



Korte, 1986
The measured logPow with the flask method (OECD 107) of 1,2,4-trichlorobenzene is reported as 3.63 at 20 °C. The pH value was not reported.



UBA, 1984
The measured logPow of 1,2,4-trichlorobenzene is reported as 2.33. Temperature and pH value were not reported.



UBA, 1984
The calculated logPow of 1,2,4-trichlorobenzene is reported as 4.26. Temperature and pH value were not reported.



Hoshikawa, 1983
The logPow of 1,2,4-trichlorobenzene is reported as 4.21. Temperature and pH value were not reported.



Hooftman, 1982
The measured logPow of 1,2,4-trichlorobenzene is reported as 4.23. Temperature and pH value were not reported.



Koenemann, 1979
The estimated logPow of 1,2,4-trichlorobenzene is reported as 4.12. Temperature and pH value were not reported.

Key value for chemical safety assessment

Log Kow (Log Pow):
4.28

Additional information

pH and temperature were not reported