Registration Dossier
Registration Dossier
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EC number: 201-853-3 | CAS number: 88-72-2
Partition coefficient
Administrative data
Link to relevant study record(s)
- Endpoint:
- partition coefficient
- Type of information:
- other: no data, not clear if experimental study or calculation method.
- Adequacy of study:
- weight of evidence
- Reliability:
- 4 (not assignable)
- Rationale for reliability incl. deficiencies:
- data from handbook or collection of data
- 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 of data
- GLP compliance:
- not specified
- Partition coefficient type:
- octanol-water
- Type:
- log Pow
- Partition coefficient:
- 2.3
- Remarks on result:
- other: Temperature and pH value were not reported.
- Executive summary:
Merck Index, 2006
The logPow of 2-nitrotoluene is reported as 2.3. Temperature and pH value were not reported. It is not clear if the obtained value was measured or calculated.
- 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
- 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 of data
- GLP compliance:
- not specified
- Partition coefficient type:
- octanol-water
- Type:
- log Pow
- Partition coefficient:
- 2.3
- Remarks on result:
- other: Temperature and pH value were not reported.
- Executive summary:
HSDB 2009 (Hansch C et al., 1995)
The measured logPow of 2-nitrotoluene is reported as 2.3. Temperature and pH value were not reported.
Referenceopen allclose all
It is not clear if the obtained value was measured or calculated.
This value is designated as the preferred value measured as or converted to the neutral form.
Description of key information
The individual study reports (data from handbooks or collection of data) 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 2-nitrotoluene was determined in a series of studies and found to be 2.3.
HSDB 2009 (Hansch C et al., 1995)
The measured logPow of 2-nitrotoluene is reported as 2.3. Temperature and pH value were not reported.
Merck Index, 2006
The logPow of 2-nitrotoluene is reported as 2.3. Temperature and pH value were not reported. It is not clear if the obtained value was measured or calculated.
These values are further supported by an EPIWIN calculation (KOWWIN v. 1.67, 2006):
The logPow of 2-nitrotoluene was calculated as 2.36. The results are derived from a QSAR model with limited documentation.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 2.3
Additional information
Temperature and pH value were not reported or are not available for calculated logKow values.
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