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EC number: 202-728-6 | CAS number: 99-08-1
Water solubility
Administrative data
Link to relevant study record(s)
- Endpoint:
- water solubility
- 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:
- Only secondary literature
- 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:
- Beilstein database
- GLP compliance:
- not specified
- Type of method:
- other: not specified
- Specific details on test material used for the study:
- - Analytical purity: not specified
- Water solubility:
- 0.45 g/L
- Temp.:
- 10 °C
- Remarks on result:
- other: The corresponding pH value was not reported.
- Water solubility:
- 0.491 g/L
- Temp.:
- 20 °C
- Remarks on result:
- other: The corresponding pH value was not reported.
- Water solubility:
- 0.534 g/L
- Temp.:
- 30 °C
- Remarks on result:
- other: The corresponding pH value was not reported.
- Executive summary:
Beilstein, 2009
The following values were reported for the water solubility of 3-nitrotoluene at different temperatures (the corresponding pH values were not reported):
0.45 g/L (450 mg/L) at 10 °C
0.491 g/L (491 mg/L) at 20 °C
0.534 g/L (534 mg/L) at 30 °C
- Endpoint:
- water solubility
- 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
- Type of method:
- other: not specified
- Specific details on test material used for the study:
- - Name of test material (as cited in study report): m-(meta)Nitrotoluene, 3-Nitrotoluene
- Analytical purity: no data - Water solubility:
- 0.05 vol%
- Remarks on result:
- other: Temperature and pH values are not reported.
- Executive summary:
NIOSH (National Institute for Occupational Safety and Health), 2005
The water solubility of 3-nitrotoluene was reported as 0.05 vol%. Temperature and pH values were not reported.
- Endpoint:
- water solubility
- 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
- Type of method:
- other: not specified
- Specific details on test material used for the study:
- - Analytical purity: not specified
- Water solubility:
- 498 mg/L
- Temp.:
- 30 °C
- Remarks on result:
- other: the corresponding pH value was not reported
- Executive summary:
Merck Index, 2006- 2008
The water solubility of 3-nitrotoluene is 498 mg/L at 30 °C. The corresponding pH value was not reported.
- Endpoint:
- water solubility
- 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
- Type of method:
- other: not specified
- Specific details on test material used for the study:
- - Name of test material (as cited in study report): m-(meta)Nitrotoluene, 3-Nitrotoluene
- Analytical purity: no data - Water solubility:
- 0.419 g/L
- Temp.:
- 20 °C
- Remarks on result:
- other: The pH value was not reported.
- Details on results:
- = 419 mg/L
- Executive summary:
Hommel, G., 1997
The water solubility of 3-nitrotoluene is 0.419 g/L (i.e. 419 mg/l) at 20 °C. The corresponding pH value was not reported.
- Endpoint:
- water solubility
- 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
- Type of method:
- other: not specified
- Specific details on test material used for the study:
- - Analytical purity: not specified
- Water solubility:
- 0.05 other: g/100 g water
- Temp.:
- 30 °C
- Remarks on result:
- other: pH value was not reported
- Details on results:
- = 500 mg/L
- Executive summary:
Dugal, M. (Kirk-Othmer), 2005
The water solubility of 3-nitrotoluene is 0.05 g in 100 g of water (i.e. 500 mg/l) at 30 °C. The corresponding pH value was not reported.
- Endpoint:
- water solubility
- 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.
- Principles of method if other than guideline:
- flask method, measured via HPLC
- GLP compliance:
- not specified
- Type of method:
- flask method
- Water solubility:
- 0.419 g/L
- Temp.:
- 20 °C
- Remarks on result:
- other: The pH value was not reported.
- Details on results:
- Stable: yes
Degradation products: no - Executive summary:
Bayer, 1987
The water solubility of 3-nitrotoluene was determined using the flask method with HPLC-analysis (stirring 3-4 days, mean value of 4 measurements) as 419 mg/L at 20 °C. No pH value was reported.
Referenceopen allclose all
pH not reported
pH not reported
pH value was not reported
pH value was not reported
Description of key information
The individual study reports (experimental studies, 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 water solubility of 3-nitrotoluene was determined in a series of studies at different temperatures and found to be in the range of 419-534 mg/L.
Bayer, 1987
The water solubility of 3-nitrotoluene was determined using the flask method with HPLC-analysis (stirring 3-4 days, mean value of 4 measurements) as 419 mg/L at 20 °C. No pH value was reported.
Dugal, M. (Kirk-Othmer), 2005
The water solubility of 3-nitrotoluene is 0.05 g in 100 g of water (i.e. 500 mg/l) at 30 °C. The corresponding pH value was not reported.
Hommel, G., 1997
The water solubility of 3-nitrotoluene is 0.419 g/L (i.e. 419 mg/l) at 20 °C. The corresponding pH value was not reported.
Merck Index, 2006- 2008
The water solubility of 3-nitrotoluene is 498 mg/L at 30 °C. The corresponding pH value was not reported.
NIOSH (National Institute for Occupational Safety and Health), 2005
The water solubility of 3-nitrotoluene was reported as 0.05 vol%. Temperature and pH values were not reported.
Beilstein, 2009
The following values were reported for the water solubility of 3-nitrotoluene at different temperatures (the corresponding pH values were not reported):
0.45 g/L (450 mg/L) at 10 °C
0.491 g/L (491 mg/L) at 20 °C
0.534 g/L (534 mg/L) at 30 °C
The water solubility of 419 mg/L at 20 °C (reported by two individual sources) was chosen as key value for chemical saftey assessment.
Key value for chemical safety assessment
- Water solubility:
- 419 mg/L
- at the temperature of:
- 20 °C
Additional information
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