4-nitrotoluene

Water solubility

Link to relevant study record(s)

Reference

Reference 1

Endpoint:

water solubility

Type of information:

experimental study

Adequacy of study:

weight of evidence

Reliability:

4 (not assignable)

Rationale for reliability incl. deficiencies:

other: Original reference 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:

no data

GLP compliance:

not specified

Water solubility:

442 mg/L

Temp.:

30 °C

Remarks on result:

other: The pH value was not reported

Executive summary:

Verschueren, 1996

The water solubility of 4-nitrotoluene is 422 mg/L at 30 °C. The corresponding pH value was not reported.

Reference 2

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:

no data

GLP compliance:

not specified

Water solubility:

0.419 g/L

Temp.:

20 °C

Remarks on result:

other: The pH value was not reported

Executive summary:

Hommel, G., 1997

The water solubility of 4-nitrotoluene is 0.419 g/L (i.e. 419 mg/l) at 20 °C. The corresponding pH value was not reported.

Reference 3

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

Water solubility:

442 mg/L

Temp.:

30 °C

Remarks on result:

other: pH value was not reported

Executive summary:

Merck Index, 2006

The water solubility of 4-nitrotoluene is 442 mg/L at 30 °C. The corresponding pH value was not reported.

Reference 4

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

Water solubility:

0.44 g/L

Temp.:

30 °C

Remarks on result:

other: The pH value was not reported

Value as cited in the literature: 0.044% at 30 °C.

pH value was not reported.

Executive summary:

Ullmann's, 2005

The water solubility of 4-nitrotoluene is 0.44 g/L (value as cited in the literature: 0.044% at 30 °C) at 30 °C. The corresponding pH value was not reported.

Reference 5

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

Remarks:

Study meets generally accepted scientific principles, adopted according to OECD SIDS

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, analysis via HPLC

GLP compliance:

not specified

Water solubility:

0.345 g/L

Temp.:

20 °C

Remarks on result:

other: pH value was not reported

Executive summary:

Bayer, 1987

The water solubility of 4-nitrotoluene was determined in an experimental study (flask method, stirring for 3-4 days, analysis via HPLC) as 345 mg/l at 20 °C. The corresponing 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 4-nitrotoluene was determined in a series of studies at different temperatures and found to be in the range of 345-440 mg/L (at 20 or 30 °C).

Bayer, 1987: The water solubility of 4-nitrotoluene was determined in an experimental study (flask method, stirring for 3-4 days, analysis via HPLC) as 345 mg/L at 20 °C. The corresponing pH value was not reported.

Ullmann's, 2005: The water solubility of 4-nitrotoluene is 0.44 g/L (440 mg/L; value as cited in the literature: 0.044% at 30 °C) at 30 °C. The corresponding pH value was not reported.

Merck Index, 2006: The water solubility of 4-nitrotoluene is 442 mg/L at 30 °C. The corresponding pH value was not reported.

Hommel, G., 1997: The water solubility of 4-nitrotoluene is 0.419 g/L (i.e. 419 mg/L) at 20 °C. The corresponding pH value was not reported.

Verschueren, 1996: The water solubility of 4-nitrotoluene is 422 mg/L at 30 °C. The corresponding pH value was not reported.

The water solubility of 345 mg/L at 20 °C (most details on the experimental method were reported) was chosen as key value for chemical saftey assessment.

Key value for chemical safety assessment

Water solubility:

345 mg/L

at the temperature of:

20 °C