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Partition coefficient

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Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Study period:
1995
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: GLP status not known, information from a published handbook, acceptable with restrictions.
Principles of method if other than guideline:
The use of secondary sources of data is acceptable when they are based on a critical evaluation of peer-reviewed data and a consequent selection of a reliable and representative value for the property under investigation. The introduction to Exploring QSAR, Hydrophobic, Electronic and Steric Constants states that it is an extensive compilation of published data. Each record is evaluated and the preferred value is identified for each substance. Therefore, although the method used is not known, the values presented here are acceptable as they are from a reliable secondary source of phys chem. data.
GLP compliance:
not specified
Type of method:
other: not reported
Partition coefficient type:
octanol-water
Specific details on test material used for the study:
N/A
Key result
Type:
log Pow
Partition coefficient:
3.15
Temp.:
20 °C
pH:
7
Remarks on result:
other: The pH and temperature not stated so assumed standard.
Details on results:
No data reported

N/A

Conclusions:
The log pow of ethylbenzene is 3.15
Executive summary:

This information is taken from a reliable peer reviewed handbook and so can be considered reliable and suitable for use for this endpoint.

Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Study period:
Up to 1995
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: GLP status not known, information from a published handbook, acceptable with restrictions.
Principles of method if other than guideline:
The use of secondary sources of data is acceptable when they are based on a critical evaluation of peer-reviewed data and a consequent selection of a reliable and representative value for the property under investigation. The introduction to Exploring QSAR, Hydrophobic, Electronic and Steric Constants states that it is an extensive compilation of published data. Each record is evaluated and the preferred value is identified for each substance. Therefore, although the method used is not known, the values presented here are acceptable as they are from a reliable secondary source of phys chem. data.
GLP compliance:
not specified
Type of method:
other: not reported
Partition coefficient type:
octanol-water
Specific details on test material used for the study:
N/A
Key result
Type:
log Pow
Partition coefficient:
3.2
Temp.:
20 °C
pH:
7
Remarks on result:
other: Temperature and pH not stated so assumed standard.
Details on results:
Data not reported.

N/A

Conclusions:
The log Pow of m-xylene is 3.2.
Executive summary:

This information is taken from a reliable peer reviewed handbook and so can be considered reliable and suitable for use as the key study for this endpoint.

Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Study period:
Up to 1995
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: GLP status not known, guideline not known, information from published handbook, acceptable with restrictions
Principles of method if other than guideline:
The use of secondary sources of data is acceptable when they are based on a critical evaluation of peer-reviewed data and a consequent selection of a reliable and representative value for the property under investigation. The introduction to Exploring QSAR, Hydrophobic, Electronic and Steric Constants states that it is an extensive compilation of published data. Each record is evaluated and the preferred value is identified for each substance. Therefore, although the method used is not known, the values presented here are acceptable as they are from a reliable secondary source of phys chem. data.
GLP compliance:
not specified
Type of method:
other: not reported
Partition coefficient type:
octanol-water
Specific details on test material used for the study:
N/A
Key result
Type:
log Pow
Partition coefficient:
3.12
Temp.:
20 °C
pH:
7
Remarks on result:
other: Temperature and pH not stated so assumed standard.
Details on results:
Data not reported.

N/A

Conclusions:
The log Pow of o-xylene is 3.12.
Executive summary:

This information is taken from a reliable peer reviewed handbook and so can be considered reliable and suitable for use as the key study for this endpoint.

Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Study period:
Up to 1995
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: GLP status not known, information from a published handbook, acceptable with restrictions.
Principles of method if other than guideline:
The use of secondary sources of data is acceptable when they are based on a critical evaluation of peer-reviewed data and a consequent selection of a reliable and representative value for the property under investigation. The introduction to Exploring QSAR, Hydrophobic, Electronic and Steric Constants states that it is an extensive compilation of published data. Each record is evaluated and the preferred value is identified for each substance. Therefore, although the method used is not known, the values presented here are acceptable as they are from a reliable secondary source of phys chem. data.
GLP compliance:
not specified
Type of method:
other: not reported
Partition coefficient type:
octanol-water
Specific details on test material used for the study:
N/A
Key result
Type:
log Pow
Partition coefficient:
3.15
Temp.:
20 °C
pH:
7
Remarks on result:
other: Temperature and pH not stated so assumed standard.
Details on results:
Data not reported.

N/A

N/A
Conclusions:
The log Pow of p-xylene is 3.15.
Executive summary:

This information is taken from a reliable peer reviewed handbook and so can be considered reliable and suitable for use as the key study for this endpoint.

Description of key information

The log kow of the xylene isomers and ethylbenzene ranges from 3.12 to 3.2. The log kow of m-xylene was reported as 3.2, for o-xylene as 3.12, for p-xylene the log kow is 3.15, and for ethylbenzene the log Kow is 3.15. The mean value of 3.155 will be used for the risk assessment.

Key value for chemical safety assessment

Log Kow (Log Pow):
3.155
at the temperature of:
20 °C

Additional information

Hansch et al (1995) is a peer reviewed handbook and so can be considered reliable and suitable for use as the key study for this endpoint.

The data are supported by results from the CRC Handbook (Lide 2008) which give partition coefficients for m-xylene, o-xylene, p-xylene and ethylbenzene of 3.2, 3.12, 3.15 and 3.15 respectively. The data are also supported from another review article (Leo et al 1971), which give partition coefficients for m-xylene, o-xylene, p-xylene and ethylbenzene of 3.2, 2.77, 3.15 and 3.15 respectively.