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EC number: 606-744-8 | CAS number: 213464-77-8
Partition coefficient
Administrative data
Link to relevant study record(s)
- Endpoint:
- partition coefficient
- Remarks:
- Woolley, Mullee (2002b) IIA 02/13
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 5 August 2002 to 16 August 2002
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient - HPLC Method)
- Qualifier:
- according to guideline
- Guideline:
- EPA OPPTS 830.7570 (Partition Coefficient, n-octanol / H2O, Estimation by Liquid Chromatography)
- Deviations:
- no
- GLP compliance:
- yes
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
- Specific details on test material used for the study:
- IR5878 Analytical standard
99.65% pure
Batch number G 032/02
Received 23 July 2002
Stored cold at approximately 4C in the dark - Analytical method:
- high-performance liquid chromatography
- Key result
- Type:
- log Pow
- Partition coefficient:
- ca. 2.02
- Temp.:
- 20 °C
- pH:
- ca. 4
- Key result
- Type:
- log Pow
- Partition coefficient:
- ca. 1.31
- Temp.:
- 20 °C
- pH:
- ca. 7
- Key result
- Type:
- log Pow
- Partition coefficient:
- < 0.3
- Temp.:
- 20 °C
- pH:
- ca. 9
- Conclusions:
- Partition coefficient
The partition coefficient (including effect of pH) has been determined using the HPLC method. The results indicate that pH has a significant effect on partition coefficient.
HPLC method
pH=4 Log(P) = 2.02
pH=7 Log(P) = 1.31
pH=9 Log(P) = < 0.3
Substances having a log10Pow greater than 3 are regarded as having the potential to bioaccumulate in the environment, these results are significantly lower than 3 at all pH levels tested. - Executive summary:
Partition coefficient
The partition coefficient (including effect of pH) has been determined using the HPLC method. The results indicate that pH has a significant effect on partition coefficient.
HPLC method
pH=4 Log(P) = 2.02
pH=7 Log(P) = 1.31
pH=9 Log(P) = < 0.3
Substances having a log10Pow greater than 3 are regarded as having the potential to bioaccumulate in the environment, these results are significantly lower than 3 at all pH levels tested.
Reference
Description of key information
Partition coefficient
The partition coefficient (including effect of pH) has been determined using the HPLC method. The results indicate that pH has a significant effect on partition coefficient.
HPLC method
pH=4 Log(P) = 2.02
pH=7 Log(P) = 1.31
pH=9 Log(P) = < 0.3
Substances having a log10 Pow greater than 3 are regarded as having the potential to bioaccumulate in the environment, these results are significantly lower than 3 at all pH levels tested.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 1.31
- at the temperature of:
- 20 °C
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