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EC number: 205-055-6 | CAS number: 132-27-4
Partition coefficient
Administrative data
Link to relevant study record(s)
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- weight of evidence
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- guideline study with acceptable restrictions
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient)
- Principles of method if other than guideline:
- The test was performed with 2-phenylphenol, the nonionic form of sodium 2-biphenylate.
99.9 % 2-phenylphenol - GLP compliance:
- yes
- Type of method:
- flask method
- Partition coefficient type:
- octanol-water
- Specific details on test material used for the study:
- The test was performed with 2-phenylphenol, the nonionic form of sodium 2-phenylate.
99.89% 2-phenylphenol - Type:
- log Pow
- Partition coefficient:
- 3.18
- Temp.:
- 22.5 °C
- Remarks on result:
- other: no data on pH available
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- weight of evidence
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: GLP guideline study
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient)
- GLP compliance:
- yes
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
- Specific details on test material used for the study:
- The test was performed with 2-phenylphenol, the nonionic form of sodium 2-phenylate.
99.9% 2-phenylphenol - Type:
- log Pow
- Partition coefficient:
- 2.4
- Temp.:
- 25 °C
- pH:
- 5
- Type:
- log Pow
- Partition coefficient:
- 2.5
- Temp.:
- 25 °C
- pH:
- 7
- Type:
- log Pow
- Partition coefficient:
- 2.3
- Temp.:
- 25 °C
- pH:
- 9
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- weight of evidence
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- comparable to guideline study with acceptable restrictions
- Qualifier:
- equivalent or similar to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient - Shake Flask Method)
- Principles of method if other than guideline:
- determination of the concentration of the test substance in water phase and octanol phase after equilibration of the system
- GLP compliance:
- yes
- Type of method:
- flask method
- Partition coefficient type:
- octanol-water
- Analytical method:
- not specified
- Type:
- log Pow
- Partition coefficient:
- 2.95
- Temp.:
- 21 °C
- pH:
- 7.3
Referenceopen allclose all
The Log Pow is 3.18 , no data on pH available.
Results:
| No. | pH water phase |
Volume octanol [mL] |
Volume water [mL] |
Conc. in octanol [mg/L |
Conc. in water [*1E-03 mg/mL] |
Distribution coefficient |
| 1a | 7.3 | 5 | 245 | 1.89 | 2.0 | 945 |
| 1b | 7.3 | 5 | 245 | 1.94 | 2.0 | 970 |
| 2a | 7.4 | 10 | 240 | 0.96 | 1.0 | 960 |
| 2b | 7.3 | 10 | 240 | 0.99 | 1.0 | 990 |
| 3a | 7.3 | 20 | 230 | 0.50 | 0.6 | 833 |
| 3b | 7.4 | 20 | 230 | 0.5 | 0.6 | 833 |
distribution coefficient total mean value <p>: 900
standard deviation: 70
log <p>: 2.95
Because of the small standard deviatin there is no dependence of the distribution coefficient on concentration deducible.
Prestudy and further investigations:
In a prestudy a distribution coefficient of approx. 80 was determined starting with an aqueous stock solution of the test sample. Therefore further investigation were done beside GLP. These sutdies show that the distribution coefficient depends on the conditions applied and can vary between 900 and below 100. There is no dependence on equilibration time.
Results of further studies:
1. stock solution in water: 1.97 g/L: p = 22 -34
2. stock solution in octanol: 1.97 g/L: p = 23 - 877
Description of key information
logPow = 2.95 to 3.18 at 21 to 22.5 °C (nonionic form)
(EU Method A.8, shake flask method)
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 3.18
- at the temperature of:
- 22.5 °C
Additional information
Measurements on logPow of ionisable substances should be made in their nonionic form at a pH below the pK for a free acid or pK for a free base. The pKa value of 2-phenylphenol is pKa(acid) = 9.5.
A test with sodium 2-biphenylate was performed at pH 7.3 with result logPow = 2.95 at 21 °C. The nonionic form of sodium 2-biphenylate is 2-phenylphenol (the conjugate acid) and therefore a further test (shake flask method) was performed with 2-phenylphenol with result logPow = 3.18 at 22.5 °C.
In a further study on 2-phenylphenol by HPLC meethod according to EU Method A.8 it is shown that the log Pow value of 2-phenylphenol is not significantly influenced by the pH value when investigated at pH = 5, 7, 9 and 25 °C.
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