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EC number: 216-032-5 | CAS number: 1477-55-0
Partition coefficient
Administrative data
Link to relevant study record(s)
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- Duration of study 2000-01-25 and 2000-02-16
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- other: GLP guideline study
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- other: Chemical Substances Control Law of Japan (Yakuhatsu No. 291 and 62 Kikyoku No. 171 - JCCL (March 24, 1987))
- Deviations:
- no
- GLP compliance:
- yes
- Type of method:
- shake-flask method to: flask method
- Partition coefficient type:
- octanol-water
- Analytical method:
- high-performance liquid chromatography
- Type:
- log Pow
- Partition coefficient:
- ca. 0.18
- Temp.:
- 25 °C
- pH:
- >= 10.3 - <= 10.4
- Details on results:
- The dissociation constant of the test substance was found to be 9.19. Therefore, the value obtained by subtracting the dissociation constant from pH of the aqueous layer was 1.7 or less under all three of the determination conditions. This indicates that the test substance dissociates and that application of the partition coefficient test is inappropriate. No environmental factors influencing the reliability of the study findings were identified.
- Conclusions:
- Log Pow was found to be approximately 0.18 at 25 degrees Centigrade and a pH of approximately 10.3. However, the test substance was thought to dissociate and application of the partition coefficient test was considered inappropriate.
- Endpoint:
- partition coefficient
- Type of information:
- (Q)SAR
- Adequacy of study:
- supporting study
- Study period:
- 2010-04-21
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: Meets generally accepted scientific standards, well documented and acceptable for assessment
- Justification for type of information:
- QSAR prediction: migrated from IUCLID 5.6
- Principles of method if other than guideline:
- KOWWIN v1.67 accessed via Epiweb v.4.0
- GLP compliance:
- no
- Type of method:
- other: Prediction
- Partition coefficient type:
- octanol-water
- Type:
- log Pow
- Partition coefficient:
- 0.15
- Conclusions:
- According to ECHA's Guidance on information requirements and chemical safety assessment
Chapter R.11: PBT Assessment, organic substances with a log Kow value below 4.5 are assumed to have an affinity for the lipids of an organism, whichis insufficient to exceed the criterion for bioaccumulation of 2000 L/kg.
Referenceopen allclose all
The following results were obtained during determination of the partition coefficient:
|
Pow = Co/Cw |
P = Log Pow |
|||
Value found |
Mean |
Overall mean |
|||
Determination Condition 1 |
a |
1.41 |
0.15 |
0.19 |
0.18 SD = 0.03 Max difference = 0.08 |
b |
1.71 |
0.23 |
|||
Determination Condition 2 |
a |
1.43 |
0.16 |
0.15 |
|
b |
1.42 |
0.15 |
|||
Determination Condition 3 |
a |
1.59 |
0.20 |
0.20 |
|
b |
1.55 |
0.19 |
|||
The following results were obtained during determination of pH in the aqueous layer:
|
Value found |
|
Sample (a) |
Sample (b) |
|
Determination Condition 1 |
10.4 |
10.4 |
Determination Condition 2 |
10.3 |
10.3 |
Determination Condition 3 |
10.3 |
10.3 |
Description of key information
GLP guideline study reporting Log Pow to be approximately 0.18 at 25 °C and a pH of approximately 10.3 (OECD 107).
Log Kow predicted to be 0.15 using KOWWIN version 1.67 accessed via Epiweb v4.0.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 0.18
- at the temperature of:
- 25 °C
Additional information
The test substance was thought to dissociate and application of the experimental partition coefficient test was considered inappropriate. However, a predicted log Kow supports the conclusion that the substance has a low potential for bioaccumulation since, according to ECHA's Guidance on information requirements and chemical safety assessment Chapter R.11: PBT Assessment, organic substances with a log Kow value below 4.5 are assumed to have an affinity for the lipids of an organism insufficient to exceed the criterion for bioaccumulation of 2000 L/kg.
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