Registration Dossier
Registration Dossier
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EC number: 412-570-1 | CAS number: 119462-56-5 PERKALINK 900
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:
- October 1992 - January 1993
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
- Deviations:
- no
- Qualifier:
- equivalent or similar to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient)
- 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:
- 2.22
- Temp.:
- 20 °C
- pH:
- 6.9 - 7.56
- Conclusions:
- The partition coefficient of 1,3-bis(3-methyl-2,5-dioxo-1H-pyrrolinylmethyl)benzene was determined at log Kow of 2.22 at 20 °C.
- Executive summary:
The partition coefficient of 1,3-bis(3-methyl-2,5-dioxo-1H-pyrrolinylmethyl)benzene was determined according to OECD guideline, EU method A.8 and showed a value of a log Kow of 2.22 at 20 °C.
Reference
Determination of the artition coefficient of 1,3-bis(3-methyl-2,5-dioxo-1H-pyrrolinylmethyl)benzene between n-octanol and water
| Sample | 1 | 2 | 3 | 4 | 5 | 6 |
| n-octanol volume (mL) | 20 | 20 | 20 | 20 | 20 | 20 |
| Substance in n-octanol (µg/mL) | 259.9 | 250.4 | 242.7 | 249.2 | 246.2 | 244.3 |
| Total substance in n-octanol (µg) | 5198 | 5008 | 4854 | 4984 | 8924 | 4866 |
| Water volume (mL) | 20 | 20 | 40 | 40 | 80 | 80 |
| Substance in water (µg/mL) | 0.5 | 1.4 | 1.4 | 1.6 | 1.3 | 1.7 |
| Total substance in water (µg) | 12 | 28 | 56 | 64 | 104 | 136 |
| Total substance added (µg) | 5300 | 5300 | 5300 | 5300 | 5300 | 5300 |
| Total substance recovered (µg) | 5210 | 5036 | 4910 | 5048 | 5028 | 5022 |
| pH of water phase after partition | 7.56 | 7.04 | 7.13 | 6.94 | 7.27 | 6.90 |
| Kow | 433.2 | 178.9 | 173.4 | 155.8 | 189.4 | 143.7 |
| log Kow | 2.64* | 2.25 | 2.24 | 2.19 | 2.28 | 2.16 |
| *omitted from mean, aqueous concentration anomalously low | ||||||
| Mean log Kow = 2.22 ± 0.05; equivalent Kow = 167 | ||||||
Description of key information
The partition coefficient of 1,3-bis(3-methyl-2,5-dioxo-1H-pyrrolinylmethyl)benzene was determined at log Kow of 2.22 at 20 °C.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 2.22
- at the temperature of:
- 20 °C
Additional information
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