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Partition coefficient

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Reference
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

Determination of the artition coefficient of 1,3-bis(3-methyl-2,5-dioxo-1H-pyrrolinylmethyl)benzene between n-octanol and water

Sample  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     

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.

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