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Partition coefficient

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Reference
Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Justification for type of information:
The study was performed on the primary hydrolysis product of BPA-DA, 4,4-Bisphenol A Tetra-Acid (BPA-TA; CAS 38103-05-8).
Reason / purpose:
reference to other study
Reason / purpose:
other: read-across target
Qualifier:
according to
Guideline:
OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
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
Key result
Type:
Pow
Partition coefficient:
5.02
Temp.:
21 °C
pH:
5
Key result
Type:
log Pow
Partition coefficient:
0.7
Temp.:
21 °C
pH:
5
Key result
Type:
Pow
Partition coefficient:
< 0.007
Temp.:
21 °C
pH:
7
Key result
Type:
log Pow
Partition coefficient:
< -2.22
Temp.:
21 °C
pH:
7
Key result
Type:
Pow
Partition coefficient:
< 0.007
Temp.:
21 °C
pH:
9
Key result
Type:
log Pow
Partition coefficient:
< -2.2
Temp.:
21 °C
pH:
9
Conclusions:
The partition coefficient of BPA TA (CAS 38103-05-8) was determined at different pH values according to OECD Test Guideline 107 (1995) (shake flask method). The resulting values are at 21 °C: at pH 5: Pow=5.02, log Pow= 0.7/ at pH 7: Pow< 0.00698, log Pow= <-2.22/ at pH 9: Pow=<0.00732, log Pow <-2.2.
Executive summary:

The partition coefficient of the read across material was determined following the shake flask method in accordance with OECD 107 under GLP conditions.

The test material was determined to be hydrolytically unstable at pH 2, 5-6 and 9, therefore the partition coefficient test was conducted with the hydrolysis product, 4,4'-Bisphenol Tetra-Acid (BPA-TA; CAS 38103-05-8).

Under the conditions of this study the log Pow of the read-across test material was determined to be 0.7, <-2.22 and <-2.2 at pH 5, 7 and 9, respectively.

Description of key information

Under the conditions of this study the log Pow of the read-across test material was determined to be 0.7, <-2.22 and <-2.2 at pH 5, 7 and 9, respectively.

Key value for chemical safety assessment

Log Kow (Log Pow):
-2.22
at the temperature of:
21 °C

Additional information

The partition coefficient of the read across material was determined following the shake flask method in accordance with OECD 107 under GLP conditions. The study was awarded a reliability score of 1 in accordance with the criteria set forth by Klimisch et al. (1997).

The registered substance was determined to be hydrolytically unstable at pH 2, 5-6 and 9, therefore the partition coefficient test was conducted with the hydrolysis product, 4,4'-Bisphenol Tetra-Acid (BPA-TA; CAS 38103-05-8).

Under the conditions of this study the log Pow of the read-across test material was determined to be 0.7, <-2.22 and <-2.2 at pH 5, 7 and 9, respectively.