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Physical & Chemical properties

Partition coefficient

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Administrative data

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Reference
Endpoint:
partition coefficient
Type of information:
read-across from supporting substance (structural analogue or surrogate)
Adequacy of study:
key study
Justification for type of information:
Refer chapter 13 for the detailed analogue justification.
Reason / purpose for cross-reference:
read-across source
Type:
log Pow
Partition coefficient:
0.76
Temp.:
25 °C
Remarks on result:
other: neutral pH; result for main component; peak area = 96%
Type:
Pow
Partition coefficient:
5.8
Temp.:
25 °C
Remarks on result:
other: neutral pH; result for main component; peak area = 96%
Type:
log Pow
Partition coefficient:
< 0.3
Temp.:
25 °C
Remarks on result:
other: neutral pH; result for impurity I; peak area = 2.1%
Type:
Pow
Partition coefficient:
< 2
Temp.:
25 °C
Remarks on result:
other: neutral pH; result for impurity I; peak area = 2.1%
Conclusions:
Based on the read across data generated from 3,3,DDS using HPLC method for the determination of the partition coefficient (Pow), the log Pow and Pow values target substance 4,4 DDS were 0.76 and 5.8, respectively.
Executive summary:

Data on partition coefficient was not available for the target substance. To fill the data gaps, read across approach is adapted using similar substance 3,3 DDS. Read-across is claimed basis of structural relationship of the target and the source chemicals.

So, based on the read across data generated from 3,3,DDS using HPLC method for the determination of the partition coefficient (Pow), the log Pow and Pow values target substance 4,4 DDS were 0.76 and 5.8, respectively.

Description of key information

Based on the read across data generated from 3,3,DDS the log Pow and Pow values target substance 4,4 DDS were 0.76 and 5.8, respectively.

Key value for chemical safety assessment

Log Kow (Log Pow):
0.76
at the temperature of:
25 °C

Additional information