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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
Qualifier:
according to
Guideline:
OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
Deviations:
no
GLP compliance:
no
Remarks:
Conducted in a GLP compliant laboratory but not as part of a formal GLP study.
Type of method:
HPLC method
Partition coefficient type:
octanol-water
Analytical method:
high-performance liquid chromatography
Type:
log Pow
Partition coefficient:
2.96
Remarks on result:
other: Peak 1
Type:
log Pow
Partition coefficient:
3.5
Remarks on result:
other: Peak 2
Type:
log Pow
Partition coefficient:
3.62
Remarks on result:
other: Peak 3

The capacity factor (k) of five reference substances was calculated using thiourea as an unretained reference (reference substances: anisole; naphthalene; biphenyl; fluoranthene and triphenylamine).

Phenol was originally used as a sixth reference substance, however, this was found to skew the graph at the lower end. It was therefore deemed appropriate to recalculate the results without phenol.

1

ASG

Partition Coefficient (LogP)

(using 6 references)

Partition Coefficient (LogP)

(using 5 references)

10429819

 

Peak 1

Peak 2

Peak 3

Peak 1

Peak 2

Peak 3

3.18

3.65

3.75

2.96

3.50

3.62

Conclusions:
The partition coefficient was calculated for the three major components of 3M Propoxylated Bisphenol A Derivative. The results showed Log Pow of 2.96 (Peak 1), 3.5 (Peak 2) and 3.62 (Peak 3).
Executive summary:

The partition coefficient of the test substance was determined in accordance with the OECD Guideline for Testing of Chemicals 117. The partition coefficient was determined using the HPLC method, and was calculated for the three major components of the test substance. The results showed a Log Pow of 2.96 (Peak 1), 3.5 (Peak 2) and 3.62 (Peak 3).

Description of key information

The partition coefficients of the three major peaks of the test substance were found to be 2.96 (Peak 1), 3.50 (Peak 2) and 3.62 (Peak 3) in the key study.

Key value for chemical safety assessment

Log Kow (Log Pow):
3.62

Additional information

Two studies were conducted on the registered substance to determine the partition coefficient of the substance. In both studies the partition coefficient of the test substance was determined in accordance with the OECD Guideline for Testing of Chemicals 117, using the HPLC method. In the key study on the BPA 3PO the partition coefficients were determined for the three major components of the substance. The results showed a Log Pow of 2.96 (Peak 1), 3.5 (Peak 2) and 3.62 (Peak 3). In the supporting study on BPA 5PO a Log Pow of 3.11 - 5.99 was reported.