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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:
18-Sep-2017 to 02-Oct-2017
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:
yes
Type of method:
estimation method (solubility ratio)
Partition coefficient type:
octanol-water
Specific details on test material used for the study:
Batch: CVR 83297
Purity/Composition: 97.2%
Test item storage: At room temperature protected from light
Stable under storage conditions until: 27 December 2018 (expiry date)
Analytical method:
other: Visual interpretation
Key result
Type:
log Pow
Partition coefficient:
> 7.99
Temp.:
19.9 °C
pH:
ca. 7
Details on results:
After the tumbling no undissolved test item was observed in the test sample with a nominal concentration of 1026 g/L. Therefore, the octanol solubility was considered to be >10 000 g/L. Based on this value and the determined water solubility of <0.0103 mg/L, the calculated Pow was >9.77x107 and log Pow >7.99, at neutral pH.

After the tumbling no undissolved test item was observed in the test sample with a nominal concentration of 1026 g/L. Therefore, the octanol solubility was considered to be >103 g/L. Based on this value and the determined water solubility of < 0.0103 mg/L, the calculated Pow was > 9.77x107 and log Pow >7.99 at neutral pH.

Conclusions:
The estimation method was applied for the determination of the partition coefficient (Pow) of Epoxypropyl neodecanoate, oligomeric reaction products with cyclohexane-1,2-dicarboxylic anhydride and propylidenetrimethanol as it was considered as most suitable method. The Pow value of the test item at neutral pH was estimated to be >9.77x107 and corresponded log Pow value >7.99.
Executive summary:

The partition coefficient was estimated in a study run to OECD 117. The estimation method was applied for the determination of the partition coefficient (Pow) of Epoxypropyl neodecanoate, oligomeric reaction products with cyclohexane-1,2-dicarboxylic anhydride and propylidenetrimethanol as it was considered as most suitable method.

The Pow value of the test item at neutral pH was estimated to be > 9.77 x 107and corresponded log Pow value > 7.99.

Description of key information

The partition coefficient was estimated in a study run to OECD 117. The estimation method was applied for the determination of the partition coefficient (Pow) of Epoxypropyl neodecanoate, oligomeric reaction products with cyclohexane-1,2-dicarboxylic anhydride and propylidenetrimethanol as it was considered as most suitable method in line with OECD 117.

The Pow value of the test item at neutral pH was estimated to be >9.77x107 and corresponded log Pow value >7.99.

Key value for chemical safety assessment

Log Kow (Log Pow):
7.99
at the temperature of:
19.9 °C

Additional information