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Partition coefficient

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Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
other: This study was carried out to fulfill the demands of the OECD Guideline 117 (OECD 1989), "Partition Coefficient (n-octanol/water), High Performance Liquid Chromatography (HPLC) Method" using GLP
Qualifier:
according to
Guideline:
OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
Deviations:
no
Principles of method if other than guideline:
Reverse-phase high performance liquid chromatography (HPLC) was applied to a rapid indirect estimation of Pow. Chemicals injected onto a reverse-phase HPLC column are eluted in order of their hydrophilicity, thus enabling the establishment of the relationship between the retention time on the column and the n-octanol/water partition coefficient.
GLP compliance:
yes
Type of method:
HPLC method
Partition coefficient type:
octanol-water
Type:
log Pow
Partition coefficient:
>= 2.64 - <= 3.78
Temp.:
25 °C
pH:
ca. 7
Conclusions:
The HPLC estimated log Pow for the major component of EPIKOTE 828 was 3.26 (+/- 0.52).
Executive summary:

The n-octanol/water partition coefficient log(10) Pow value for the major component of EPIKOTE 828 estimated by a reverse-phase HPLC method was 3.3. This agrees with the calculated value of 3.1. These values indicate a moderate potential for the substance to accumulate from water into organisms.

Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
other: Study carried out using GLP principles
Qualifier:
according to
Guideline:
EU Method A.8 (Partition Coefficient)
Deviations:
no
Qualifier:
according to
Guideline:
OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
Deviations:
no
Principles of method if other than guideline:
In order to determine a partition coefficient, equilibrium between all interacting components of the system must be achieved, and the concentrations of the substances dissolved in the two phases must be determined. Two appropriate methods have been published in guidelines to determine the partition coefficient:
- Shake-flask method, based on mixing of the two phases followed by their separation in order to determine the equilibrium concentration for the substance being examined
- HPLC method, based on the relationship between the retention time of the substance on a reverse-phase column and its n-octanol/water partition coefficient.
The shake-flask method is applicable when log Pow falls within the range -2 to 4 and the HPLC method within the range 0 to 6.
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:
>= 2.918
Temp.:
25 °C
pH:
ca. 7.1
Conclusions:
In accordance with the estimated values of log Pow, it was decided to use the HPLC method for partition coefficient determination. The partition coefficient of the main component 2,2-Bis[(1-Methylethylidene)bis(4,1-phenyleneoxymethylene)]bisoxirane (IPDP) is: log P = 3.242 +/- 0.324 (25 °C, pH = 7.1)

Description of key information

The partition coefficient of the main component 2,2-Bis[(1-Methylethylidene)bis(4,1-phenyleneoxymethylene)]bisoxirane (IPDP) is:
log P = 3.242 +/- 0.324 (25 °C, pH = 7.1)

Key value for chemical safety assessment

Log Kow (Log Pow):
3.242
at the temperature of:
25 °C

Additional information