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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:
10 Sep 2013 - 18 Apr 2014
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
other: GLP guideline study
Qualifier:
according to
Guideline:
OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
GLP compliance:
yes
Type of method:
HPLC method
Partition coefficient type:
octanol-water
Analytical method:
high-performance liquid chromatography
Type:
log Pow
Partition coefficient:
10.1
Temp.:
40 °C
Remarks on result:
other: no information given about pH
Details on results:
According to the method, at least one reference substance with above the expected lg Pow value of [trade name] should be used. However, [trade name] was very strong retention on the column, and its lg Pow was found to be higher than log Pow of 4,4'-DDT, reference substance with the highest lg Pow (of 6.5). These showed that the partition coefficient (n-octanol/water) of [trade name] is high. Considering the uncertainty of extrapolation, the lg Pow of [trade name] was considered to be higher than 6.5.

Capacity factors k of reference substances:

The capacity factor k for each reference substance was calculated from the measured retention times: k = (tR- t0)/t0

Reference substance

tR(min) (average of two values)

k

lg k

lg Pow

thiourea

0.590

-

-

-

cinnamyl alcohol

0.708

0.200

-0.699

1.9

4-chlorophenol

0.743

0.259

-0.587

2.4

2,4,6 -tricholorophenol

1.06

0.797

-0.0985

3.7

benzyl benzoate

1.38

1.34

0.127

4.0

triphenylamine

3.45

4.85

0.686

5.7

 4,4'-DDT

 4.53

 6.68  0.825  6.5

Regression equation:

lg Pow = 3.9138 + 2.8291 * lg k; correlation coefficient R = 0.9883.

Result for test substance:

The retention times of [trade name] were 93.6 min. and 92.6 min. for the two injections. Based on the regression line, the lg Pow of [trade name] was extrapolated to be 10.1, and 10.1, the average value of lg Pow was 10.1.

Description of key information

The substance  Reaction mass of 1,1'-(isopropylidene)bis[3,5-dibromo-4-(2,3-dibromo-2-methylpropoxy)benzene] and 1,3-dibromo-2-(2,3-dibromo-2-methylpropoxy)-5-{2-[3,5-dibromo-4-(2,3,3-tribromo-2-methylpropoxy)phenyl]propan-2-yl}benzene has a log Pow of 10.1 at 40 °C (OECD 117 method).

Key value for chemical safety assessment

Log Kow (Log Pow):
10.1
at the temperature of:
40 °C

Additional information