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

Partition coefficient

Link to relevant study record(s)

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

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 = (t_R- 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