Dialuminium tris[2-(2,4,5,7-tetrabromo-6-oxido-3-oxoxanthen-9-yl)benzoate]

Partition coefficient

Link to relevant study record(s)

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

Justification for type of information:

data from experimental reports

Qualifier:

according to guideline

Guideline:

OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)

Principles of method if other than guideline:

Reverse Phase High Performance Liquid Chromatography on Octadecyl-modified silica based stationary phase is used.
Partitioning on the column occurs in order of hydrophobicity when a suitable mobile phase is used. From relationship between the measured retention times and the known octanol/water partition coefficient of reference substances, the partition coefficient of the test substance is calculated.

GLP compliance:

not specified

Type of method:

HPLC method

Partition coefficient type:

octanol-water

Specific details on test material used for the study:

Name of the test chemical: dialuminium tris[2-(2,4,5,7-tetrabromo-6-oxido-3-oxoxanthen-9-yl)benzoate]
Molecular formula: C20H8Br4O5.2/3Al
Molecular weight: 1991.5992 g/mol
InChI:1S/3C20H8Br4O5.2Al/c3*21-11-5-9-17(13(23)15(11)25)28-18-10(6-12(22)16(26)14(18)24)20(9)8-4-2-1-3-7(8)19(27)29-20;;/h3*1-6,25-26H;;/q;;;2*+3/p-6
Physical State: powder

Analytical method:

high-performance liquid chromatography

Key result

Type:

log Pow

Partition coefficient:

4.777

Temp.:

25 °C

pH:

6.78

Remarks on result:

other: pH of th test chemical solution - 6.78

Table 1: Results of the reference and test substance

Reference substance	Log Pow	tR1	tR2	tR3	MeantR± S.D.	k	Log k
Formamide	-	0.897	0.899	0.9	0.899±0.001	-	-
Phenol	1.5	1.279	1.278	-	1.278±0.001	0.423	-0.372
Benzene	2.1	1.501	1.504	-	1.502±0.002	0.673	-0.171
Bromobenzene	3.0	2.771	2.762	-	2.766±0.006	2.08	0.318
1,4 dichlorobenzene	3.4	3.447	3.497	-	3.472±0.035	2.866	0.457
1,2,4 Trichlorobenzene	4.2	5.617	5.609	-	5.613±0.006	5.25	0.720
2,6-Diphenylpyridine	4.9	6.987	7.005	-	6.996±0.013	6.79	0.831

Test substance dialuminium tris[2-(2,4,5,7-tetrabromo-6-oxido-3-oxoxanthen-9-yl)benzoate]		K	Log k	Log Pow by Calibration Graph	Mean of Log Pow± S.D.
tR1	0.81	-0.098	1.009	5.036	4.777 ± 0.366
tR2	0.759	-0.155	0.810	4.518

Conclusions:

The Log Pow of dialuminium tris[2-(2,4,5,7-tetrabromo-6-oxido-3-oxoxanthen-9-yl)benzoate] (CAS No. 15876-39-8) was determined to be 4.777 ± 0.366 at 25°C.

Executive summary:

The partition Coefficient n-octanol/water of dialuminium tris[2-(2,4,5,7-tetrabromo-6-oxido-3-oxoxanthen-9-yl)benzoate](CAS No. 15876-39-8)was determined by the Reverse Phase High Performance Liquid Chromatographic method according to OECD Guideline No. 117 for testing of Chemicals. The reference substances were chosen according to structural similarity with the test substance. The reference substances were Phenol, Benzene, Bromobenzene, 1,4 dichlorobenzene, 1,2,4 Trichlorobenzene and 2,6 Diphenylpyridine having Pow value ranging from 1.5 to 4.9.The Log Pow value was determined to be 4.777 ± 0.366 at 25°C.

Description of key information

The partition Coefficient n-octanol/water of dialuminium tris[2-(2,4,5,7-tetrabromo-6-oxido-3-oxoxanthen-9-yl)benzoate] (CAS No. 15876-39-8) was determined

by the Reverse Phase High Performance Liquid Chromatographic method according to OECD Guideline No. 117 for testing of Chemicals. The reference substances were chosen according to structural similarity with the test substance. The reference substances were Phenol, Benzene, Bromobenzene, 1,4 dichlorobenzene, 1,2,4 Trichlorobenzene and 2,6 Diphenylpyridine having Pow value ranging from 1.5 to 4.9.

The Log Pow value was determined to be 4.777 ± 0.366 at 25°C.

Key value for chemical safety assessment

Log Kow (Log Pow):

4.777

at the temperature of:

25 °C

Additional information

The partition Coefficient n-octanol/water of dialuminium tris[2-(2,4,5,7-tetrabromo-6-oxido-3-oxoxanthen-9-yl)benzoate](CAS No. 15876-39-8) was determined by the Reverse Phase High Performance Liquid Chromatographic method according to OECD Guideline No. 117 for testing of Chemicals. The reference substances were chosen according to structural similarity with the test substance. The reference substances were Phenol, Benzene, Bromobenzene, 1,4 dichlorobenzene, 1,2,4 Trichlorobenzene and 2,6 Diphenylpyridine having Pow value ranging from 1.5 to 4.9.The Log Pow value was determined to be 4.777 ± 0.366 at 25°C.