Sodium 5-N-butylbenzotriazole

Partition coefficient

Link to relevant study record(s)

Reference

Endpoint:

partition coefficient

Type of information:

experimental study

Adequacy of study:

key study

Study period:

16.05.1989- 25.05.1989

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Qualifier:

according to guideline

Guideline:

EU Method A.8 (Partition Coefficient)

GLP compliance:

yes

Type of method:

HPLC method

Partition coefficient type:

octanol-water

Specific details on test material used for the study:

SOURCE OF TEST MATERIAL
- Source: Betz Laboratories Inc
- Purity test date: 82% and 91.4%

STABILITY AND STORAGE CONDITIONS OF TEST MATERIAL
- Storage condition of test material: In the dark at room temperature
- Solubility and stability of the test substance in the solvent/vehicle:
- Reactivity of the test substance with the solvent/vehicle of the cell culture medium:

TREATMENT OF TEST MATERIAL PRIOR TO TESTING
- Treatment of test material prior to testing: No
- Preliminary purification step (if any): No
- Final dilution of a dissolved solid, stock liquid or gel: No

Analytical method:

high-performance liquid chromatography

Key result

Type:

log Pow

Partition coefficient:

0.65

Temp.:

19 °C

Remarks on result:

other: pH not measured

Remarks:

Substance is a salt and the pH will not have a significant effect on the partition coefficient

Analytical data: concentration Butyl benzotriazole sodium salt in n-octanol solution before partition.

Duplicate	Peak height	Original concentration (µg/ml)	Mean result (µg/ml)
AB	190176190227	2039.12039.6	2039.4

Analytical data: Organic phase analysis

Test	Peak height	Concentration test phase after partition (µg/ml)	Volume of test phase (ml)	Total µg in test phase after partition
1A	231000	1651.1	20	33021
1B	229795	1642.5	20	32849
2A	238872	1707.3	40	68292
2B	236466	1690.1	40	67605
3A	226901	1621.8	10	16218
3B	226635	1619.9	10	16198

Calculation by SP4270 integrator using the data from the first calibration curve.

test	Peak height	Concentration test phase after partition (µg/ml)	Volume of test phase (ml)	Total µg in test phase after partition
1A	201052	431.13	20	8622.6
1B	200335	429.60	20	8591.9
2A	331577	710.91	20	14218
2B	335036	718.32	20	14366
3A	105045	225.34	20	4506.9
3B	104997	225.24	20	4504.8

Calculated by SP4270 integrator using the data from the first calibration curve.

Calculation of partition coefficients

Test	Organic phase concentration	Aqueous phase concentration	Pow	Mean Pow for each test	Mean Pow for all determinations	log Pow
1A	1651.1	431.13	3.830	3.827)	4.466	0.583
1B	1642.5	429.60	3.823	)		0.582
2A	1707.3	710.91	2.402	2.378)		0.380
2B	1690.1	718.32	2.353	)		0.372
3A	1621.8	225.34	7.197	7.195)		0.857
3B	1619.9	225.24	7.192	)		0.857

Conclusions:

The partition coefficient (n-octanol/water) of Butyl benzotriazole sodium salt has been determined as:
lg Pow = 0.65 at 19°C ± 0.5°C

Executive summary:

The partition coefficient (n-octanol/water) of Butyl benzotriazole sodium salt has been determined as: lg Pow = 0.65 at 19°C ± 0.5°C according to EU Method A.8 (Partition Coefficient).

Description of key information

The partition coefficient (n-octanol/water) of butyl benzotriazole sodium salt has been determined as:
log Pow = 0.65 at 19°C ± 0.5°C

Key value for chemical safety assessment

Log Kow (Log Pow):

0.65

at the temperature of:

19 °C

Additional information

Concentration of Butyl benzotriazole sodium salt in n-octanol test solution before partition.

The concentration of Butyl bezotriazole sodium salt in the n-octanol test solution before partition was determined as 2039.4 µg/ml.

Analytical data are given in Table 4 (attached report).

The concentration of Butyl benzotriazole sodium salt in the n-octanol test solution before partition, based on the mass of test substance used was 1968.05 µg/ml

Concentration of Butyl benzotriazole sodium salt in aqueous and organic test phases after partition.

analytical data are given in tables 5 and 6 (attached report)

Butyl benzotriazole sodium salt was not detected in the blank test phases. Results are not corrected for purity of test substance.

Calculation of partition coefficients

Data for the calculation of the partition coefficient of Butyl benzotriazole sodium salt are given in Table 7 (attached document)

the average value of the partition coefficient from all determinations was:

P= 4.466

log P: 0.650

Standard deviation of individual P values about their mean is: 2.211

The range of log P values was 0.485 log units- within the reapetability criteria of 0.6 log units required by Annnex V.

Typical chromatography are given in Figure1 -2 (attached document)

A repeat test was carried out to confirm the trend of varying partition coefficient with varying solvent ratio. The results of the repeat test agree very closely with the results of this test and hence only the results of the first test are reported here.