Reaction product of {Sulfonic acid derivatives of [4-(aminoalkylamino)-6-substituted-1,3,5-triazin-2-ylamino]benzene}, ammonia water, sodium chloride and [poly(1~4)chlorosulfonyl(poly(1~4) benzo-poly(3~0)pyrido-5,10,15,20-tetraazaporphyrinato- N21,N22,N23,N24)]copper(II)

Adsorption / desorption

Administrative data

Endpoint:

adsorption / desorption: screening

Type of information:

experimental study

Adequacy of study:

key study

Study period:

Phys chem testing was conducted between 10 March 2011 and 12 April 2012

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

other: Study conducted to GLP and in compliance with agreed protocols, with no or minor deviations from standard test guidelines and/or minor methodological deficiencies, which do not effect the quality of the relevant results.

Data source

Reference

Reference Type:

study report

Title:

Unnamed

Year:

2011

Report date:

2011

Materials and methods

Test guideline

Test guideline 1

Qualifier:

according to guideline

Guideline:

OECD Guideline 121 (Estimation of the Adsorption Coefficient (Koc) on Soil and on Sewage Sludge using High Performance Liquid Chromatography (HPLC))

Deviations:

no

Test guideline 2

Qualifier:

according to guideline

Guideline:

EU Method C.19 (Estimation of the Adsorption Coefficient (KOC) on Soil and Sewage Sludge Using High Performance Liquid Chromatography (HPLC))

Deviations:

no

GLP compliance:

yes (incl. QA statement)

Type of method:

HPLC estimation method

Test material

Test material information

Constituent 1

Test material form:

solid: particulate/powder

Remarks:

migrated information: powder

Details on test material:

Identification: TM10-099
Description: dark blue powder
Batch number: MB-1
Date received: 4 March 2011
Expiry date: 4 March 2012
Storage conditions: room temperature in the dark

Radiolabelling:

no

Study design

Test temperature:

Column temperature: 30°C

HPLC method

Details on study design: HPLC method:

EQUIPMENT
- Apparatus: Agilent Technologies 1100, incorporating workstation
- Type, material and dimension of analytical (guard) column: Optimal CN 5µm (150 x 4.6 mm id)
- Detection system: UV

MOBILE PHASES
- Type: methanol:reverse osmosis water (55:45 v/v)
- pH: 7.8
- Solutes for dissolving test and reference substances: mobile phase (test substance), methanol (reference substances)

DETERMINATION OF DEAD TIME
- Method: by inert substances which are not retained by the column

REFERENCE SUBSTANCES
- Identity: Acetanilide, Phenol, Atrazine, lsoproturon, Triadimenol, Linuron, Naphthalene, Endosulfan-diol, Fenthion, α-Endosulfan, Phenanthrene, Diclofop-methyl, DDT

DETERMINATION OF RETENTION TIMES
- Quantity of test substance introduced in the column: not reported
- Quantity of reference substances: not reported
- Intervals of calibration: log Koc of reference substances between 1.25 - 5.63.

REPETITIONS
- Number of determinations: 2

EVALUATION
- Calculation of capacity factors k:
k =(tR -t0)/t0, where
tR: retention time of the test substance
t0: column dead time

- Calculation of retention times: Measured
- Determination of the log Koc value:

Log10 Koc = (Log10 k - A)/B
where:
Koc: adsorption coefficient
k: capacity factor
A: intercept of the calibration curve
B: slope of the calibration curve

Results and discussion

Adsorption coefficient

Adsorption coefficient 1

Type:

Koc

Value:

< 17.8

Temp.:

30 °C

Remarks on result:

other: Column temperature

Adsorption coefficient 2

Type:

log Koc

Value:

< 1.25

Temp.:

30 °C

Remarks on result:

other: Column temperature

Results: HPLC method

Details on results (HPLC method):

- Retention times of reference substances used for calibration:
Acetanilide: 2.506
Phenol: 2.522
Atrazine: 2.867
lsoproturon: 3.126
Triadimenol: 3.673
Linuron: 4.170
Naphthalene: 3.946
Endosulfan-diol: 5.000
Fenthion: 6.071
α-Endosulfan: 7.004
Phenanthrene: 6.255
Diclofop-methyl: 6.997
DDT: 12.899
- Details of fitted regression line (log k' vs. log Koc):
Intercept= -0.863
Slope= 0.306
r=0.973
- Graph of regression line attached: yes
- Average retention data for test substance: 2.001 mins

Any other information on results incl. tables

Adsorption coefficient of sample:

The retention times, capacity factors and log₁₀ Koc values determined for the sample are shown in the following table:

Injection	Retention Time (mins)	Capacity Facotr (k)	Log10K	Log10Koc
1	1.026	<0.253	<-0.597	<1.25
2	1.028	<0.253	<-0.597	<1.25

Discussion

The method guideline states that the measurement of adsorption coefficient should be carried out on substances in their ionised and unionised forms. However, since the test item contained numerous sulphonic acid salt groups, it was impossible to satisfy this criterion. Therefore testing was carried out at approximately neutral pH with the test item in an ionised state.

Applicant's summary and conclusion

Validity criteria fulfilled:

yes

Conclusions:

The adsorption coefficient (Koc) of the test item has been determined to be less than 17.8, log10 Koc < 1.25.

Executive summary:

The adsorption coefficient of the test item TM10-099 was determined in a valid GLP study. A HPLC screening method was used which was designed to be compatible with OECD TG No 121.

Test item (0.1001 g) was diluted with mobile phase and its retention time was determined in duplicate by HPLC. The method guideline states that the measurement of adsorption coefficient should be carried out on substances in their ionised and unionised forms. However, since the test item contained numerous sulphonic acid salt groups, it was impossible to satisfy this criterion. Therefore testing was carried out at approximately neutral pH with the test item in an ionised state.

The adsorption coefficient (Koc) of the test item has been determined to be less than 17.8, log10 Koc < 1.25.