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Reference
Endpoint:
adsorption / desorption: screening
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:
Experimental test result performed using standard test guidelines
Qualifier:
according to
Guideline:
OECD Guideline 121 (Estimation of the Adsorption Coefficient (Koc) on Soil and on Sewage Sludge using High Performance Liquid Chromatography (HPLC))
Principles of method if other than guideline:
Adsorption coefficient of test chemical 3-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo]-N,N,Ntrimethylanilinium chloride (CAS No 68391-31-1) was determined by using HPLC method.
GLP compliance:
no
Type of method:
HPLC estimation method
Media:
soil/sewage sludge
Radiolabelling:
no
Test temperature:
25°C
Details on study design: HPLC method:
HPLC Procedure:
The solutions of the test substance and reference substances were prepared in solvent mentioned in 4.3. Each of the reference substance and test substance were analysed by HPLC at 210 nm. After equilibration of the HPLC system, Urea was injected first, the reference substances were injected in duplicate, followed by the test chemical solution in duplicate. Reference substances were injected again after test sample, no change in retention time of reference substances was observed. Retention time tR were measured, averaged and the decimal logarithms of the capacity factors k were calculated. The graph was plotted between log Koc versus log k(table 3).The linear regression parameter of the relationship log Koc vs log k were also calculated from the data obtained with calibration samples and therewith, log Koc of the test substance was determined from its measured capacity factor.

Operating Conditions:
HPLC Model No. : Agilent Technologies,1260 Infinity
Flow Rate : 1.0ml/min
Column : ZORBAX Eclipse Plus C18, 4.6×100mm, 3.5 μm
Mobile phase : ACN : water (55:45)
Temperature : 25°C
Detector : Diode Array Detector @210nm
Injector : Autosampler
Injector volume : 10μl
Data Acquisition software : ChemStationOpen lab Control Panel
Analytical monitoring:
not specified
Key result
Sample No.:
#1
Type:
log Koc
Value:
1.029 dimensionless
Temp.:
25 °C
Remarks on result:
other: The log Koc of test chemical was determined to be 1.029± 0.012 at 25°C.
Details on results (HPLC method):
The Adsorption coefficient (KOC) on soil and on sewage sludge of the 3-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo]-N,N,N-trimethylanilinium chloride(CAS No.68391-31- 1)was determined to be 1.029± 0.012 at 25°C
Transformation products:
not specified

Table 1:

Reference substance

Log Pow

Rt1

Rt2

Rt3

Mean Rt ± S.D.

k

Log k

Acetanilide

1.25

1.265

1.267

NA

1.266±0.001

0.4273

-0.3693

4-chloroaniline

1.96

2.012

2.021

NA

2.0165±0.006

1.2734

0.105

4-methylaniline(p
Tolouidine)

1.9

1.755

1.748

NA

1.7515±0.005

0.9746

-0.0112

N-methylaniline

2.28

2.303

2.294

NA

2.2985±0.006

1.5913

0.2018

p-toluamide

1.78

1.18

1.182

NA

1.181±0.001

0.3315

-0.4796

Aniline

2.07

1.513

1.495

NA

1.504±0.013

0.6956

-0.1576

2,5-Dichloroaniline

2.58

3.548

3.574

NA

3.561±0.018

3.0147

0.4792

4-nitrophenol

2.46

1.559

1.56

NA

1.5595±0.001

0.7582

-0.1202

2 - nitrophenol

2.47

2.213

2.224

NA

2.2185±0.008

1.5011

0.1764

2-nitrobenzamide

1.45

1.091

1.094

NA

1.0925±0.002

0.2317

-0.6351

3-nitrobenzamide

1.95

1.159

1.158

NA

1.1585±0.001

0.3061

-0.5142

Nitrobenzene

2.35

2.426

2.429

NA

2.4275±0.002

1.7368

0.2397

4-Nitrobenzamide

1.93

1.161

1.159

NA

1.16±0.001

0.3078

-0.5118

1-naphtol

3.3

2.41

2.403

NA

2.4065±0.005

1.7131

0.2338

Direct Red 81

3.43

0.827

0.818

NA

0.8225±0.006

-0.0727

1.139

Benzoic acid
methylester

1.8

2.585

2.61

NA

2.5975±0.018

0.1917

-0.7175

Carbendazim

2.35

1.193

1.193

NA

1.193±0.000

0.345

-0.4622

Benzoic acid
phenylester

2.87

6.57

6.642

NA

6.606±0.051

6.4476

0.8094

Xylene

2.58

6.241

6.232

NA

6.2365±0.006

6.031

0.7804

Ethylbenzene

2.649

6.359

6.355

NA

6.357±0.003

6.1669

0.7901

Toluene

2.369

4.378

4.382

NA

4.38±0.003

3.938

0.5953

Naphthalene

2.75

6.127

6.218

NA

6.1725±0.064

5.9589

0.7752

1,2,3-trichlorobenzene

3.16

9.519

9.541

NA

9.53±0.016

9.7441

0.9887

Pentachlorophenol

3.695

8.282

8.259

NA

8.2705±0.016

8.3241

0.9203

3,5-dinitrobenzamide

2.31

1.308

1.311

NA

1.3095±0.002

0.4763

-0.3221

Benzamide

1.26

1.092

1.092

NA

1.092±0.000

0.2311

-0.6362

phenanthrene

4.09

11.996

11.779

NA

11.8875±0.153

12.4019

1.0935

 


Table 2:

Test substance
3-[(4,5-dihydro-3-methyl-5-oxo-1-
phenyl-1H-pyrazol-4-yl)azo]-
N,N,N-trimethylanilinium chloride

K

Log k

Log Koc
by Generalized Calibration
Graph

Mean of Log Koc ± S.D.

Rt1

0.937

0.056

-1.249

1.037

1.029± 0.012

Rt2

0.935

0.054

-1.267

1.020

 

 

 

 

 

 

Validity criteria fulfilled:
yes
Conclusions:
The Adsorption Coefficient of test substance 3-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo]-N,N,Ntrimethylanilinium chloride (CAS No. 68391-31-1)was determined as per the HPLC method (OECD Guideline-121). The Log Koc value was found to be 1.029± 0.012 at 25°C.
Executive summary:

The adsorption coefficient Koc in soil and in sewage sludge 3-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1Hpyrazol-4-yl)azo]-N,N,N-trimethylanilinium chloride(CAS No.68391-31-1) was determined by the Reverse Phase High Performance Liquid Chromatographic method according to OECD Guideline No. 121 for testing of Chemicals. The reference substances were chosen according to estimated Koc range of the test substance and generalized calibration graph was prepared. The reference substances were Acetanilide, 4-chloroaniline, 4-methylaniline(p-Tolouidine), N-methylaniline, p-toluamide, Aniline, 2,5-Dichloroaniline, 4-nitrophenol, 2 -nitrophenol, 2-nitrobenzamide, 3-nitrobenzamide, Nitrobenzene, 4-Nitrobenzamide, 1-naphtol, Direct Red 81, Benzoic acid methylester, Carbendazim, Benzoic acid phenylester, Xylene, Ethylbenzene, Toluene, Naphthalene, 1,2,3-trichlorobenzene, Pentachlorophenol, 3,5-dinitrobenzamide, Benzamide, phenanthrene having Koc value ranging from 1.25 to 4.09 The Log Koc value was determined to be 1.029± 0.012at 25°C.

Description of key information

The Adsorption Coefficient of test substance 3-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo]-N,N,Ntrimethylanilinium chloride (CAS No. 68391-31-1)was determined as per the HPLC method (OECD Guideline-121). The Log Koc value was determined to be 1.029± 0.012 at 25°C.

Key value for chemical safety assessment

Koc at 20 °C:
25

Additional information

The adsorption coefficient Koc in soil and in sewage sludge 3-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1Hpyrazol-4-yl)azo]-N,N,N-trimethylanilinium chloride(CAS No.68391-31-1) was determined by the Reverse Phase High Performance Liquid Chromatographic method according to OECD Guideline No. 121 for testing of Chemicals. The reference substances were chosen according to estimated Koc range of the test substance and generalized calibration graph was prepared. The reference substances were Acetanilide, 4-chloroaniline, 4-methylaniline(p-Tolouidine), N-methylaniline, p-toluamide, Aniline, 2,5-Dichloroaniline, 4-nitrophenol, 2 -nitrophenol, 2-nitrobenzamide, 3-nitrobenzamide, Nitrobenzene, 4-Nitrobenzamide, 1-naphtol, Direct Red 81, Benzoic acid methylester, Carbendazim, Benzoic acid phenylester, Xylene, Ethylbenzene, Toluene, Naphthalene, 1,2,3-trichlorobenzene, Pentachlorophenol, 3,5-dinitrobenzamide, Benzamide, phenanthrene having Koc value ranging from 1.25 to 4.09 The Log Koc value was determined to be 1.029± 0.012at 25°C.