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Adsorption / desorption

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Reference
Endpoint:
adsorption / desorption: screening
Type of information:
experimental study
Adequacy of study:
key study
Study period:
07-04-2017 - 07-04-2017
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))
GLP compliance:
no
Type of method:
HPLC estimation method
Media:
soil/sewage sludge
Specific details on test material used for the study:
Test Item Name : 4-(phenylazo)benzene-1,3-diamine
CAS No. : 495-54-5
Batch No./ Lot no. : KCP/FS/43/17
Physical Appearance : orange powder
Light sensitive / Hygroscopic /
Date of manufacturing : 08-01-17
Date of expiry : 08-12-17
Purity : not available in coa
Stability : Stable in recommended storage conditions
Storage Conditions : 1. Ambient Temp (23 to 27 °C)
Precautions : Wear respiratory protection. Avoid contact with skin and eyes. Avoid dust formation. Avoid breathing dust, fume, vapours, mist, spray or gas. Ensure adequate ventilation. Evacuate personnel to safe areas. Use only in a chemical fume hood.
Molecular formula: C12-H12-N4
Molecular weight: 212.255
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(Annex - 2).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, 3.5μm
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
Details on sampling:
Preparation of Test Item:
A test item solution was prepared by accurately weighing 4 mg of test item and diluted with ACN up to 10ml. Thus, the test solution concentration was 400 mg/l.The pH of test substance was 7.32
Key result
Sample No.:
#1
Type:
log Koc
Value:
2.324 dimensionless
pH:
7.32
Temp.:
25 °C
Matrix:
soil and on sewage sludge
Details on results (HPLC method):
The Adsorption coefficient (KOC) on soil and on sewage sludge of the 4-(phenylazo)benzene-1,3-diamine (CAS No. 495-54-5)was found to be 2.3244 ± 0.000 at 25°C

     Test substance

4-(phenylazo)benzene-1,3-

diamine

K

Log k

Log Koc by Generalized Calibration

Graph

Mean of Log Koc ± S.D.

tR1

3.009

2.392333709

0.37882176

2.324433993

2.3244± 0.000

tR2

3.009

2.392333709

0.37882176

2.324433993

Validity criteria fulfilled:
yes
Conclusions:
The Adsorption Coefficient of test substance 4-(phenylazo)benzene-1,3-diamine (CAS No. 495-54-5)was determined as per the HPLC method (OECD Guideline-121). The Log Koc value was found to be 2.3244 ± 0.000 at 25°C.
Executive summary:

The adsorption coefficient Koc in soil and in sewage sludge 4-(phenylazo)benzene-1,3-diamine(CAS No.495 -54-5) 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

functional similarity with the test substance and calibration graph prepared. The reference substances were 4 -methylaniline(p-Tolouidine), Aniline, Xylene, Ethylbenzene, Toluene, Naphthalene having Koc value ranging from 1.9 to 2.75. The Log Koc value was found to be 2.3244 ± 0.000 at 25°C.

Description of key information

The Adsorption Coefficient of test substance 4-(phenylazo)benzene-1,3-diamine (CAS No. 495-54-5)was determined as per the HPLC method (OECD Guideline-121). The Log Koc value was found to be 2.3244 ± 0.000 at 25°C.

Key value for chemical safety assessment

Koc at 20 °C:
210.86

Additional information

Experimental key study and predicted supporting data for the endpoint adsorption of the test substance 4-(phenylazo)benzene-1,3-diamine and are presented below:

In key study, the adsorption coefficient Koc in soil and in sewage sludge 4-(phenylazo)benzene-1,3-diamine(CAS No.495 -54-5) 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 functional similarity with the test substance and calibration graph prepared. The reference substances were 4 -methylaniline(p-Tolouidine), Aniline, Xylene, Ethylbenzene, Toluene, Naphthalene having Koc value ranging from 1.9 to 2.75. The Log Koc value was found to be 2.3244 ± 0.000 at 25°C.

Supporting data from modelling database EPI suite indicates the Soil Adsorption Coefficient i.e Koc value of 4-(Phenylazo)benzene-1,3-diamine estimates as 309.8 L/kg by means of MCI method.

Considering the key value, it can be concluded that 4-(Phenylazo)benzene-1,3-diamine will have low tendency of sorption to soil and sediment and therefore have moderate migration potential to groundwater.

[LogKoc: 2.324]