Disodium 4,4'-[[2,4-dihydroxy-5-(hydroxymethyl)-1,3-phenylene]bis(azo)]bisnaphthalene-1-sulphonate

Adsorption / desorption

Link to relevant study record(s)

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 OECD test guidelines

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))

GLP compliance:

no

Type of method:

HPLC estimation method

Media:

soil/sewage sludge

Specific details on test material used for the study:

SOURCE OF TEST MATERIAL
- Source and lot/batch No.of test material: FG/14-15/1097
- Expiration date of the lot/batch: December, 2023
- Purity test date: -

STABILITY AND STORAGE CONDITIONS OF TEST MATERIAL
- Storage condition of test material: 1. Ambient Temp (23 to 27 °C) √
2. In Refrigerator (4 °C)
3. In Freezer (-10 To 0 °C)

- Stability under test conditions: Stable in recommended storage conditions
- 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: -

Radiolabelling:

no

Details on study design: HPLC method:

The solutions of the test substance and reference substances were prepared in the mobile phase. 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.

Chromatographic Conditions:
• HPLC Model No.: Agilent Technologies,1260 Infinity
• Flow Rate: 1.0ml/min
• Column: ZORBAX Eclipse Plus C18, 4.6×250mm, 5 µm
• Mobile phase : Methanol:water (55:45)
• Temperature: 25°C
• Detector: Diode Array Detector @210nm
• Injector: Autosampler
• Injector volume: 20µl
• Data Acquisition software: ChemStationOpen lab Control Panel
• Analysis time: 30min

Key result

Type:

log Koc

Value:

3.259 dimensionless

pH:

6.68

Temp.:

25 °C

Remarks on result:

other: Reported as 3.259± 0.004

Reference substance	Log Koc	tR1	tR2	tR3	MeantR± S.D.	k	Log k
Urea	-	2.367	2.368	2.365	2.366±0.001	-	-
Benzamide	1.239	3.326	3.322	-	3.324±0.002	0.4049	-0.392
N-methylbenzamide	1.3	3.603	3.608	-	3.6055±0.003	0.5238	-0.28
4-Nitrobenzamide	1.43	3.744	3.751	-	3.7475±0.004	0.5838	-0.233
N,N-dimethylbenzamide	1.52	4.294	4.296	-	4.295±0.001	0.8153	-0.088
4-methylaniline(p-Tolouidine)	1.9	5.192	5.2	-	5.196±0.001	1.196	0.077
4-chloroaniline	1.96	6.072	6.068	-	6.07±0.005	1.5655	0.194
N-methylaniline	2.28	6.548	6.559	-	6.5535±0.002	1.7698	0.247
Nitrobenzene	2.35	7.703	7.697	-	7.7±0.004	2.254	0.352
2 - nitrophenol	2.47	7.558	7.551	-	7.5545±0.004	2.192	0.34
phenanthrene	4.09	128.943	128.869	-	128.906±0.052	53.482	1.728

Test substance disodium 4,4'-[[2,4-dihydroxy-5-(hydroxymethyl)-1,3-phenylene] bis(azo)]bisnaphthalene-1-sulphonate		K	Log k	Log K­oc by Calibration Graph	Mean of LogKoc± S.D.
tR1	2.162	-0.086	1.065	3.263	3.259± 0.004
tR2	2.161	-0.087	1.060	3.256

Validity criteria fulfilled:

not specified

Conclusions:

The partition coefficient of test substance disodium 4,4'-[[2,4-dihydroxy-5-(hydroxymethyl)-1,3-phenylene]bis(azo)]bisnaphthalene-1-sulphonate (CAS No.4553-89-3) was determined as per the HPLC method (OECD Guideline-12). The Log Koc value was found to be 3.259± 0.004 at 25°C.

Executive summary:

The partition Coefficient n-octanol/water of disodium 4,4'-[[2,4-dihydroxy-5-(hydroxymethyl)-1,3-phenylene]bis(azo)]bisnaphthalene-1-sulphonate (CAS No. 4553-89-3)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 K_ocrange of the test substance and generalized calibration graph was prepared. The reference substances were 4 chloroaniline, 4 methylaniline, N methylaniline, 2 Nitrophenol, Nitrobenzene, 4-Nitrobenzamide , N,N-dimethylbenzamide , N-methylbenzamide , Benzamide , phenanthrene having K_ocvalue ranging from 1.239 to 4.09. The Log K_ocvalue was determined to be 3.259± 0.004 at 25°C. This value indicates the chemical has Strong sorption to soil and sediment and negligible to slow migration potential to ground water

Description of key information

The partition coefficient of test substance disodium 4,4'-[[2,4-dihydroxy-5-(hydroxymethyl)-1,3-phenylene]bis(azo)]bisnaphthalene-1-sulphonate (CAS No.4553-89-3) was determined as per the HPLC method (OECD Guideline-12). The Log Koc value was found to be 3.259± 0.004 at 25°C.

Key value for chemical safety assessment

Koc at 20 °C:

1 815.515

Additional information

Data available for target Disodium 4,4'-[[2,4-dihydroxy-5-(hydroxymethyl)-1,3-phenylene]bis(azo)]bisnaphthalene-1-sulphonate for the endpoint Adsorption are summarized as follows:

In key study, The partition Coefficient n-octanol/water of disodium 4,4'-[[2,4-dihydroxy-5-(hydroxymethyl)-1,3-phenylene]bis(azo)]bisnaphthalene-1-sulphonate (CAS No. 4553-89-3) 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 Kocrange of the test substance and generalized calibration graph was prepared. The reference substances were 4 chloroaniline, 4 methylaniline, N methylaniline, 2 Nitrophenol, Nitrobenzene, 4-Nitrobenzamide , N,N-dimethylbenzamide , N-methylbenzamide , Benzamide , phenanthrene having Kocvalue ranging from 1.239 to 4.09. The Log Koc value was determined to be 3.259± 0.004 at 25°C. This value indicates the chemical has Strong sorption to soil and sediment and negligible to slow migration potential to ground water.

Further supporting the above data, Soil Adsorption Coefficient i.e Log Koc value of Disodium 4,4’-(2,4-dihydroxy-5- hydroxymethyl-1,3-phenylene bis-azo) di- (naphthalene-1-sulfonate) was estimated as 6.4217 (i.e. Koc:2640000 L/kg) by means of MCI method. This indicates that Disodium 4,4’-(2,4-dihydroxy-5- hydroxymethyl-1,3-phenylene bis-azo) di- (naphthalene-1-sulfonate) has very strong sorption to soil and sediment and negligible migration potential to groundwater.

Based on the above data, it is concluded that Disodium 4,4’-(2,4-dihydroxy-5- hydroxymethyl-1,3-phenylene bis-azo) di- (naphthalene-1-sulfonate) has Strong sorption to soil and sediment and negligible to slow migration potential to ground water.

[LogKoc: 3.259]