Reaction mass of Methanaminium, N-[4-[[4-(dimethylamino)phenyl]phenylmethylene]-2,5-cyclohexadien-1-ylidene]-N-methyl- & acetate

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 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))

Principles of method if other than guideline:

Adsorption coefficient of test chemical Reaction mass of Methanaminium, N-[4-[[4-(dimethylamino)phenyl]phenylmethylene]-2,5-cyclohexadien-1-ylidene]-N-methyl- & acetate was determined by using HPLC method.

GLP compliance:

not specified

Type of method:

HPLC estimation method

Media:

soil/sewage sludge

Specific details on test material used for the study:

- Name of test material: Reaction mass of Methanaminium, N-[4-[[4-(dimethylamino)phenyl]phenylmethylene]-2,5-cyclohexadien-1-ylidene]-N-methyl- & acetate- Molecular formula: C25H28N2O2- Molecular weight: 388.508 g/mole- Smiles : [N+](=C1/C=CC(\C=C1)=C(\c1ccccc1)c1ccc(cc1)N(C)C)(\C)C.C(C)(=O)[O-]- Inchl: 1S/C23H25N2.C2H4O2/c1-24(2)21-14-10-19(11-15-21)23(18-8-6-5-7-9-18)20-12-16-22(17-13-20)25(3)4;1-2(3)4/h5-17H,1-4H3;1H3,(H,3,4)/q+1;/p-1- Substance type: Organic- Physical state: maroon lustrous liquid

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 InfinityFlow Rate : 1.0ml/minColumn : ZORBAX Eclipse Plus C18, 4.6×100mm, 3.5 μmMobile phase : Acetonitrile : water (55:45)Temperature : 25°CDetector : Diode Array Detector @210nmInjector : AutosamplerInjector volume : 10μlData Acquisition software : ChemStationOpen lab Control Panel

Analytical monitoring:

not specified

Key result

Sample No.:

#1

Type:

log Koc

Value:

2.11 dimensionless

Temp.:

25 °C

Remarks on result:

other: other details not specified

Details on results (HPLC method):

The Adsorption coefficient (KOC) on soil and on sewage sludge of the test Reaction mass of Methanaminium, N-[4-[[4-(dimethylamino)phenyl]phenylmethylene]-2,5-cyclohexadien-1-ylidene]-N-methyl- & acetate was fdetermined to be 2.11 dimensionless at 25°C

Transformation products:

not specified

Reference substance	Log Koc	Rt1	Rt2	Rt3	Mean Rt ± S.D.	k	Log k
Urea	NA	0.887	0.887	0.888	0.887 ±0.001	0	0
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
Aniline	2.07	1.513	1.495	NA	1.504±0.013	0.6956	-0.1576
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

Test substance		K	Logk	Log Pow by Calibration Graph	Mean of Log KOC ±S.D
Rt1	1.920	1.165	0.066	2.114	2.114± 0.001
Rt2	1.915	1.159	0.064	2.113

Validity criteria fulfilled:

yes

Conclusions:

The Adsorption Coefficient of test substance Reaction mass of Methanaminium, N-[4-[[4-(dimethylamino)phenyl]phenylmethylene]-2,5-cyclohexadien-1-ylidene]-N-methyl- & acetate was determined as per the HPLC method (OECD Guideline-121). The Log Koc value was determined to be 2.11 dimensionless at 25°C. Thus based on the result it is concluded that the test substance Reaction mass of Methanaminium, N-[4-[[4-(dimethylamino)phenyl]phenylmethylene]-2,5-cyclohexadien-1-ylidene]-N-methyl- & acetate has a low sorption to soil and sediment and therefore has moderate migration potential to ground water.

Executive summary:

The adsorption coefficient Koc in soil and in sewage sludge of test chemical Reaction mass of Methanaminium, N-​[4-​[[4-​(dimethylamino)​phenyl]​phenylmethylene]​-​2,​5-​cyclohexadien-​1-​ylidene]​-​N-​methyl-​ & acetate was determined by the Reverse Phase High Performance Liquid Chromatographic method according to OECD Guideline No. 121 . 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), N-methylaniline, Aniline, Xylene, Ethylbenzene, Toluene, Naphthalene having Koc value ranging from 1.9 to 2.75. The Log Koc value was determined to be 2.11 dimensionless at 25°C.Thus based on the result it is concluded that the test substance has a low sorption to soil and sediment and therefore has moderate migration potential to ground water.

Description of key information

The adsorption coefficient Koc in soil and in sewage sludge of test chemical Reaction mass of Methanaminium, N-​[4-​[[4-​(dimethylamino)​phenyl]​phenylmethylene]​-​2,​5-​cyclohexadien-​1-​ylidene]​-​N-​methyl-​ & acetate was determined by the Reverse Phase High Performance Liquid Chromatographic method according to OECD Guideline No. 121 . 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), N-methylaniline, Aniline, Xylene, Ethylbenzene, Toluene, Naphthalene having Koc value ranging from 1.9 to 2.75. The Log Koc value was determined to be 2.11 dimensionless at 25°C.Thus based on the result it is concluded that the test substance has a low sorption to soil and sediment and therefore has moderate migration potential to ground water.

Key value for chemical safety assessment

Koc at 20 °C:

129

Additional information

The adsorption coefficient Koc in soil and in sewage sludge of test chemicalReaction mass of Methanaminium, N-​[4-​[[4-​(dimethylamino)​phenyl]​phenylmethylene]​-​2,​5-​cyclohexadien-​1-​ylidene]​-​N-​methyl-​ & acetate was determined by the Reverse Phase High Performance Liquid Chromatographic method according to OECD Guideline No. 121 . 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), N-methylaniline, Aniline, Xylene, Ethylbenzene, Toluene, Naphthalene having Koc value ranging from 1.9 to 2.75. The Log Koc value was determined to be 2.11 dimensionless at 25°C.Thus based on the result it is concluded that the test substance has a low sorption to soil and sediment and therefore has moderate migration potential to ground water.

[LogKoc: 2.11]