N-(2-chloroethyl)pyrrolidine hydrochloride

Adsorption / desorption

Administrative data

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

Data source

Reference

Reference Type:

study report

Title:

Unnamed

Year:

2018

Report date:

2018

Materials and methods

Test guideline

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 1-(2-chloroethyl)pyrrolidine hydrochloride (CAS No: 7250-67-1) was determined by using HPLC method.

GLP compliance:

no

Type of method:

HPLC estimation method

Media:

soil/sewage sludge

Test material

Test material information

Constituent 1

Reference substance name:

N-(2-chloroethyl)pyrrolidine hydrochloride

EC Number:

230-660-7

EC Name:

N-(2-chloroethyl)pyrrolidine hydrochloride

Cas Number:

7250-67-1

Molecular formula:

C6H12ClNClH

IUPAC Name:

1-(2-chloroethyl)pyrrolidine hydrochloride

Test material form:

solid: crystalline

Details on test material:

- Name of test material (as cited in study report): 1-(2-Chloroethyl)pyrrolidine hydrochloride
- Molecular formula (if other than submission substance):C6H12ClN.HCl
- Molecular weight (if other than submission substance): 170.08 g/mole
- Smiles notation (if other than submission substance): N1(CCCl)CCCC1.Cl
- InChl (if other than submission substance): FSNGFFWICFYWQC-UHFFFAOYSA-N
- Substance type: Organic
- Physical state: Solid

Radiolabelling:

no

Study design

Test temperature:

25°C

HPLC method

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

Batch equilibrium or other method

Analytical monitoring:

not specified

Results and discussion

Adsorption coefficient

Key result

Sample No.:

#1

Type:

log Koc

Value:

2.278 dimensionless

Temp.:

25 °C

Remarks on result:

other: The Log Koc value was considered to be 2.278± 0.000at 25°C

Results: HPLC method

Details on results (HPLC method):

The Adsorption coefficient (KOC) on soil and on sewage sludge of the test chemical was determined to be 2.278± 0.000at 25°C at 25°C

Results: Batch equilibrium or other method

Transformation products:

not specified

Any other information on results incl. tables

Table: 1

Reference substance	Log Koc	Rt1	Rt2	Rt3	Mean Rt ± S.D.	k	Log k
Urea	NA	0.887	0.887	0.888	0.887±0.000	0	0
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-naphthylamine	3.51	2.389	2.393	NA	2.391±0.003	1.6956	0.2293
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
Phenol	1.32	1.455	1.455	NA	1.455±0.000	0.6404	-0.1936
N,N dimethylbenzamide	1.52	1.287	1.288	NA	1.2875±0.001	0.4515	-0.3453
3,5-dinitrobenzamide	2.31	1.308	1.311	NA	1.3095±0.002	0.4763	-0.3221
N-methylbenzamide	1.3	1.175	1.174	NA	1.1745±0.001	0.3241	-0.4893
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
DDT	5.63	61.125	59.008	NA	60.0665±1.497	66.7187	1.8242

 

Table 2:

Test substance		K	Log k	Log Koc by Generalized Calibration Graph	Mean of Log Koc ± S.D
Rt1	1.842	1.077	0.032	2.277	2.278± 0.000
Rt2	1.843	1.078	0.033	2.278

 

 

Applicant's summary and conclusion

Validity criteria fulfilled:

yes

Conclusions:

The Adsorption Coefficient of test substance 1-(2-chloroethyl)pyrrolidine hydrochloride (CAS No: 7250-67-1) was determined as per the HPLC method (OECD Guideline-121). The Log Koc value was determined to be 2.278± 0.000 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.

Executive summary:

The adsorption coefficient Koc in soil and in sewage sludge N-(2-chloroethyl)pyrrolidine hydrochloride(CAS No.7250-67-1) 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, ptoluamide, Aniline, 2,5-Dichloroaniline, 4-nitrophenol, 2 - nitrophenol, 2-nitrobenzamide, 3-nitrobenzamide, Nitrobenzene, 4-Nitrobenzamide, 1-naphthylamine, 1-naphtol, Direct Red 81, Benzoic acid methylester, Carbendazim, Benzoic acid phenylester, Xylene, Ethylbenzene, Toluene, Naphthalene, 1,2,3-trichlorobenzene, Pentachlorophenol, Phenol, N,N-dimethylbenzamide, 3,5-dinitrobenzamide, N-methylbenzamide, Benzamide, phenanthrene, DDT having Koc value ranging from 1.25 to 5.63 The Log Koc value was determined to be 2.278± 0.000at 25°C. Thus based on the result it is concluded that the test substance has a lowsorption to soil and sedimentand therefore hasmoderatemigration potential to ground water.