4-chloro-N-methylpiperidine

Adsorption / desorption

Link to relevant study record(s)

Reference

Endpoint:

adsorption / desorption: screening

Type of information:

experimental study

Adequacy of study:

key study

Study period:

25-03-2017 - 25-03-2017

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

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:

To determine Adsorption coefficient (KOC) on soil and on sewage sludge of the 4-chloro-N-methylpiperidine (CAS No. 5570-77-4) using HPLC.

GLP compliance:

no

Type of method:

HPLC estimation method

Media:

soil/sewage sludge

Specific details on test material used for the study:

- IUPAC name: 4-chloro-1-methylpiperidine
- Molecular formula: C6H12ClN
- Molecular weight: 133.621 g/mol
- Smiles notation: N1(CCC(CC1)Cl)C
- InChl: 1S/C6H12ClN/c1-8-4-2-6(7)3-5-8/h6H,2-5H2,1H3
- Substance type: Organic
- Physical state: Liquid
- Physical Appearance: colourless to pale yellow liquid
- Purity: 99.64% (by GC)

SOURCE OF TEST MATERIAL
- Source and lot/batch No.of test material: CNMCP/RD17010
- Expiration date of the lot/batch: 19-01-18

STABILITY AND STORAGE CONDITIONS OF TEST MATERIAL
- Storage condition of test material: Ambient Temp (23 to 27 °C) (Keep container tightly closed in a dry & wellventilated place. Store in cool place. Do not expose to air, light & moisture.)
- Stability under test conditions: Stable in recommended storage conditions

Radiolabelling:

not specified

Test temperature:

25°C

Details on study design: HPLC method:

The solutions of the test substance and reference substances were prepared in appropriate solvents. 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, 3.5 μm
- Mobile phase : Acetonitrile: 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:

- Concentrations: 416 mg/l
- Sampling interval: A test item solution was prepared by accurately measuring 4 μL of test item and diluted with acetonitrile up to 10 ml. Thus, the test solution concentration was 416 mg/l. The pH of test substance was 8.48.

Key result

Type:

log Koc

Value:

1.854 dimensionless

pH:

8.48

Temp.:

25 °C

Remarks on result:

other: Log Koc value reported as 1.8537 ± 0.0093

Details on results (HPLC method):

The Adsorption coefficient (KOC) on soil and on sewage sludge of the 4-chloro-N-methylpiperidine (CAS No. 5570-77-4)was found to be 1.8537 ± 0.0093 at 25°C.

Transformation products:

not specified

Test substance 4-chloro-N-methylpiperidine		K	LogK	Log Koc by Generalized Calibration Graph	Mean of Log Koc ± S.D.
tR1	1.27	0.4318	-0.3647	1.8471	1.8537 ± 0.0093
tR2	1.281	0.4442	-0.3524	1.8603

Validity criteria fulfilled:

yes

Conclusions:

The Adsorption Coefficient of test substance 4-chloro-N-methylpiperidine (CAS No. 5570-77-4)was determined as per the HPLC method (OECD Guideline-121). The Log Koc value was determined to be 1.8537 ± 0.0093 at 25°C.

Executive summary:

The adsorption coefficient Koc in soil and in sewage sludge 4-chloro-1-methylpiperidine (CAS No.5570 -77 -4) was determined by the Reverse Phase High Performance Liquid Chromatographic method according to OECD Guideline No. 121 for testing of Chemicals.The solutions of the test substance and reference substances were prepared in appropriate solvents. A test item solution was prepared by accurately measuring 4 μL of test item and diluted with acetonitrile up to 10 ml. Thus, the test solution concentration was 416 mg/l. The pH of test substance was 8.48. 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. The reference substances were chosen according to estimated Koc range of the test substance and generalized calibration graph was prepared. The reference substances were having Koc value ranging from 1.25 to 4.09. The Log Koc value was determined to be 1.8537 ± 0.0093 at 25°C. This log Koc value indicates that the substance 4-chloro-1-methylpiperidine has a low sorption to soil and sediment and therefore have moderate migration potential to ground water.

Description of key information

The adsorption coefficient Koc in soil and in sewage sludge 4-chloro-1-methylpiperidine (CAS No.5570 -77 -4) was determined by the Reverse Phase High Performance Liquid Chromatographic method according to OECD Guideline No. 121 for testing of Chemicals (Sustainability Support Services (Europe) AB, Report no. 5570-77-4/01/2017/Koc, 2017).The solutions of the test substance and reference substances were prepared in appropriate solvents. A test item solution was prepared by accurately measuring 4 μL of test item and diluted with acetonitrile up to 10 ml. Thus, the test solution concentration was 416 mg/l. The pH of test substance was 8.48. 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. The reference substances were chosen according to estimated Koc range of the test substance and generalized calibration graph was prepared. The reference substances were having Koc value ranging from 1.25 to 4.09. The Log Koc value was determined to be 1.8537 ± 0.0093 at 25°C. This log Koc value indicates that the substance 4-chloro-1-methylpiperidine has a low sorption to soil and sediment and therefore have moderate migration potential to ground water.

Key value for chemical safety assessment

Koc at 20 °C:

71.4

Additional information

The adsorption coefficient Koc in soil and in sewage sludge 4-chloro-1-methylpiperidine (CAS No.5570 -77 -4) was determined by the Reverse Phase High Performance Liquid Chromatographic method according to OECD Guideline No. 121 for testing of Chemicals (Sustainability Support Services (Europe) AB, Report no. 5570-77-4/01/2017/Koc, 2017).The solutions of the test substance and reference substances were prepared in appropriate solvents. A test item solution was prepared by accurately measuring 4 μL of test item and diluted with acetonitrile up to 10 ml. Thus, the test solution concentration was 416 mg/l. The pH of test substance was 8.48. 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. The reference substances were chosen according to estimated Koc range of the test substance and generalized calibration graph was prepared. The reference substances were having Koc value ranging from 1.25 to 4.09. The Log Koc value was determined to be 1.8537 ± 0.0093 at 25°C. This log Koc value indicates that the substance 4-chloro-1-methylpiperidine has a low sorption to soil and sediment and therefore have moderate migration potential to ground water.

[LogKoc: 1.8537]