1-methylpiperidin-4-ol

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:

21-04-2017 - 21-04-2017

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Justification for type of information:

Experimental result performed using standard methods of analysis

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 1-methylpiperidin-4-ol (CAS No. 106-52-5) using HPLC.

GLP compliance:

no

Type of method:

HPLC estimation method

Media:

soil/sewage sludge

Specific details on test material used for the study:

- Name of test material (as cited in study report): 1-methylpiperidin-4-ol
- Molecular formula: C6H13NO
- Molecular weight: 115.175 g/mol
- Substance type: Organic
- Physical state: colourless to pale yellow liquid

SOURCE OF TEST MATERIAL
- Batch No.of test material: CNMHP/RD/17001
- Expiration date of the lot/batch: 20-07-17
- Purity test date:99.73%(by GC)

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 & well ventilated place. Store in cool place. Do not expose to air, light & moisture.)
- Stability under test conditions: Stable in recommended storage conditions

Radiolabelling:

no

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 : ACN: water (55:45)
Temperature : 25°C
Detector : Diode Array Detector @210nm
Injector : Autosampler
Injector volume : 10μl
Data Acquisition software : ChemStationOpen lab Control Panel

Details on sampling:

- Concentrations: 392 mg/l
- Sampling interval: A test item solution was prepared by accurately weighing 4 mg of test item and diluted with ACN up to 10 ml.
Thus, the test solution concentration was 392 mg/l. The pH of test substance was 7.98.

Key result

Type:

log Koc

Value:

1.521 dimensionless

pH:

7.89

Temp.:

25 °C

Remarks on result:

other: Log Koc value reported as 1.5212 ± 0.009

Test substance 1-methylpiperidin-4-ol		K	Log k	Log Koc by Generalized Calibration Graph	Mean of Log Koc ± S.D.
tR1	0.699	-0.2120	-0.6738	1.5150	1.5212 ± 0.009
tR2	0.694	-0.2176	-0.6624	1.5273

Validity criteria fulfilled:

yes

Conclusions:

The Adsorption Coefficient of test substance 1-methylpiperidin-4-ol (CAS No. 106-52-5) was determined as per the HPLC method (OECD Guideline-121). The Log Koc value was found to be 1.5212 ± 0.009 (Koc 33.20 ) at 25°C.

Executive summary:

The adsorption coefficient Koc in soil and in sewage sludge 1-methylpiperidin-4-ol(CAS No.106-52-5) 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-chloroaniline 4-methylaniline(p-Tolouidine), N-methylaniline, p-toluamide,, 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, phenantrene, Acetanilide having Koc value ranging from 1.25 to 4.09. The Log Koc value was determined to be 1.5212 ± 0.009 at 25°C.

This log Koc value indicates that the substance 1-methylpiperidin-4-ol has a low sorption to soil and sediment and therefore have moderate migration potential to ground water.

Description of key information

Adsorption/ desorption:
The Adsorption Coefficient of test substance 1-methylpiperidin-4-ol (CAS No. 106-52-5) was determined as per the HPLC method (OECD Guideline-121). The Log Koc value was found to be 1.5212 ± 0.009 at 25°C.

Key value for chemical safety assessment

Koc at 20 °C:

33.2

Additional information

Experimental and Predicted data of adsorption endpoint for the target chemical 1-methylpiperidin-4-ol (Cas no. 106-52-5) and its read across chemical were reviewed to summarize as follows:  

The adsorption coefficient Koc in soil and in sewage sludge 1-methylpiperidin-4-ol(CAS No.106-52-5) 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-chloroaniline 4-methylaniline(p-Tolouidine), N-methylaniline, p-toluamide,, 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, phenantrene, Acetanilide having Koc value ranging from 1.25 to 4.09. The Log Koc value was determined to be 1.5212 ± 0.009 at 25°C. This log Koc value indicates that the substance 1-methylpiperidin-4-ol has a low sorption to soil and sediment and therefore has moderate migration potential to ground water.

From predicted model EPI suite 2016 indicate that the soil adsorption coefficient (Koc) value of chemical 1-methylpiperidin-4-ol is estimated to be 4.152 L/kg (log KOC = 0.6182) by means of MCI method at 25 deg.C, indicating that it is has a Negligible sorption to soil and sediment and therefore have rapid migration potential to groundwater.

Whereas from chemspider predicted database the soil adsorption coefficient i.e Koc value of test substance 1-methylpiperidin-4-ol was estimated to be 2.92 L/Kg i.e Log Koc= 0.4653 at pH 7.4. This Koc value indicates that the substance 1-methylpiperidin-4-ol has a Negligible sorption to soil and sediment and therefore have rapid migration potential to groundwater.

And read across Quinuclidin-3-ol (Cas no. 1619-34-7)experimental study from HSDB authorative database indicate that the adsorption coefficient (Koc) of substance 3-quinuclidinol was found to be 8 L/kg (log Koc 0.903) using a structure estimation method based on molecular connectivity indices.This Koc value suggests that 3-quinuclidinol is expected to have very high mobility in soil.

From same source i.e HSDB database the adsorption coefficient (Koc) of read across substance N-methyldiethanolamine (Cas no. 105-59-9) was found to be 1 L/kg (log koc 0) using a structure estimation method based on molecular connectivity indices. This Koc value suggests that N-methyldiethanolamine is expected to have very high mobility in soil.

Thus based on the above all studies it is concluded that the test substance 1-methylpiperidin-4-ol (Cas no. 106-52-5) has a Negligible to slow sorption to soil and sediment i.e have high to moderate mobility to soil/ sediment.

[LogKoc: 1.5212]