1,1,1"((methylsilanetriyl)tris)(oxy))tris(2-methylpropan-2-amine)

Adsorption / desorption

Link to relevant study record(s)

Reference

Endpoint:

adsorption / desorption: screening

Type of information:

experimental study

Adequacy of study:

key study

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

guideline study with acceptable restrictions

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

Radiolabelling:

no

Test temperature:

25°C

Details on study design: HPLC method:

EQUIPMENT
- Apparatus: Agilent Technologies,1260 Infinity II, HPLC
- Type: Reverse Phase
- Type, material and dimension of analytical (guard) column: Waters sperisorb, 4.6*250 mm, 5µ
- Detection system: Variable wavelength detector

MOBILE PHASES
- Type: Methanol: Water (55:45)
- Experiments with additives carried out on separate columns: no
- Solutes for dissolving test and reference substances: Methanol

DETERMINATION OF DEAD TIME
- Method: Formamide (at concentration of 400 mg/L) was used as an unretained compound for the determination of the “dead time” t0.

REFERENCE SUBSTANCES
- Identity: Provided in additional information

DETERMINATION OF RETENTION TIMES
- Quantity of test substance introduced in the column: 3.84 µg/10µl
- Quantity of reference substances: 3.84 µg/10µl


REPETITIONS
- Number of determinations: Two

EVALUATION
- Calculation of capacity factors k': details are provided in additional information
- Calculation of retention times:
- Determination of the log Koc value:

Analytical monitoring:

yes

Remarks:

HPLC

Type:

Koc

Value:

2.978 dimensionless

pH:

7.9

Temp.:

25 °C

Remarks on result:

other: Other details not known

Details on results (HPLC method):

- Retention times of reference substances used for calibration: Reference substnces retention timwe was ranging from 2.903 to 6.263
- Details of fitted regression line (log k' vs. log Koc): Y= 3.772x+5.206
- Graph of regression line attached: yes attached
- Average retention data for test substance: 3.653

Table 1: Reference substance

Reference substances	tR1	tR2	Mean tR± S.D.	k'	Log k'	Log Koc
Formamide	2.903	2.903	2.903±0.000	NA	NA	NA
2-Nitrobenzamide	3.203	3.203	3.203±0.000	0.103	-0.986	1.5
Acetanilide	3.327	3.323	3.325±0.003	0.145	-0.838	2.0
Aniline	3.797	3.83	3.8135±0.023	0.313	-0.504	3.5
3,5-Dinitrobenzamide	4.353	4.587	4.47±0.165	0.540	-0.268	4.2
4-Methyl benzyl alcohol	5.040	5.023	5.0315±0.012	0.733	-0.135	4.7
1,2,3-Trichlorobenzene	6.060	6.13	6.095±0.049	1.100	0.041	5.2
Carbendazim	6.100	6.263	6.1815±0.115	1.129	0.053	5.5

 

Table 2: Test chemical Koc estimation

 

Test chemical		k'	Log k'	Log Koc	Mean of Log Koc± S.D
tR1	3.653	0.258	-0.588	2.989	2.978	0.016
tR2	3.643	0.255	-0.594	2.967

Validity criteria fulfilled:

yes

Conclusions:

The Adsorption coefficient of test chemical was determined as per the HPLC method (OECD Guideline-121). The Log Koc value was found to be 2.978±0.016 at 25°C.

Executive summary:

The Adsorption Coefficient (K_oc) of test chemical was determined by the Reverse Phase High Performance Liquid Chromatography (RP-HPLC) method according to OECD Guideline No. 121 Adopted: 22   January 2001 for testing of chemicals. The analysis was performed at constant recommended conditions such as temperature 25°C (Methanol : Water) ratio 55:45 at the flow rate of 1 mL/min at 210 nm. Generalized reference substances were selected from OECD guideline 121. Selected reference substances and test chemical were prepared in methanol with the concentration of 400 mg/L. Both were analyzed on HPLC considering the similar conditions After analyzing on above conditions calibration curve of selected reference substances was prepared to obtain log K_ocvalue.

The reference substances were 2-Nitrobenzamide, Acetanilide, Aniline, 3,5-Dinitrobenzamide, 4-Methyl benzyl alcohol, 1,2,3-Trichlorobenzene and Carbendazim having Log K_ocvalue ranging from 1.5 to 5.5 TheLog K_ocvalue was found to be2.978±0.016at 25°C.

Description of key information

Adsorption and desorption:

The Adsorption Coefficient (K_oc) of test chemical was determined by the Reverse Phase High Performance Liquid Chromatography (RP-HPLC) method according to OECD Guideline No. 121 Adopted: 22   January 2001 for testing of chemicals. The analysis was performed at constant recommended conditions such as temperature 25°C (Methanol : Water) ratio 55:45 at the flow rate of 1 mL/min at 210 nm. Generalized reference substances were selected from OECD guideline 121. Selected reference substances and test chemical were prepared in methanol with the concentration of 400 mg/L. Both were analyzed on HPLC considering the similar conditions After analyzing on above conditions calibration curve of selected reference substances was prepared to obtain log K_ocvalue.

The reference substances were 2-Nitrobenzamide, Acetanilide, Aniline, 3,5-Dinitrobenzamide, 4-Methyl benzyl alcohol, 1,2,3-Trichlorobenzene and Carbendazim having Log K_ocvalue ranging from 1.5 to 5.5 TheLog K_ocvalue was found to be2.978±0.016at 25°C.

Key value for chemical safety assessment

Koc at 20 °C:

2.978

Additional information

Adsorption and desorption:

The Adsorption Coefficient (K_oc) of test chemical was determined by the Reverse Phase High Performance Liquid Chromatography (RP-HPLC) method according to OECD Guideline No. 121 Adopted: 22   January 2001 for testing of chemicals. The analysis was performed at constant recommended conditions such as temperature 25°C (Methanol : Water) ratio 55:45 at the flow rate of 1 mL/min at 210 nm. Generalized reference substances were selected from OECD guideline 121. Selected reference substances and test chemical were prepared in methanol with the concentration of 400 mg/L. Both were analyzed on HPLC considering the similar conditions After analyzing on above conditions calibration curve of selected reference substances was prepared to obtain log K_ocvalue.

The reference substances were 2-Nitrobenzamide, Acetanilide, Aniline, 3,5-Dinitrobenzamide, 4-Methyl benzyl alcohol, 1,2,3-Trichlorobenzene and Carbendazim having Log K_ocvalue ranging from 1.5 to 5.5 TheLog K_ocvalue was found to be2.978±0.016at 25°C.

Adsorption and desorption  of the test chemical was done using the KOCWIN of EPI Suite, which was estimated to be 2.311 l/kg