Biphenyl-2-ol, ethoxylated, esters with acrylic acid

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:

September - October 2017

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

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))

Deviations:

no

GLP compliance:

yes (incl. QA statement)

Type of method:

HPLC estimation method

Media:

soil/sewage sludge

Specific details on test material used for the study:

Test Item Name: MIRAMER M1142
Chemical Name: Biphenyl-2-ol, ethoxylated, esters with acrylic acid
CAS Number: 72009-86-0
EC Number: 500-247-9
Lot No: 170507M97
Receipt Date: 17 July 2017
Reanalysis Date: 06 May 2018
Description: Clear, colourless liquid
Storage Conditions: Ambient, protected from direct sunlight
Purity: 100%

Radiolabelling:

no

Test temperature:

25 degree celcius

Details on study design: HPLC method:

The following conditions were established using a Waters Alliance 2695 liquid HPLC and
Waters 2487 Dual λ UV detector:
Column: Zorbax SB-CN, 75 x 4.6 mm, 3.5 μm
Mobile Phase: 55/45 (v/v) Methanol/Milli-Q water (pH of Milli-Q water
determined to be 5.76)
Flow Rate: 1.0 mL/min
Run Time: 20 min
Detection: UV at 210 nm
Column Temperature: 25°C (Actual recorded temperature = 24.8°C)
Injection Volume: 10 μL (test mixes and standard mix)
1 μL (stock standard and stock test item solutions)
Data Handling: Thermo LabSystems Atlas 2002, Release 1

Duplicate injections (1 μL) of each stock reference compound and individual injections of
each stock test item solutions were performed. Single injections (50 μL) of the mixed
reference compounds and both mixed test item solutions A and B were performed employing
the conditions described above.
The adsorption coefficient was therefore calculated once for each of the two test item
solutions.

Analytical monitoring:

not specified

Details on test conditions:

- Experimental Conditions for Chromatography:
The following conditions were established using a Waters Alliance 2695 liquid HPLC and
Waters 2487 Dual λ UV detector:
Column: Zorbax SB-CN, 75 x 4.6 mm, 3.5 μm
Mobile Phase: 55/45 (v/v) Methanol/Milli-Q water (pH of Milli-Q water
determined to be 5.76)
Flow Rate: 1.0 mL/min
Run Time: 20 min
Detection: UV at 210 nm
Column Temperature: 25°C (Actual recorded temperature = 24.8°C)
Injection Volume: 10 μL (test mixes and standard mix)
1 μL (stock standard and stock test item solutions)
Data Handling: Thermo LabSystems Atlas 2002, Release 1

- Analysis of Samples:
Duplicate injections (1 μL) of each stock reference compound and individual injections of
each stock test item solutions were performed. Single injections (50 μL) of the mixed
reference compounds and both mixed test item solutions A and B were performed employing
the conditions described above.

Key result

Sample No.:

#1

Type:

other: Log10Koc

Value:

>= 2.7 - <= 4.67 dimensionless

Temp.:

25 °C

Matrix:

silica matrix

Remarks on result:

not measured/tested

Details on results (HPLC method):

Mean Retention Time (min):

Compound (min)

Formamide 0.898
Acetanilide 1.253
3,5-Dinitrobenzamide 1.340
Methyl Benzoate 1.629
Naphthalene 2.456
1,2,3-Trichlorobenzene 3.264
Phenanthrene 5.576
4,4'-DDT 17.548

Equation of calibration plot: y = 0.3911x – 0.9093
Correlation coefficient of calibration plot = 0.9714

Slope of line meets column function acceptance in OECD 121 where:
If Log KOC = 3.0; log k' = 0.264
If Log KOC = 2.0; log k' = -0.127

Capacity Factor (k’) and Adsorption Coefficient (KOC) Values for

Mixed Reference Compound Solutions:

Compound	Retention Time (min)	Mean Retention Time (min)	Capacity Factor k’	Log10 k’	Log10 KOC*
Formamide Acetanilide 3,5-Dinitrobenzamide Methyl Benzoate Naphthalene 1,2,3-Trichlorobenzene Phenanthrene 4,4'-DDT	0.898, 0.898 1.253, 1.253 1.340, 1.340 1.629, 1.629 2.456, 2.456 3.264, 3.264 5.576, 5.576 17.540, 17.556	0.898 1.253 1.340 1.629 2.456 3.264 5.576 17.548	0.000 0.395 0.492 0.814 1.735 2.635 5.209 18.541	Un-retained -0.403 -0.308 -0.089 0.239 0.421 0.717 1.268	Un-retained 1.25 2.31 1.80 2.75 3.16 4.09 5.63

* Reference Compound Literature values taken from OECD Guideline 121

Equation of calibration plot: y = 0.3911x – 0.9093

Correlation coefficient of calibration plot = 0.9714

Slope of line meets column function acceptance in OECD 121 where:

If Log KOC = 3.0; log k' = 0.264

If Log KOC = 2.0; log k' = -0.127

 

Determination of Adsorption Coefficient (KOC) Values for MIRAMER

M1142 Test Item Solution Replicate A

Test Item Component	Mean Proportion of Total Area (%)	Mean Log10 KOC	Range (±)	KOC	Range (±)
MIRAMER M1142 Peak 1 MIRAMER M1142 Peak 2 MIRAMER M1142 Peak 3 MIRAMER M1142 Peak 4 MIRAMER M1142 Peak 5	0.9 1.8 95.3 1.4 0.7	2.71 2.76 3.86 4.07 4.67	0.01 0.00 0.01 0.00 0.00	507.1 573.1 7318 11870 46932	4.7 2.8 16 14 16

* Values calculated from equation of the line presented in Table 1

Validity criteria fulfilled:

yes

Conclusions:

The adsorption coefficient of duplicate determinations of MIRAMER M1142 test item was successfully determined, according to OECD test guideline 121 HPLC estimation method.
Results were as following:
Log10Koc= 2.71 to 4.67; range =±0.01 (major peak = 3.86; 95.3% by peak area)
Koc= 507 to 46932; range =±16 (major peak = 7318; 95.3% by peak area)

Executive summary:

The adsorption coefficient of duplicate determinations of MIRAMER M1142 test item was successfully determined, according to OECD test guideline 121 HPLC estimation method.

Results were as following:

Log10Koc= 2.71 to 4.67; range =±0.01 (major peak = 3.86; 95.3% by peak area)

Koc= 507 to 46932; range =±16 (major peak = 7318; 95.3% by peak area)

Description of key information

The adsorption coefficient of duplicate determinations of MIRAMER M1142 test item was

successfully determined, according to OECD test guideline 121 HPLC estimation method.

The results were as followed:

Log10Koc= 2.71 to 4.67; range =±0.01 (major peak = 3.86; 95.3% by peak area)

Koc= 507 to 46932; range =±16 (major peak = 7318; 95.3% by peak area)

Key value for chemical safety assessment

Koc at 20 °C:

7 244