(octahydro-4,7-methano-1H-indenyl)methyl acrylate

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:

2018-06-01 to 2018-08-08

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

Type of method:

HPLC estimation method

Radiolabelling:

no

Test temperature:

Column temperature: 30ºC

Details on study design: HPLC method:

See "any other information on materials and methods incl. tables".

Analytical monitoring:

no

Details on test conditions:

See "any other information on materials and methods incl. tables".

Key result

Sample No.:

#1

Type:

log Koc

Value:

3.82 dimensionless

pH:

6.7

Temp.:

25 °C

Details on results (HPLC method):

See "any other information on results incl. tables".

Table1Reference items results

Name	Log Koc	Mean retention time (min)	Log k'
Formamide	NA	0,85	NA
Acetanilide	1,25	1,19	-0,39794001
Methyl benzoate	1,80	1,55	-0,08432089
Triadimenol	2,40	2,09	0,16400276
Naphtalene	2,75	2,54	0,29846778
phenanthrene	4,09	5,26	0,71501966
DDT	5,63	13,96	1,18818377

  

Table2Test item results

Measure	Retention time (min)	Log k'	Log Koc	Average Log Koc
1	4,32	0,61091055	3,83	3.82
2	4,34	0,6134065	3,83
3	4,33	0,61216032	3,83
4	4,3	0,60840017	3,82
5	4,3	0,60840017	3,82
6	4,28	0,60587519	3,81

 

 

Structure verification

No response was obtained for the UV peak at 4.3 min when using HPLC/MS operated with ESI or APCI ionisation modes. Even though it was highly likely that this peak corresponds to the test item, this was verified by a series of complementary analyses using GC/MS (not conducted under GLP control). During an HPLC analysis of the test item, a 1 ml fraction was collected into a 2 ml vial (between 4 min and 5 min) at the column exit and EI+ mass spectrums of this peak were checked using GC/MS.

 

The conclusion is that the retention time (12.8 min), the molecular mass (MW=220 g/mol) and the elemental composition (C₁₄H₂₀O₂) correspond to that expected for the test item.

 

 

Calibration curve

The dead time and the retention times, capacity factors (log k_i') and log Koc values for the reference standards are shown inTable1.

Using the capacity factor k’ and the partition coefficient log Koc of the reference items, the following calibration curve was obtained:

 

log Koc = 2.8228 log k’ + 2.1006        r²= 0.9867

 

 

Partition coefficient of the test item

The retention times and log Koc values determined for the test item are shown in Table2.

  

Quality criteria

The definitive test met the validity criteria of the test guideline detailed as follows: the value of log Koc derived from individual measurements made under identical conditions and using the same set of reference substances fell within a range of +/- 0.25 log units. The test is thus considered as valid.

Validity criteria fulfilled:

yes

Conclusions:

The adsorption coefficient (log Koc) of the test item is 3.82.

Executive summary:

The purpose of the study was to determinethe adsorption coefficient (Koc) of the test item using the HPLC-method.

 

The value of log Koc derived from individual measurements made under identical conditions and using the same set of reference substances fell within a range of +/- 0.25 log units. The test is thus considered as valid. The adsorption coefficient (log Koc) of the test item is 3.82.

Description of key information

The adsorption coefficient (Koc) of the test substance was determined in an experimental study performed in accordance with the OECD 121 test guideline (HPLC method) and GLP requirements.

The log Koc of the test substance is 3.82, equivalent to 6606 L/kg.

Key value for chemical safety assessment

Koc at 20 °C:

6 606