2,2',6,6'-Tetrabromo-4,4'-isopropylidenediphenol, oligomeric reaction products with 1-chloro-2,3-epoxypropane

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:

30/07/2012-05/10/2012

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

other: GLP comparable to OECD guideline

Reason / purpose for cross-reference:

reference to same 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))

Qualifier:

according to guideline

Guideline:

EU Method C.19 (Estimation of the Adsorption Coefficient (KOC) on Soil and Sewage Sludge Using High Performance Liquid Chromatography (HPLC))

Principles of method if other than guideline:

/

GLP compliance:

yes

Type of method:

HPLC estimation method

Media:

soil/sewage sludge

Specific details on test material used for the study:

Details on properties of test surrogate or analogue material (migrated information):
/

Radiolabelling:

no

Test temperature:

40°C

Details on study design: HPLC method:

EQUIPMENT
- Apparatus: Agilent Series 1100/1200 HPLC
- Type, material and dimension of analytical (guard) column:Zorbax CN column (150 mm x 4.6 mm x 5 µm particle size)
- Detection system: Agilent Series 1200 varibale wavelength UV detector

MOBILE PHASES
- Type: Gradient mobile phase consisting of HPLC-grade Reagent Water and methanol (Initial 55% MeOH, 45% H2O).
- Experiments with additives carried out on separate columns: no
- pH:6
- Solutes for dissolving test and reference substances:Test substance in acetonitrile, Reference substances in acetonitrile or methanol

DETERMINATION OF DEAD TIME
- Method:by inert substances which are not retained by the column (injection of thiourea)

REFERENCE SUBSTANCES
- Identity: Bromobenzene, napthalene (99%), 1,2,4-trichlorobenzene, phenanthrene (98%), 1,1-Bis(4-chlorophenyl)-2,2,2-trichloroethane (98% 4,4 DDT)

DETERMINATION OF RETENTION TIMES
- Quantity of test substance introduced in the column:10.0 mg/L and 50.0 mg/L
- Quantity of reference substances: 10-40 mg/L
- Intervals of calibration: none

REPETITIONS
- Number of determinations:3 at a concentration of 10.0 mg/L

EVALUATION
- Calculation of capacity factors k': k' = (tR-t0)/t0 where tR: retention time of the test substance or reference standard peak and t0: column dead time
- Determination of the log Koc value: calculated as follows:
log Koc = (log k' - Y intercept)/slope

Type:

log Koc

Value:

5.33

Temp.:

40 °C

Remarks on result:

other: First peak

Type:

log Koc

Value:

> 5.63

Temp.:

40 °C

Remarks on result:

other: second peak

Type:

log Koc

Value:

> 5.63

Temp.:

40 °C

Remarks on result:

other: Third peak

Details on results (HPLC method):

- Retention times of reference substances used for calibration:
Thiourea: 1.956-1.960 min
Acetanilide: 2.566-2.624 min
Phenol: 2.695-2.688 min
Bromobenzene: 4.408-4.550 min
Napthalene: 5.377-5.445 min
1,2,4-TCB: 6.222-6.579 min
Phenanthrene: 9.815-10.409 min
- Details of fitted regression line (log k' vs. log Koc): R²= 0.9674, y=0.3359x-0.7650
- Graph of regression line attached: yes
- Average retention data for test substance: Peak 1: 22.72 min, Peak 2: 33.92 min, Peak 3: 34.23 min

Validity criteria fulfilled:

yes

Conclusions:

Under the chromatographic conditions specified, Brominated Epoxy eluted as three discrete peaks. According to the Sponsor, the test substance is a mixture in which the main component is n = 1. The mean log KOC for the first test substance peak (n = 1) was determined to be 5.33 ± 0.011 log units (N = 3, CV = 0.21%). The mean log KOC for the second and third test substance peaks (n = 2 and 3, respectively) were both determined to be greater than 5.63 using the HPLC estimation method.

Description of key information

log Koc for brominated Epoxy

Key value for chemical safety assessment

Koc at 20 °C:

213 796

Additional information

Under the chromatographic conditions specified, Brominated Epoxy eluted as three discrete peaks. The mean log Koc for the first test substance peak was determined to be 5.33 ± 0.011 log units (N = 3, CV = 0.21%). The mean log Koc for the second and third test substance peaks were both determined to be greater than 5.63 using the HPLC estimation method.

[LogKoc: 5.33]