1,1'-(1-phenylethane-1,1-diyl)bis[4-(heptyloxy)benzene]

Adsorption / desorption

Link to relevant study record(s)

Reference

Endpoint:

adsorption / desorption, other

Type of information:

experimental study

Adequacy of study:

key study

Study period:

2016-06-27 to 2016-09-02

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

Media:

other: HPLC column, Acquity UPLC HSS Cyano, 100 mm  2.1 mm i.d., dp = 1.8 μm (Waters)

Specific details on test material used for the study:

SOURCE OF TEST MATERIAL
- Batch No.of test material: 16020201
- Expiration date of the batch: 21/03/2021
- Purity: 99.56%
- Purity test date: 01/02/2016

STABILITY AND STORAGE CONDITIONS OF TEST MATERIAL
- Storage condition of test material: Room temperature
- Stability under test conditions: No data
- Solubility and stability of the test substance in the solvent/vehicle: No data
- Reactivity of the test substance with the solvent/vehicle of the cell culture medium: No data

Radiolabelling:

no

Test temperature:

UPLC column temperature 35oC +/- 1oC

Details on study design: HPLC method:

EQUIPMENT
- Apparatus: Acquity UPLC system
- Detection system: Acquity UPLC TUV detector

MOBILE PHASES
- Type: Methanol and Miili-Q purified tap water
- Experiments with additives carried out on separate columns: no
- pH: Neutral
- Solutes for dissolving test and reference substances: methanol

Analytical monitoring:

not required

Type:

Koc

Value:

> 430 000 dimensionless

pH:

7

Key result

Type:

log Koc

Value:

> 5.63 dimensionless

pH:

7

Details on results (HPLC method):

No pKa values for acidic and basic groups in the molecular structure of the substance in the logarithm range of 1 - 14 were calculated. In the chromatogram of the test item solution, one peak with a retention time of 12.0 minutes was observed.
Under the same analytical conditions, the retention time of 4,4’-DDT (log Koc = 5.63) was 6.9 minutes. Hence, it was concluded that the log Koc of substance was > 5.63 (Koc > 4.27x10^(5)).

Substance	Retention time (mins)	KOC	Log KOC
4,4’-DDT (Reference substance)	6.9	-	5.63
4,4'-(1-phenylethane-1,1-diyl)bis(heptyloxybenzene)	12.0	> 4.3 x10^5	> 5.63

Validity criteria fulfilled:

not applicable

Conclusions:

The HPLC method using soil-adsorption-reference data was applied for the determination of the adsorption coefficient (Koc) of 4,4'-(1-phenylethane-1,1-diyl)bis(heptyloxybenzene).
The values of the substance at neutral pH were Koc of >4.3 x 10^5 and a log Koc of >5.63

Executive summary:

A reliable study (Klimisch 1) to determine the adsorption/desorption for 4,4’-(1-phenylethane-1,1-diyl)bis(heptyloxybenzene) at neutral pH gave a measured K_OCof >4.3 x 10⁵and a log K_OCof >5.63. The study was conducted according to OECD test guideline 121, in accordance with GLP.

There were no significant deviations noted to affect the integrity of the study. This study is considered acceptable and satisfies the guideline requirements for an adsorption/desorption test.

Description of key information

A reliable study (Klimisch 1) to determine the adsorption/desorption for 4,4’-(1-phenylethane-1,1-diyl)bis(heptyloxybenzene) at neutral pH showed a measured K_OC of >4.3 x 10^5 and a log K_OC of >5.63.

The test validity criteria were met and there were no significant deviations noted to affect the integrity of the study. This study is considered acceptable and satisfies the guideline requirements for an adsorption/desorption test.

Key value for chemical safety assessment

Koc at 20 °C:

430 000

Additional information

[LogKoc: 5.63]