4-phenylbenzophenone

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:

06 July to 19 September 2017 (experimental dates)

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))

Version / remarks:

22/01/2001

Deviations:

no

GLP compliance:

yes (incl. QA statement)

Type of method:

HPLC estimation method

Media:

other: n-octanol/water partition coefficient

Specific details on test material used for the study:

SOURCE OF TEST MATERIAL
- Batch No.of test material: 20161118
- Expiration date of the lot/batch: 17/11/2017
- Purity test date: 18/11/2016
- Purity: 99.74%
-Appearance: white to off white crystaline powder.

STABILITY AND STORAGE CONDITIONS OF TEST MATERIAL
- Storage condition of test material: Room temperature protected from light
- Stability under test conditions: No data

TREATMENT OF TEST MATERIAL PRIOR TO TESTING
- Treatment of test material prior to testing: Not applicable
- Preliminary purification step (if any):

Radiolabelling:

no

Test temperature:

35oC

Details on study design: HPLC method:

EQUIPMENT
- Apparatus: Acquity UPLC system
- Type, material and dimension of analytical (guard) column: Acquity UPLC BEH C18 (100mm x 2.1 mm id)
- Detection system: Acquity UPLC TUV

MOBILE PHASES
- Type: Methanol:water, 55:45 v/v
- Experiments with additives carried out on separate columns: no
- pH: neutral
- Solutes for dissolving test and reference substances:

DETERMINATION OF DEAD TIME
- Method: by inert substances which are not retained by the column

REFERENCE SUBSTANCES
Acetanilide (99.8%)
Monuron (99.9%)
2,5-dichloroaniline (99.9%)
Naphthalene (99.5%)
Benzoic acid phenylester (99.9%)
Fenthion (97.5%)
4,4-DDT (98.7%)

DETERMINATION OF RETENTION TIMES
- Quantity of test substance introduced in the column: 5 uL of ~1 g/L
- Quantity of reference substances: 5 uL of 10 mg/L (nominal)
- Intervals of calibration: No data

REPETITIONS
- Number of determinations: duplicate injections

EVALUATION
- Calculation of capacity factors k':
- Calculation of retention times:
- Determination of the log Koc value:

Analytical monitoring:

no

Details on sampling:

Not applicable

Details on matrix:

Not applicable

Details on test conditions:

Not applicable

Key result

Sample No.:

#1

Type:

Koc

Value:

>= 37 000 dimensionless

Temp.:

35 °C

Key result

Sample No.:

#1

Type:

log Koc

Value:

>= 4.57 dimensionless

Temp.:

35 °C

Details on results (HPLC method):

- Retention times of reference substances used for calibration:
Substance Retention time (min)
T1 T2 Mean
Acetanilide 0.903 0.903
Monuron 1.100 1.100
2,5-Dichloroaniline 1.246 1.246
Naphthalene 1.442 1.442
Benzoic acid phenylester 1.690 1.687
Fenthion 2.231 2.233
Phenanthrene 2.470 2.468
4,4’-DDT 5.901 5.878

- Details of fitted regression line (log k' vs. log Koc): least squares method
- Average retention data for test substance: 3.442 mins

Transformation products:

not measured

Substance	Purity (%)	Retention time (min)			log Koc	Koc
		T1	T2	Mean
Formamide (t0)	99.2%	0.694	0.693	0.694
Acetanilide	99.8%	0.903	0.903		1.26
Monuron	99.9%	1.100	1.100		1.99
2,5-Dichloroaniline	99.9%	1.246	1.246		2.55
Naphthalene	99.5%	1.442	1.442		2.75
Benzoic acid phenylester	99.9%	1.690	1.687		2.87
Fenthion	97.5%	2.231	2.233		3.31
Phenanthrene	98.1%	2.470	2.468		4.09
4,4’-DDT	98.7%	5.901	5.878		5.63
Test item	99.7	3.439	3.445	3.442	4.57	3.7´10^4

Validity criteria fulfilled:

yes

Conclusions:

At neutral pH the Koc was determined to be 3.7 x 10'4 and the log Koc was 4.57

Executive summary:

A study was performed to assess the adsorption coefficient of the test substance according to the OECD guideline 121 (Partition coefficient (n-octanol/water) by high performance liquid chromatography (HPLC) method), in compliance with GLP. Linear regression analysis using the least squares method was used. The log Koc value to the test substance was calculated by substituting the mean log k’ in the calibration curve. The calibration curve was calculated using linear regression method.

At neutral pH, the Koc was determined to be 3.7 x 10⁴and the log Koc was 4.57.

All acceptability criteria were met, therefore, this study was considered to be valid.

Description of key information

A reliable and valid study was performed to assess the adsorption coefficient of the test substance according to the OECD guideline 121 (Partition coefficient (n-octanol/water) by high performance liquid chromatography (HPLC) method). At neutral pH, at 35 ˚C the Koc was determined to be 37,000 and the log Koc was 4.57.

Key value for chemical safety assessment

Koc at 20 °C:

4.57