Benzyl benzoate

Adsorption / desorption

Link to relevant study record(s)

Reference

Endpoint:

adsorption / desorption: screening

Type of information:

experimental study

Adequacy of study:

key study

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

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))

Deviations:

no

GLP compliance:

yes (incl. QA statement)

Type of method:

HPLC estimation method

Media:

other: Acetonitrile

Radiolabelling:

no

Test temperature:

40 °C

Details on study design: HPLC method:

The Koc was determined by HPLC. The test item was disolved in acetonitrile. The concentration of the test item after dilution with acetonitrile to the measuring concentration was 0.08mg/mL.
Calibration substances were dissolved in a mixture of 10% water and 90% acetonitrile. Concentrations of calibration substances wee between 0.02 mg/mL and 0.08 mg/mL.
The solution for the determination of the dead time was prepared by dissolving sodium nitrate in a mixture of 10% water and 90% acetonitrile. The final concentration of the sodium nitrate solution was 0.05 mg/mL.


The HPLC parameters were as follows:

Equipment: HPLC Agilent 1200
Column: LiChrospher 100 CN, 250 mm length, 4 mm internal diameter, 5 μm particle size
Eluent: 416 ml water + 84 ml Buffer pH 6 + 500 ml acetonitrile
Flow: 1 ml/min
Column temperature: 40 °C
Injection volume: 3 μL
Detector: UV, 220 nm

Type:

log Koc

Value:

3.8

Temp.:

40 °C

Details on results (HPLC method):

The retention time on test 1 was 4.520 minutes, on test 2 was 4.519 minutes, and on test 3 was 4.519 minutes. The mean retention time was 4.519 minutes. Based on the results obtained using the recommended reference substances, the log Koc of benzyl benzoate was calculated to be 3.8 (Koc=6310 L/kg).

Transformation products:

not measured

Statistics:

Capacity factor k’ = (tR – t0) / t0
tR: retention time of the substance t0: dead time

Effective correlation log k’ = a + b log Koc
Linear regression gives:
a = - 0.4426
b = 0.1723
r = 0.9780
where a and b are the regression factors and r is the correlation factor.

Table 1: Test item Koc

Test item	Retention time tr in min	Capacity factor k'	log k'	Log Koc
Benzyl benzoate	4.519	1.608	0.206	3.8

Table 2: Test item retention times

Test item	Retention time tr in min Test 1	Retention time tr in min Test 2	Retention time tr in min Test 3	Retention time tr in min Mean value
Benzyl benzoate	4.520	4.519	4.519	4.519

Table 3: Results for calibration substances

Calibration substance	Retention time tr in min	Capacity factor k'	log k	Log Koc*
Sodium nitrate (dead time)	1.733	-	-	-
2 -Nitrobenzamide	2.787	0.608	-0.216	1.45
3,5 -Dinitrobenzamide	3.075	0.774	-0.111	2.31
Triazoxide	3.706	1.139	0.057	2.44
Phenanthrene	4.993	1.881	0.275	4.09
Diclofop-methyl	5.359	2.093	0.321	4.20
9,10 -Dimethylbenzantrancene	6.510	2.757	0.441	5.37**

*OECD guidelines for testing chemicals no. 121, table 3, recommended reference substances.

**Chemosphere, Vol 17 No. 9, 1703 (1988)

Validity criteria fulfilled:

yes

Conclusions:

The log Koc of benzyl benzoate was founf to be 3.8 (Koc = 6310).

Executive summary:

An OECD 121 test was conducted to determine the adsorption coefficient of benzyl benzoate by HPLC. The test item was dissolved in acetonitrile to a measuring concentration of 0.08 mg/mL. For determination of dead time a sodium nitrate solution was used.

Based on a mean retention time of 4.519 minutes, the log Koc was calculated to be 3.8 (Koc= 6310 L/kg).

Description of key information

In an OECD 121 HPLC test the log Koc was found to be 3.8.

Key value for chemical safety assessment

Koc at 20 °C:

6 310

Additional information

The results of an OECD 121 HPLC test show that benzyl benzoate has a log Koc of 3.8 (Koc= 6310 L/kg). This indicates that the substance will be of low mobility in soils and sediment.

[LogKoc: 3.8]