(trans(trans))-4'-but-3-enyl-4-(4-methylphenyl)-bicyclohexyl

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:

from 2006-03-30 to 2006-05-08

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))

Version / remarks:

2001

Deviations:

no

GLP compliance:

yes (incl. QA statement)

Type of method:

HPLC estimation method

Radiolabelling:

no

Test temperature:

25 °C

Details on study design: HPLC method:

REAGENTS
- Methanol, Chromasolv, Riedel de Haen
- Acetonitrile.Chromasolv, Riedel de Haen
- Cleaned water (laboratory equipment) Distilled water, Roth
- Dead time marker: Formamide, Merck
- Calibration substances

INSTRUMENTS
- Chromatographic apparatus
- Analytical balance Sartorius R160 P
- Variable pipettes, Brand
- General laboratory glassware
- Cleaned water plant, Elga

EQUIPMENT
- HPLC
- UV/Vis detector

MOBILE PHASES
- Type: Acetonitrile

DETERMINATION OF DEAD TIME
- Method: The dead time marker was dissolved in methanol and diluted 0.1 to 1 in the mobile phase and injected as single standards twice. The calibration substances were dissolved in methanol and diluted 0.1 to 1 in the mobile phase and injected as single standards twice. The item was dissolved in acetonitrile and diluted 0.6 to 1 with distilled water and injected as single sample twice.

REFERENCE SUBSTANCES
- Identity: Acetanilide, Phenole, Monuron, Triadimenole, Linuron, Pyrazophos and Diclofop-methyl

DETERMINATION OF RETENTION TIMES
- Quantity of test substance introduced in the column: 6.93 µg
- Quantity of reference substances:
Dead time marker: 22.3 µg
Calibration substances: 0.63 - 1.90 µg
Test item: 22.3 pg

REPETITIONS
- Number of determinations: 2

Key result

Sample No.:

#1

Type:

log Koc

Value:

6.54 dimensionless

Key result

Sample No.:

#2

Type:

log Koc

Value:

6.57 dimensionless

Details on results (HPLC method):

- Retention times of reference substances used for calibration:
1 Measurement:
- Acetanilide: 3.397 min.
- Phenole: 3.410 min.
- Monuron: 3.637 min.
- Triadimenole: 3.734 min.
- Linuron: 3.861 min.
- Pyrazophos: 4.059 min.
- Diclofop-methyl: 4.303 min.

2 Measurement:
- Acetanilide: 3.399 min.
- Phenole: 3.401 min.
- Monuron: 3.633 min.
- Triadimenole: 3.741 min.
- Linuron: 3.858 min.
- Pyrazophos: 4.032 min.
- Diclofop-methyl: 4.267 min.

- Details of fitted regression line (log k' vs. log Koc):
1. Measurement: y = 5.3706x + 5.9397; R2 = 0.9485
2. Measurement: y = 5.4114x + 5.9928; R2 = 0.9385
- Graph of regression line attached: yes
- Average retention data for test substance: 6.920 min
- The adsorption coefficient of the test item was found to be: log Koc = 6.57

Transformation products:

no

Table 1: Determination of the Dead Time to

Dead time marker	Retention time of substances “tr” in min
	Measurement	Measurement	Mean
Formamide	3.000	3.041	3.021

Dead time: to= 3.021 min

 

Table 2: Calibration Data - 1.Measurement

*From OECD guideline 121, adopted January 2001

Calibration Substance	Inj. tr in min	K	Log K	Log Koc*
Acetanilide	3.397	0.12	-0.90	1.25
Phenol	3.410	0.13	-0.89	1.32
Monuron	3.637	0.20	-0.69	1.99
Triadimenol	3.734	0.24	-0.63	2.40
Linuron	3.861	0.28	-0.56	2.59
Pyrazophos	4.059	0.34	-0.46	3.65
Diclofop-methyl	4.303	0.42	-0.37	4.20

 

Regression: logKoc = a + bx logK

Parameters: a = 5.94; b = 5.37; R2 = 0.9485

 

Table 3: log Koc of the Test Item - 1. Measurement

	Inj. tr in min	K	Log K	Log Koc
Test Item	6.929	1.29	0.11	6.54 (> 4.20)^1)

¹⁾: beyond log Koc value of the highest calibration substance (Diclofop-methyl)

 

Table 4: Calibration Data - 2. Measurement

Calibration Substance	Inj. tr in min	K	Log K	Log Koc*
Acetanilide	3.399	0.13	-0.90	1.25
Phenol	3.401	0.13	-0.89	1.32
Monuron	3.633	0.20	-0.69	1.99
Triadimenol	3.741	0.24	-0.62	2.40
Linuron	3.858	0.28	-0.56	2.59
Pyrazophos	4.032	0.33	-0.48	3.65
Diclofop-methyl	4.267	0.41	-0.38	4.20

*From OECD guideline 121, adopted January 2001

Regression: logKoc = a + b x logK

Parameters: a = 5.99; b = 5.41; R2 = 0.9385

 

Table 5: log Koc of the Test Item - 2. Measurement

	Inj. Retention time in min	K	Log K	Log Koc
Test Item	6.920	1.29	0.11	6.59 (> 4.20)^1)

¹⁾: beyond log Koc value of the highest calibration substance (Diclofop-methyl)

 

 Table 6: log Koc of the Test Item

	Log Koc
1.     Measurement	6.54 (> 4.20)
2.     Measurement	6.56 (> 4.20)
Mean	6.57 (> 4.20)
RSD %	< 0.01

 

 

Validity criteria fulfilled:

yes

Conclusions:

The adsorption coefficient of the test item was determined according to the "HPLC-method" described in guideline 67/548/EEC, annex C.19 and OECD 121 (2001). The adsorption coefficient of the test item was found to be: log Koc = 6.57.

Executive summary:

The adsorption coefficient of the test item was determined according to the "HPLC-method" described in guideline 67/548/EEC, annex C.19 and OECD 121 (2001).

The HPLC method is based on the correlation between the retention of a substance on a reversed phase column packed with a commercially available cyanopropyl solid phase containing lipophilic and polar moieties and the adsorption coefficient Koc. The dead time is determined by using a "dead time marker". For the calibration the retention times of a series of substances with known adsorption coefficients were measured and a calibration graph was established. The adsorption coefficient of the test item was derived from its retention time and the calibration graph. The adsorption coefficient of the test item was found to be log Koc = 6.57.

Description of key information

The adsorption coefficient of the test item was determined according to the HPLC-method (reference 5.4.1-1) described in guideline 67/548/EEC, annex C.19 and OECD 121 (2001). The adsorption coefficient of the test item was found to be: log Koc = 6.57.

Key value for chemical safety assessment

Koc at 20 °C:

3 715 352.3

Additional information

The adsorption coefficient of the test item was determined according to the HPLC-method (reference 5.4.1 -1) described in guideline 67/548/EEC, annex C.19 and OECD 121 (2001) under GLP conditions. The HPLC method is based on the correlation between the retention of a substance on a reversed phase column packed with a commercially available cyanopropyl solid phase containing lipophilic and polar moieties and the adsorption coefficient Koc. The dead time is determined by using a "dead time marker". For the calibration the retention times of a series of substances with known adsorption coefficients were measured and a calibration graph was established. The adsorption coefficient of the test item was derived from its retention time and the calibration graph. The adsorption coefficient of the test item was found to be log Koc = 6.57.