4-Decenal, 9-hydroxy-5,9-dimethyl-

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:

21 June 2013

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))

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:

Not applicable

GLP compliance:

yes (incl. QA statement)

Type of method:

HPLC estimation method

Media:

soil/sewage sludge

Radiolabelling:

no

Test temperature:

35 °C

Details on study design: HPLC method:

EQUIPMENT
- Apparatus: Perkin Elmer (series 200) HPLC system comprising:
- a high pressure pump (module N2910102, serial number: 291 N8051901A)
- an auto-sampler (module N2930100, serial number: 293N8052404A)
- a column compartment (module N2601581, serial number: OVHO802151130)
- a refractive index detector (series 200a, serial number 125829).

MOBILE PHASES
- Type: methanol / water 55/45 (v/v))
- Column: 250 mm x 4.6 mm, Nucleodur® 100-5 CN-RP (Macherey-Nagel) serial number: N10080027, batch 34518023
- Flow rate: 1.0 mL/min.
- Column temperature: 35 °C
- Injected volume: 100 µL


DETERMINATION OF DEAD TIME
- Method: Formamide is used as an unretained compound for the determination of the "dead time" t0

REFERENCE SUBSTANCES
- Identity: Formamide, 2-Nitrobenzamide, Methyl benzoate, Naphthalene, 1,2,3-Trichloro benzene, Phenanthrene, 4,4’-DDT

DETERMINATION OF RETENTION TIMES
- Quantity of test substance introduced in the column: 10.0 mg in 25 mL methanol/water 55/45 v/v).
- Quantity of reference substances: Formamide (4 g/L), 2-Nitrobenzamide (0.2 g/L), Methyl benzoate (0.2 g/L), Naphthalene (0.05 g/L), 1,2,3-Trichloro benzene (0.2 g/L), Phenanthrene (0.1 g/L) and 4,4’-DDT (0.2 g/L)

REPETITIONS
- Number of determinations: 2

EVALUATION
- Calculation of capacity factors k': k = (tR/t0)-1:
- Calculation of retention times: linear regression parameters
- Determination of the log Koc value: log KOC = a * log k + b

Key result

Type:

log Koc

Value:

1.94 dimensionless

Temp.:

35 °C

Matrix:

soil/sewage sludge

Details on results (HPLC method):

- Retention times of reference substances used for calibration: Formamide (3.31), 2-Nitrobenzamide (3.63), Methyl benzoate (4.54), Naphthalene (6.06), 1,2,3-Trichloro benzene (6.58), Phenanthrene (8.72) and 4,4’-DDT (16.07)
- Details of fitted regression line (log k' vs. log Koc): log KOC = a * log k + b
- Average retention data for test substance: 4.177

Table 5.4.1/1: retention times for reference and test substance and calculation of Adsorption coefficient

REFERENCE SUBSTANCES	log Koc	tR1	tR2	tRm	k	log k
Formamide	-	3.301	3.317	3.31	-	-
2-Nitrobenzamide	1.45	3.632	3.624	3.63	0.096	-1.016
Methyl benzoate	1.80	4.543	4.535	4.54	0.372	-0.430
Naphthalene	2.75	6.061	6.055	6.06	0.831	-0.081
1,2,3-Trichloro benzene	3.16	6.583	6.585	6.58	0.990	-0.004
Phenanthrene	4.09	8.726	8.719	8.72	1.636	0.214
4,4’-DDT	5.63	16.049	16.097	16.07	3.857	0.586
Test item		4.175	4.179	4.177	0.2623	-0.581 2

Validity criteria fulfilled:

yes

Conclusions:

The chromatograms of test item show one peak at an average retention time of 4.177 minutes, corresponding to an adsorption coefficient (log value) of 1.94. Therefore: Adsorption coefficients (Koc) of test item is log Koc = 1.94.

Executive summary:

 The Adsorption coefficient (Koc) on soil and on sewage sludge of test substance was determined by the Reverse Phase High Performance Liquid Chromatographic Method according to the OECD Guideline 121.

 

After equilibration of the HPLC system, the calibration mixture was injected first, followed by the test chemical solution twice and the calibration mixture again. Retention times tR were measured and averaged and the decimal logarithms of the capacity factors k were calculated. The linear regression parameters of the relationship log Koc = f (log k) were also calculated from the data obtained with the calibration mixture and, therewith, log Koc of the test substance was determined from its measured capacity factor. Peak assignment was confirmed by injecting solutions of the reference substances individually.

 

The chromatograms of test substance pure show one peak at an average retention time of 4.177 minutes, corresponding to an adsorption coefficient (log value) of 1.94. Therefore, adsorption coefficients (Koc) of test substance log Koc = 1.94.

Description of key information

A study has been performed with the registered substance for the estimation of its Adsorption coefficient by the HPLC method (OECD 121).

The substance was found to have a log Koc of 1.94 (Koc : 87 L/Kg).

Key value for chemical safety assessment

Koc at 20 °C:

87

Additional information

The result indicates that the substance has a high mobility in soils (according to P.J. McCall et al., 1981¹).

¹McCall P.J., Laskowski D.A., Swann R.L., and Dishburger H.J., (1981), “Measurement of sorption coefficients of organic chemicals and their use, in environmental fate analysis”, in Test Protocols for Environmental Fate and Movement of Toxicants. Proceedings of AOAC Symposium, AOAC,

Washington DC.

Mobility classification scheme:

Range of Koc	Mobility class
0 - 50	Very high
50 - 150	High
150 - 500	Medium
500 - 2000	Low
2000 - 5000	Slightly
> 5000	Immobile

.