Nonanal

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:

2011-05-25 to 2011-07-11

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

other: GLP 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:

soil/sewage sludge

Specific details on test material used for the study:

- Names of test material (as cited in study report): Aldehyde C9 nonylic food grade; nonanal
- Substance type: Colourless liquid to pale yellow liquid
- Physical state: Liquid
- Impurities (identity and concentrations): No data
- Composition of test material, percentage of components: No data
- Isomers composition: No data
- Purity test date: No data
- Lot No: VE00120901
- Expiration date of the lot/batch: 2011-10-14
- Stability under test conditions: No data
- Storage condition of test material: No data

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
- an autosampler
- a column compartment
- a refractive index detector
- Column: 250 mm x 4.6 mm, Nucleodur® 100-5 CN-RP
- Mobile phase: methanol/water (55/45 (v/v))
- Flow rate: 1.0 mL/min
- Column temperature: 35 °C
- Injected volume: 100 µL

DETERMINATION OF DEAD TIME
- Method: by inert substance (formamide) which is not retained by the column.

REFERENCE SUBSTANCES
- Formamide (CAS No. 75-12-7, logKoc="dead time", conc. = 4.0 g/L, 99.6 % pure)
- 2-Nitrobenzamide (CAS No. 610-15-1, logKoc = 1.45, conc. = 0.20 g/L, 98.7 % pure)
- Methyl benzoate (CAS No. 93-58-3), logKoc = 1.80, conc. = 0.20 g/L, 99.9 % pure)
- Naphthalene (CAS No. 91-20-3, logKoc =2.75, conc. = 0.05 g/L, 99.9 % pure)
- 1,2,3-Trichlorobenzene, (CAS No. 87-61-6, logKoc =3.16, conc. = 0.20 g/L, 99.9 % pure)
- Phenanthrene (CAS No. 85-01-8, logKoc =4.09, conc. = 0.10 g/L, 99.2 % pure)
- 4,4'-DDT (CAS No. 50-29-3, logKoc =5.63, conc. = 0.20 g/L, 96.0 % pure)

DETERMINATION OF RETENTION TIMES
- Quantity of test substance introduced in the column: 12.5 mg in 50 µL methanol/water 55/45 % v/v mixture
- Quantity of reference substances: 2 mL of each reference substance, made up to 11.45 mL with ultrapure water
- Injection sequence of solutions: calibration, test, test, calibration.

REPETITIONS
- Number of determinations: 2

EVALUATION
- Calculation of capacity factors k': Calculated using the equation k = tR/t0 - 1,
-- where tR = retention time and t0 = "dead time", i.e. retention time of formamide
- Retention times were measured.
- Determination of the log Koc value: Linear regression parameters of the relationship log Koc = f(log k) was calculated from the data obtained from the calibration mixture.
-- From this, the log Koc of the test substance was determined from its measured capacity factor.

Analytical monitoring:

no

Type:

log Koc

Value:

2.84

Temp.:

35 °C

Details on results (HPLC method):

The chromatographs of Aldehyde C9 Nonylic Food Grade show one main peak at an average retention time of 8.38 minutes, corresponding to an adsorption coefficient (log value) of 2.84. A second minor peak present in the chromatograms at a retention time of ~10.4 min was assigned to a contamination in the chromatographic system. It can be excluded that this peak is due to the test substance, as the test substance purity is 99.6%.

The determination was performed at 35 °C (temperature of the column) but the value obtained can be considered to represent the value at an unspecified, probably ambient temperature since no mention is made in the guidelines of the temperature at which the tabulated reference substances log Koc values were determined. Adsorption coefficients of the test and reference substances are assumed to vary with temperature in the same way.

- For details of results and calculations please see Appendix 1 (attached).
- The results are graphed in Appendix 2 (attached).
- Chromatogram of the reference substances is attached (Appendix 3)
- Chromatogram of the test substance is attached (Appendix 4)

Validity criteria fulfilled:

yes

Conclusions:

The adsorption coefficient (Koc) of the test material is log Koc 2.84.

Description of key information

Adsorption coefficient (Koc), log Koc = 2.84 (OECD 121), Koc = 692.

Key value for chemical safety assessment

Koc at 20 °C:

692

Additional information

The determination was performed at 35 °C (temperature of the column) but the value obtained can be considered to represent the value at an unspecified, probably ambient temperature since no mention is made in the guidelines of the temperature at which the tabulated reference substances log Koc values were determined. Adsorption coefficients of the test and reference substances are assumed to vary with temperature in the same way.