Trideca-1,1,1,2,2,3,3,4,4,5,5,6,6-fluorohexane

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:

2016-04-12 to 2017-01-20

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

GLP compliance:

yes (incl. QA statement)

Type of method:

HPLC estimation method

Media:

soil

Specific details on test material used for the study:

SOURCE OF TEST MATERIAL
- Source and lot/batch No.of test material: Batch no. 41251
- Expiration date of the lot/batch: 2017-03-01 (taken from Label)

STABILITY AND STORAGE CONDITIONS OF TEST MATERIAL
- Storage condition of test material: At room temperature
- Stability under test conditions: until 01 March 2017 (nominal expiry date) (taken from label)

FORM AS APPLIED IN THE TEST (if different from that of starting material): Colourless liquid

Radiolabelling:

not specified

Test temperature:

Column temperature: 35°C ± 1°C

RI detection: 30°C

Details on study design: HPLC method:

EQUIPMENT
- Apparatus: Acquity UPLC system (Waters, Milford, MA, USA)
- Type, material and dimension of analytical (guard) column: Acquity UPLC HSS Cyano, 100 mm x 2.1 mm i.d., dp = 1.8 µm (Waters)
- Detection system: Acquity UPLC RI detector (Waters)

MOBILE PHASES
- Type: 55/45 (v/v) methanol/water
- Experiments with additives carried out on separate columns: yes
- pH: neutral pH
- Solutes for dissolving test and reference substances:
Solution of the unretained compound
Formamide (99.2%, [75-12-7], Alfa Aesar, Karlsruhe, Germany) was used as unretained compound. The stock solution was prepared by mixing 100 µL formamide and 900 µL 55/45 (v/v) methanol/water. The formamide blank solution was 55/45 (v/v) methanol/water.

Reference substance solutions
Stock solutions of the reference substances at concentrations of approximately 1 g/L in methanol were used. Two mixtures of four reference substances each were prepared by mixing 100 µL of each reference substance, 150 µL methanol and 450 µL water. The blank solution for the mixture of reference substances was 55/45 (v/v) methanol/water.

Test solution
A 2960 mg/L stock solution of the test item was prepared in methanol. The stock solution was diluted to obtain an end solution of 55/45 (v/v) methanol/water. The final concentration of the test item solution was 1628 mg/L.

The test item blank solution was 55/45 (v/v) methanol/water.

DETERMINATION OF DEAD TIME
- Method: by means of homologous series / by inert substances which are not retained by the column (not specified)

REFERENCE SUBSTANCES
- Identity:
1) Acetanilide
2) Monuron
3) 2,5-Dichloroaniline
4) Naphthalene
5) Benzoic acid phenylester
6) Fenthion
7) Phenanthrene
8) 4,4’-DDT

DETERMINATION OF RETENTION TIMES
- Quantity of test substance introduced in the column: 5 µL
- Quantity of reference substances: Stock solutions of the reference substances at concentrations of approximately 1 g/L in methanol were used. Two mixtures of four reference substances each were prepared by mixing 100 µL of each reference substance, 150 µL methanol and 450 µL water. The blank solution for the mixture of reference substances was 55/45 (v/v) methanol/water.
- Intervals of calibration: Not specified

REPETITIONS
- Number of determinations: The reference substance and test item solutions were injected in duplicate. Blank solutions were analysed by single injection.

EVALUATION
- Calculation of capacity factors k': The capacity factor (k') of each compound was calculated from its retention time:

k’ = (tr – t0)/t0
where:
tr = Retention Time
t0 = mean column dead time

- Calculation of retention times: not specified
- Determination of the log Koc value: Solutions of reference substances with known log Koc values based on soil adsorption data and the test item were analysed. The capacity factor (k') of each compound was calculated from its retention time. The log k’ values of the references substances were plotted against the known log Koc values. A linear regression program was used to calculate the calibration curve. Linear regression analysis was performed using the least squares method. The coefficient of correlation (r) was calculated. The log Koc value for the test item was calculated by substituting its mean log k’ in the calibration curve. The value of log Koc obtained from duplicate measurements was within ± 0.25 log units.

Key result

Type:

Koc

Value:

ca. 5 000 dimensionless

pH:

7

Temp.:

35 °C

Key result

Type:

log Koc

Value:

ca. 3.7 dimensionless

pH:

7

Temp.:

35 °C

Details on results (HPLC method):

See attachment for details

Validity criteria fulfilled:

yes

Conclusions:

The Koc and log Koc values of the test material (AsahiklinTM AC-2000) at neutral pH were 5.0 x 10^3 and 3.70, respectively.

Executive summary:

The HPLC method using soil-adsorption-reference data was applied for the determination of the adsorption coefficient (K_oc) of Asahiklin^_TM AC-2000.

 

The K_oc and log K_oc values of the test item at neutral pH were 5.0 x 10³ and 3.70, respectively.

Description of key information

The K_oc and log K_oc values of 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorohexane at neutral pH and 35°C were determined to be 5.0 x 10³ and 3.70, respectively.

Additional information

In a GLP-compliant adsorption/desorption screening study (OECD Guideline 121), the HPLC method using soil-adsorption-reference data was applied for the determination of the adsorption coefficient (K_oc) of 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorohexane (Charles River Laboratories Den Bosch BV., 2017a).

 

The K_oc and log K_oc values of 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorohexane at neutral pH and 35°C were determined to be 5.0 x 10³ and 3.70, respectively.