Tall oil, compd. with triethanolamine

Adsorption / desorption

Link to relevant study record(s)

Reference

Endpoint:

adsorption / desorption, other

Remarks:

Estimation of adsorption coefficient (Koc) on soil

Type of information:

experimental study

Adequacy of study:

key study

Study period:

31st July 2017 - 29th November 2017

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: Source: The sponsor; Afton Chemical Corporation. Lot: LAB 4401 and LAB 4406
- Expiration date of the lot/batch: 8th November 2017
- Purity test date: 100% as UVCB

RADIOLABELLING INFORMATION (if applicable)
- Radiochemical purity: n/a
- Specific activity: n/a
- Locations of the label: n/a
- Expiration date of radiochemical substance: n/a

STABILITY AND STORAGE CONDITIONS OF TEST MATERIAL
- Storage condition of test material: Room temperature, sealed (store in well ventilated place)
- Stability under test conditions: not specified
- Solubility and stability of the test substance in the solvent/vehicle: n/a
- Reactivity of the test substance with the solvent/vehicle of the cell culture medium: n/a

TREATMENT OF TEST MATERIAL PRIOR TO TESTING
- Treatment of test material prior to testing: Methanol and water (60:40) were used to prepare the mobile phase. It was run at neutral pH without the use of a buffer solution.
- Preliminary purification step (if any): n/a
- Final dilution of a dissolved solid, stock liquid or gel: n/a
- Final preparation of a solid: n/a

FORM AS APPLIED IN THE TEST (if different from that of starting material) n/a

TYPE OF BIOCIDE/PESTICIDE FORMULATION (if applicable) n/a

OTHER SPECIFICS: The test item was compounded from the two lots 4401 and 4406. Two separate samples were then prepared. The Test Item samples were prepared by dispensing 2.7 and 2.9 mg into 20 mL glass vials; then dissolving in 5 mL of mobile phase. The solutions were slightly cloudy after preparation and were syringe filtered through a 0.45 μm PTFE filter prior to injection. A blank filtered mobile phase was also run as a control.

Radiolabelling:

no

Test temperature:

Ambient temperature (23.9 ± 0.1 °C).

Details on study design: HPLC method:

EQUIPMENT
- Apparatus: Isocratic HPLC system equipped with a cyanopropyl column. Injector - Rheodyne 7725 with 100 μL sample loop. Injection Syringe - 250 μL (model 1725) with removable needle. Detector - Waters Model 490E. Pump - Waters Model 510.
- Type: see "Apparatus"
- Type, material and dimension of analytical (guard) column: no guard column
- Detection system: see "Apparatus"

MOBILE PHASES
- Type: Neutral (mobile phase determined by the nature of the test item)
- Experiments with additives carried out on separate columns: no
- pH: 6
- Solutes for dissolving test and reference substances: methanol and water (60:40)

DETERMINATION OF DEAD TIME
- Method: by inert substances which are not retained by the column (sodium nitrate)

REFERENCE SUBSTANCES
- Identity: Acetanilide (CAS 103-44-4), Methyl benzoate (CAS 93-58-3), Naphthalene (CAS 91-20-3), 1,2,3-Trichlorobenzene (CAS 87-61-6), Phenanthrene (CAS 85-01-8), 4,4’ DDT 50-29-3

DETERMINATION OF RETENTION TIMES
- Quantity of test substance introduced in the column: Two separate samples were prepared. The Test Item samples were prepared by dispensing 2.7 and 2.9 mg into 20 mL glass vials; then dissolving in 5 mL of mobile phase. The average retention time of the standards was used to construct the calibration
curve. The percentage error in the retention times was determined by repeat injections of known standards. The within-day variability in the retention times (calculated as k – capacity factor) was determined.
- Quantity of reference substances: not stated
- Intervals of calibration: not stated

REPETITIONS
- Number of determinations: 2

EVALUATION
- Calculation of capacity factors k': The capacity factor, k, (retention time of the substance minus the retention time of sodium nitrate, divided by the retention time of sodium nitrate) was calculated for the reference standards and the Test Item.
- Calculation of retention times:
- Determination of the log Koc value:

Analytical monitoring:

no

Details on sampling:

not stated

Details on matrix:

n/a

Details on test conditions:

n/a

Computational methods:

n/a

Key result

Type:

other: weighted average log Koc

Remarks:

Test substance is a uvcb: logKoc ranged from 4.00 to 5.15, with a weighted average of 4.571

Value:

ca. 4.571 dimensionless

pH:

6

Temp.:

23.9 °C

Matrix:

not stated

Details on results (HPLC method):

- Retention times of reference substances used for calibration: Acetanilide - 2.99 minutes. Methyl benzoate - 3.54 minutes. Naphthalene - 4.88 minutes. 1,2,3-Trichlorobenzene - 5.30 minutes. Phenanthrene - 7.83 minutes. 4,4’ DDT - 13.84 minutes.
- Details of fitted regression line (log k' vs. log Koc): Regression Correlation Coefficient (r2) calculated to be 0.998 (specification > 0.9 for 1st order fit)
- Graph of regression line attached - no graph available
- Average retention data for test substance: 9.12 minutes (calculated; not directly stated in report; range 7.357-11.662 minutes)

Summary of Partition Coefficient Data

Preparation Number Concentration (mg/mL)  Peak Retention Time (min)  Peak Area (%)^1 Log Koc Weighted Average Log Koc   1 (158 -129 -1)    0.65 mg/mL Tall Oil TEA salt in methanol:water (60:40)        7.403  14.30  4.02  4.579           8.565   18.27 4.39   9.053  42.81  4.53  11.662  23.80 5.15  2    (158 -129 -2) 1.04 mg/mL Tall Oil TEA salt in methanol:water (60:40)            7.357 15.84  4.00      4.563        8.516  15.30 4.38   9.145 42.50  4.56   11.279  23.90 5.07  Average  4.571   Relative Percent Difference (RPD, %) 0.35    Absolute Difference (log units) 0.016   Note 1: The weighted average of log Koc was based on peaks with percentage area greater than 5% of the total area

Validity criteria fulfilled:

not specified

Conclusions:

The adsorption coefficient of Tall Oil TEA salt (HPLC Method, soil) using method OECD Test Guideline 121 was determined. Weighted average Log Koc = 4.571 +/- 0.008. [LogKoc 4.00 to 5.15]

Executive summary:

A determination of the Koc of the test substance Tall Oil TEA salt was carried out using the OECD Test Guideline 121; which uses HPLC comparisons against known standards. The determined logKoc values for the components of Tall Oil TEA salt ranged between 4.00 and 5.15, with a weighted average value of 4.571.

NOTE: Any of data in this dataset are disseminated by the European Union on a right-to-know basis and this is not a publication in the same sense as a book or an article in a journal. The right of ownership in any part of this information is reserved by the data owner(s). The use of this information for any other, e.g. commercial purpose is strictly reserved to the data owners and those persons or legal entities having paid the respective access fee for the intended purpose.

Description of key information

A determination of the Koc of the target substance was carried out using the OECD Test Guideline 121; which uses HPLC comparisons against known standards. The determined logKoc values for the components of Tall Oil TEA salt ranged between 4.00 and 5.15, with a weighted average value of 4.571.

Key value for chemical safety assessment

Koc at 20 °C:

37 239.17