Hexanedioic acid, mixed esters with decanoic acid, heptanoic acid, octanoic acid and pentaerythritol

Adsorption / desorption

Administrative data

Endpoint:

adsorption / desorption: screening

Type of information:

experimental study

Adequacy of study:

key study

Study period:

20170117 - 20170125

Reliability:

1 (reliable without restriction)

Data source

Reference

Reference Type:

study report

Title:

Unnamed

Year:

2017

Report date:

2017

Materials and methods

Test guideline

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))

GLP compliance:

yes

Type of method:

HPLC estimation method

Media:

soil/sewage sludge

Test material

Test material information

Constituent 1

Reference substance name:

Hexanedioic acid, mixed esters with decanoic acid, heptanoic acid, octanoic acid and pentaerythritol

EC Number:

268-597-2

EC Name:

Hexanedioic acid, mixed esters with decanoic acid, heptanoic acid, octanoic acid and pentaerythritol

Cas Number:

68130-55-2

Molecular formula:

C36H64O10

IUPAC Name:

6-[3-(decanoyloxy)-2-[(heptanoyloxy)methyl]-2-[(octanoyloxy)methyl]propoxy]-6-oxohexanoic acid

Test material form:

liquid

Study design

Test temperature:

25+/-1°C

HPLC method

Details on study design: HPLC method:

EQUIPMENT
- Instrument: High-performance liquid chromatograph LC-20AD (Shimadzu Corporation)
- Pump: LC-20AD (Shimadzu Corporation)
- UV-VIS detector: SPD-20A V (Shimadzu Corporation)
- Column oven: CT0-20AC (Shimadzu Corporation)
- Auto injector: SIL-20HT (Shimadzu Corporation)
- Systemcontroller: SCL-10 AVP (Shimadzu Corporation)
- Degasser: DGU-20 A3 (Shimadzu Corporation)

- Column: Inertsil CN-3 (150 mm x 2.1 mm I.D. particle size 5 µm, GL Sciences Inc.)
- Column temperature: 25°C
- Eluent: Methanol/purified water (60/40 v/v)
- Flowrate: 0.2 mL/min
- Measurement wavelength: 210 nm
- Sample size: 2µL

- Preparation of reference item solution: Each about 10 mg of methyl benzoate, linuron, naphthalene, fenthion, phenanthrene and DDT was weighed with an electronic analytical balance and dissolvedin methanol to prepare each of about 1000 mg/L solution. About 500 mg of formamide (for dead time) was weighed with the electronic analytical balance and dissolved in methanol to prepare about 50000 mg/L solution. These solutions were mixed and then diluted with the eluent ofHPLC analysis to prepare the reference item solution for the measurement of adsorption coefficient.
- Preparation of test item solution: About 100 mg of the test sample was weighed with an electronic analytical balance and dissolved in methanol to prepare about 1000 mg/L solution of the test item. Methanol was used as a solvent blank.
- Measurement of retention times for reference items, and making of regression line: The reference item solution was injected to the equipment and the retention times of the reference items were measured twice. The capacity factors (k) of the reference items were calculated.

Batch equilibrium or other method

Computational methods:

A regression line was made by the method of least squares using the known values of the adsorption coefficients and the logarithmic values of the capacity factors for the reference items.

Results and discussion

Adsorption coefficient

Key result

Sample No.:

#1

Type:

log Koc

Value:

>= 4.8 dimensionless

Temp.:

25 °C

Results: HPLC method

Details on results (HPLC method):

- Retention times of reference substances used for calibration:
- Details of fitted regression line (log k' vs. log Koc):
- Graph of regression line attached
- Average retention data for test substance:

Applicant's summary and conclusion

Validity criteria fulfilled:

yes

Conclusions:

Two peaks were detected on the HPLC chromatogram from the test item. The adsorption coefficients (log Koc) were 4.80 for peak 1 and more than 5.63 forpeak 2.
lt is concluded that the adsorption coefficient of the test item is 4.80 and more.