1,3-bis(2,4,4-trimethylpentan-2-yl)trisulfane

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:

26 - 27 April, 2018

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

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

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

Radiolabelling:

not specified

Details on study design: HPLC method:

EQUIPMENT
- Instrument: Agilent 1100 Series Liquid Chromatograph with Chemstation software
- Column: HyperClone CN (CPS), 5μm (25 cm x 4.6 mm internal diameter)

MOBILE PHASES
- Type: Acetonitrile:water (55:45 v/v)


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

REFERENCE SUBSTANCES
- Identity: Acetanilide, Nitrobenzene, Naphthalene, 2-Methylnaphthalene, Anthracene, DDT

DETERMINATION OF RETENTION TIMES
- Quantity of test substance introduced in the column:
Flow rate: 1.0 mL/minute
Injection volume: 10 μL
- Quantity of reference substances:
Acetanilide - 10mg/L, Nitrobenzene - 10mg/L, Naphthalene 2.8 mg/L, 2-Methylnaphthalene - 3.3 mg/L, Anthracene - 10 mg/L, DDT - 11 mg/L
An internal standard - formamide - 200mg/L
Test item - 100 mg/L

REPETITIONS
- Number of determinations: 2

EVALUATION
- Calculation of capacity factors k':
k' = (tr - to)/to
where tr is the measured retention time of sample or reference
and to is the retention time of the internal deadtime standard.

- Calculation of retention times: reference materials were selected from a list of recommended compounds

- Determination of the log Koc value: log10Koc = 4.52log10k’ + 4.00

Analytical monitoring:

not specified

Details on sampling:

not specified

Details on matrix:

N/A

Key result

Type:

log Koc

Value:

ca. 6.3 dimensionless

Temp.:

20 °C

Type:

Koc

Value:

ca. 2 100 000 dimensionless

Temp.:

20 °C

Details on results (HPLC method):

- Retention times of reference substances used for calibration:
Acetanilide 3.348 min
Nitrobenzene 4.125 min,
Naphthalene 4.824 min,
2-Methylnaphthalene 5.129 min,
Anthracene 5.732 min,
DDT 8.636 min.

Validity criteria fulfilled:

yes

Conclusions:

Test item was determined to have a log10Koc value of 6.3 (equivalent Koc = 2.1 x 10^6).

Description of key information

A soil adsorption coefficient measurement was conducted as part of a package of physicochemical testing on DAILUBE IS-30 (Envigo CRS Limited, 2018, Study KB96DM). The study was performed according to OECD test guideline 121 and EU Method C.19, and in compliance with GLP.

 

 The soil adsorption coefficient was determined by the HPLC method. The soil adsorption coefficient of DAILUBE IS-30 was determined to have a Koc = 2.1 x 10^6, equivalent to a log10Koc value of 6.3.

 

Key value for chemical safety assessment

Koc at 20 °C:

2 100 000