Distilled acetalization product between glucose and C12, C14, C18, C20 ,C22 alcohol

Adsorption / desorption

Administrative data

Endpoint:

adsorption / desorption: screening

Type of information:

experimental study

Adequacy of study:

key study

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

other: GLP study, OCDE guideline

Data source

Reference

Reference Type:

study report

Title:

Unnamed

Report date:

2011

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))

Deviations:

no

GLP compliance:

yes (incl. QA statement)

Remarks:

2009-17-08

Type of method:

HPLC estimation method

Media:

soil/sewage sludge

Test material

Test material information

Constituent 1

Reference substance name:

LCE 10028

IUPAC Name:

LCE 10028

Details on test material:

Identification LCE10028
Identification of the flask LCE10028
Expiry date 14 January 2011
Supplier SEPPIC
Appearance Beige pearls
Packaging 1 white plastic flask with blue stopper
Quantity received 300 g
Date of the reception 15 March 2010
Storage In darkness at room temperature
Identification number for the study 10-042

Radiolabelling:

no

Study design

Test temperature:

22°C

HPLC method

Details on study design: HPLC method:

Reagents
Acetone for analysis
Methanol for HPLC
Water for HPLC
All the glassware was rinsed with acetone for analysis and air dried before use.
Apparatus
Autosampler Hitachi AS2000A
HPLC pump Hitachi L-6200A
UV visible detector Hitachi L-4250
Ultrasonic tank Transonic Type T425H
Magnetic stirrer Heidolph 94360
Balance: Accuracy ± 0.1 mg Mettler AE 100S
Usual laboratory apparatus
Safety instructions
The chemicals, solvents and equipment were used with caution. The safety rules
defined within DEFITRACES were strictly followed.
Preparation of the mobile phase
A volume of 550 mL of water was transferred into a one-Liter glass flask. A volume
of 450 mL of methanol was added. The solution was treated with ultrasounds for
5 minutes and left to stand for 10 minutes before analysis.
Preparation of the thiourea solution
The thiourea solution was prepared at a concentration of about 800 mg/L and diluted
100 then 1.5 fold with methanol/eau 45/55 before analysis.
This diluted solution was used for the t0 determination.
Preparation of the analytical reference item solutions
Acetanilide, methylbenzoate, isoproturon, 1,2,3-trichlorobenzene, pyrazophos and
4,4’-DDT are the six reference items solutions chosen within the method recommended
reference substances for the HPLC method.
For acetanilide, 1,2,3-trichlorobenzene, pyrazophos and 4,4’-DDT: A quantity of
about 10 mg (to the nearest ± 0.1 mg) of reference item was weighed into a 100-mL
volumetric flask. The volume was made up with methanol. The solution was treated with
ultrasounds during 5 minutes.
For isoproturon: A quantity of about 5 mg (to the nearest ± 0.1 mg) of reference item
was weighed into a 25-mL volumetric flask. The volume was made up with methanol. The
solution was treated with ultrasounds during 5 minutes.
For methylbenzoate: A quantity of about 20 mg (to the nearest ± 0.1 mg) of
reference item was weighed into a 25-mL volumetric flask. The volume was made up with
methanol. The solution was treated with ultrasounds during 5 minutes.
Preparation of the diluted analytical reference item solutions
For acetanilide, methylbenzoate and isoproturon: A 20 times dilution was made up
with a mixture of methanol/water 45/55 v/v. A vial was prepared for analysis.
For 1,2,3-trichlorobenzene, pyrazophos and 4,4’-DDT: A 5 times dilution was made
up with a mixture of methanol/water 45/55 v/v. A vial was prepared for analysis.
These solutions were used as reference item solutions to obtain the calibration
curve.
Preparation of the mixed analytical reference item solutions
Volumes of 1 mL of acetanilide, 1 mL of methylbenzoate, 1 mL of isoproturon, 4 mL
of pyrazophos, 4 mL of 4,4’-DDT and 4 mL of 1,2,3-trichlorobenzene were transferred into a
20-mL volumetric flask. The volume was made up with the mixture of methanol/water 45/55
v/v.
A vial was prepared for analysis.
Preparation of the test item solution
A quantity of about 1000 mg of LCE10028 was accurately weighed into a 100-mL
volumetric flask. The volume was made up with methanol. The solution was treated with
ultrasounds for 45 minutes before analysis.
Instrumental analysis
The experimental conditions used for the determination of the retention times of the
analytical reference items and of the test item by high pressure liquid chromatography
equipped with an ultraviolet detector are as following:
Column
Column Supelco Length (cm) 25
Particle size (μm) 5.0 Internal diameter (mm) 4.6
Stationary phase Supelcosil LC-CN
Mobile phase Methanol / water 45/55 v/v
Flow rate (mL/min) 0.9
Injected volume (μL) 40 Wave length analysis (nm) 210
Injection sequence
Mixture of the analytical reference items, test item, mixture of the analytical reference
items, test item, mixture of the analytical reference items, individual analytical reference
items.
The temperature during the analytical phase was around 22°C.

Results and discussion

Adsorption coefficient

Type:

log Koc

Value:

> 2.4

Temp.:

22 °C

Results: HPLC method

Details on results (HPLC method):

Using the HPLC experimental method for the estimation of the adsorption/desorption coefficient Koc on soil and on sewage sludge, no peaks related to the test item could be observed on the chromatographic trace in the interval limited by the reference substances. This result may be a consequence of an inadequate sensitivity of the analytical technique.

Therefore no experimental determination of the coefficient was made.

The following discussion provides elements to define the adsorption/desorption coefficient of the test item.
The structure of the substances which make up the test item have a long non-polar chain and a hydrophilic part. Thus, the substances might exhibit surface-active properties.

The partition coefficients of the substances present in the test item as calculated during DEFITRACES’s study 10-919003-005 are very high; this is an indication of the hydrophobic nature of them.

A linear relationship exists between the adsorption/desorption coefficient and the partition coefficient of chemical substances. In the case of hydrophobic substances the relationship is given by the formula:

logKoc = 0.81 x log Pow + 0.10

Applicant's summary and conclusion

Validity criteria fulfilled:

yes

Conclusions:

The adsorption / desorption coefficient of LCE10028 is lower then 2.4

Executive summary:

Determination of the adsorption / desorption coefficient of LCE10028 In compliance with OECD Guideline No. 121 (2001)

The objective of this study was to estimate the adsorption/desorption coefficient on soil and on sewage sludge using (HPLC) High Performance Liquid Chromatographyfollowing the test method (OECD Guideline No. 121, 2001). 

 

No peaks related to the test item could be observed on the chromatographic trace in the interval limited by the reference substances using the method as described in the Guideline.

 

Based on the relationship existing between log K_ocand log P_ow,the adsorption/desorption coefficient of LCE10028 on soil and on sewage sludge can be estimated to be higher then 2.4.