[No public or meaningful name is available]

Adsorption / desorption

Administrative data

Endpoint:

adsorption / desorption

Remarks:

adsorption/desorption

Type of information:

migrated information: read-across from supporting substance (structural analogue or surrogate)

Adequacy of study:

supporting study

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

other: Scientifically accepted calculation method

Data source

Reference

Reference Type:

study report

Title:

Unnamed

Year:

2010

Report date:

2010

Materials and methods

Principles of method if other than guideline:

Calculation tool: US-EPA (EPIWIN software KOCWIN v2.00)

GLP compliance:

no

Remarks:

not applicable

Type of method:

other: calculation

Media:

soil

Test material

Test material information

Constituent 1

Reference substance name:

Diallyl 2,2'-oxydiethyl dicarbonate

EC Number:

205-528-7

EC Name:

Diallyl 2,2'-oxydiethyl dicarbonate

Cas Number:

142-22-3

Molecular formula:

C12H18O7

IUPAC Name:

diallyl 2,2'-oxydiethyl dicarbonate

Radiolabelling:

not specified

Study design

Batch equilibrium or other method

Analytical monitoring:

not required

Computational methods:

The organic-normalized sorption coefficient for soil (soil adsorption, Koc) of Diallyl-2,2`-oxydiethyl dicarbonate was determined by calculation. This calculation was performed by the computer program from US-EPA (EPIWIN software KOCWIN v2.00).
This tool uses two different models: the Salbjic molecular connectivity (MCI) method with improved correction factors and therefore taken into account more seriously as well as the traditional method which is based on the logarithmic octanol-water partition coefficient, logKow.

Results and discussion

Partition coefficients

Partition coefficients 1

Phase system:

other: Koc

Type:

other: Koc

Value:

16.9 L/kg

Remarks on result:

other: traditional method

Partition coefficients 2

Phase system:

other: Koc

Type:

other: Koc

Value:

20.69 L/kg

Remarks on result:

other: MCI method

Applicant's summary and conclusion

Validity criteria fulfilled:

yes

Conclusions:

For the active substance Diallyl-2,2`-oxydiethyl dicarbonate the traditional method gives a Koc of 16.9 L/kg; whereby the MCI method resulted in a value of 20.69 L/kg.
Since the multi-constituent to be registered (EC 700-483-4) contains as main ingredient 'diallyl 2,2'oxydiethyl dicarbonate', the experimental data from this substance were used in a read-across approach.

Executive summary:

The organic-normalized sorption coefficient for soil (soil adsorption, K_oc) of Diallyl-2,2`-oxydiethyl dicarbonate was determined by calculation. This calculation was performed by the computer program from US-EPA (EPIWIN software KOCWIN v2.00).

This tool uses two different models: the Salbjic molecular connectivity (MCI) method with improved correction factors and therefore taken into account more seriously as well as the traditional method which is based on the logarithmic octanol-water partition coefficient, logK_ow.

For the active substanceDiallyl-2,2`-oxydiethyl dicarbonate the traditional method gives a K_ocof 16.9 L/kg; whereby the MCI method resulted in a value of 20.69 L/kg. The MCI method is taken more seriously into account due to the fact, that it includes improved correction factors.

Since the multi-constituent to be registered (EC 700-483-4) contains as main ingredient 'diallyl 2,2'oxydiethyl dicarbonate', the experimental data from this substance were used in a read-across approach.