Registration Dossier

Environmental fate & pathways

Adsorption / desorption

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Administrative data

Endpoint:
adsorption / desorption
Remarks:
adsorption/desorption
Type of information:
calculation (if not (Q)SAR)
Adequacy of study:
key 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

Constituent 1
Chemical structure
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:
3-({[2-(2-{[(prop-2-en-1-yloxy)carbonyl]oxy}ethoxy)ethoxy]carbonyl}oxy)prop-1-ene
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 coefficientsopen allclose all
Phase system:
other: Koc
Type:
other: Koc
Value:
16.9 L/kg
Remarks on result:
other: traditional method
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.
Executive summary:

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.

For the active substanceDiallyl-2,2`-oxydiethyl dicarbonate the traditional method gives a Kocof 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.