[No public or meaningful name is available]

Bioaccumulation: aquatic / sediment

Administrative data

Endpoint:

bioaccumulation in aquatic species, other

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: model considered reliable by OECD

Data source

Reference

Reference Type:

study report

Title:

Unnamed

Year:

2010

Report date:

2010

Materials and methods

Test guideline

Guideline:

other: REACH guidance on QSAR R.6, May 2008

Principles of method if other than guideline:

The Bioconcentration Factor (BCF) was determined by calculation. This calculation was performed by the computer program from US-EPA (EPIWIN software BCFBAF v3.00)

GLP compliance:

no

Remarks:

not applicable (QSAR calculation)

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:

no

Test organisms

Test organisms (species):

other: Fish, species not specified

Study design

Route of exposure:

aqueous

Test type:

other: QSAR calculation

Water / sediment media type:

natural water: freshwater

Test conditions

Reference substance (positive control):

no

Results and discussion

Bioaccumulation factor

Type:

BCF

Value:

4.843 L/kg

Basis:

whole body w.w.

Calculation basis:

other: QSAR calculation

Details on results:

Using the regression-based estimate (traditional method) of the computer program BCFBAF from US-EPA a Bioconcentration Factor (BCF) of 4.843 L/kg wet-wt was calculated.

Any other information on results incl. tables

Using the regression-based estimate (traditional method) of the computer program BCFBAF from US-EPA a Bioconcentration Factor (BCF) of 4.84 L/kg wet-wt was calculated for the active substance Diallyl-2,2'-oxydiethyl dicarbonate. Using the Arnot-Gobas method, which is based on mechanistic first principles, an aquatic BCF of 4.627 L/kg wet-wt is the result.

The whole body primary biotransformation rate estimate for fish results in a half-life of 0.08888 days, whereby the bio half-life is normalized to 10 g fish at 15 °C. The rate constant (kM) for 10 g fish is 7.799/day. This is taken into account to predict the apparent metabolism half-life in fish of Diallyl-2,2'-oxydiethyl dicarbonate. With the Arnot-Gobas method it is possible to differentiate between three trophic levels. For the lower trophic level the BCF results in 2.771 L/kg wet-wt, for a mid trophic level the result is 2.963 L/kg wet-wt and for the higher trophic level 3.6 L/kg wet-wt.

Applicant's summary and conclusion

Validity criteria fulfilled:

yes

Conclusions:

BCF = 4.843

Executive summary:

The Bioconcentration Factor (BCF) was determined for 'diallyl 2,2'oxydiethyl dicarbonate" by calculation. This calculation was performed by the computer program from US-EPA (EPIWIN software BCFBAF v3.00). Estimation: BCF = 4.843

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.