Registration Dossier

Environmental fate & pathways

Bioaccumulation: aquatic / sediment

Currently viewing:

Administrative data

Endpoint:
bioaccumulation in aquatic species: fish
Type of information:
(Q)SAR
Adequacy of study:
supporting study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
results derived from a (Q)SAR model, with limited documentation / justification, but validity of model and reliability of prediction considered adequate based on a generally acknowledged source
Justification for type of information:
The results were obtained from BCFBAFWIN v3.01 which is generally recognised as a reliable method for prediction of bioconcentration factor for chemical structures such as those present in the registration substance.

Data source

Reference
Reference Type:
other:
Title:
Unnamed
Year:
2012
Report Date:
2012

Materials and methods

Test guideline
Guideline:
other: QSAR
Version / remarks:
BCFBAFWIN v3.01

Test material

Reference
Name:
Unnamed
Type:
Constituent

Results and discussion

Any other information on results incl. tables

Table: Predicted BCF values for constituents of Reaction Products of C3 alcohols and C3 alkenes

Constituent type

SMILES

Predicted BCF (L/kg) (BCFBAFWIN v3.01)

Predicted log Kow (KOWWIN v1.68)

Diisopropylether

CC(C)OC(C)C

4.676

1.52

C3 alcohol

CCCO

3.162

0.25

C3 alcohol

CC(O)C

3.162

0.05

C6 alcohol

CC(O)CCCC

6.734

1.76

C6 alcohol

CC(C)(O)CCC

6.261

1.71

C6 alcohol

CCC(C)(O)CC

6.261

1.71

C6 alcohol

CC(O)CC(C)C

5.929

1.68

C6 alcohol

CC(C)C(O)CC

5.929

1.68

C6 alcohol

CC(O)C(C)CC

5.929

1.68

C6 alkane

CC(C)C(C)C

83.85

3.42

C6 alkane

CC(C)CCC

61.37

3.21

C6 alkane

CCC(C)CC

110.2

3.60

C6 alkane

C1CCCCC1

86.44

3.44

C6 alkene

C=C(C)CCC

60.74

3.21

C9 alkane

CCCCCCCCC

104.9

5.65

C9 alkane

CC(C)CCCCCC

575.5

4.69

C9 alkene

C=CCCCCCCC

1161

5.15

C9 alkene

C=CC(C)CCCCC

467.8

4.55

C3 alkene

CC=C

6.837

1.77

2-Propanone

CC(=O)C

3.162

-0.24

1-Isopropoxypropane

CCCOC(C)C

9.095

1.96

Applicant's summary and conclusion

Conclusions:
The highest predicted bioconcentration factor (BCF) for constituents of Reaction Products of C3 alcohols and C3 alkenes is a value of 1161 L/kg, relating to C9 unsaturated hydrocarbons (modelled as nonene). There is therefore no concern regarding bioaccumulation potential of the registration substance.