Registration Dossier

Administrative data

Endpoint:
bioaccumulation: aquatic / sediment
Type of information:
(Q)SAR
Adequacy of study:
other information
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: see 'Remark'
Remarks:
use of an acknowledged and reliable calculation method (ACD/LogD Suite) to obtain the Log Pow value and application of the relationships recommended by the Technical Guidance Document on Risk Assessment (Directive 98/8/EC) to calculate the Log BCF value from the Log Pow value
Justification for type of information:
QSAR prediction: migrated from IUCLID 5.6

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2010
Report Date:
2010

Materials and methods

Test guideline
Guideline:
other: program ACD/LogD Suite and formulas from the Technical Guidance Document (TGD) for Risk Assessment
Principles of method if other than guideline:
The ACD/LogD Suite Program (Version 10, Advanced Chemistry Development, Toronto, Canada ) estimates the Log n-octanol/water partition coefficient (log POW) of organic chemicals by using a molecule fragment contribution method. The Log BFC value is estimated in a second step with the help of the equation Log BCF = 0.85*Log Pow – 0.7. The equation is taken from Technical Guidance Document (TGD) on Risk Assessments (Directive 98/8/EC).
GLP compliance:
no

Test material

Reference
Name:
Unnamed
Type:
Constituent

Test organisms

Test organisms (species):
other: QSAR, no organisms necessary

Study design

Route of exposure:
other: n.a.
Test type:
other: QSAR method (ACD/LogD Suite)/ formula from TGD

Test conditions

Details on estimation of bioconcentration:
The ACD/LogD Suite Program (Version 10, Advanced Chemistry Development, Toronto, Canada ) estimates the Log n-octanol/water partition coefficient (log POW) of organic chemicals by using a molecule fragment contribution method. The Log BFC value is estimated in a second step with the help of the equation Log BCF = 0.85*Log Pow – 0.7. The equation is taken from Technical Guidance Document (TGD) on Risk Assessments (Directive 98/8/EC)

Results and discussion

Bioaccumulation factor
Type:
other: Log BCF
Value:
1.5 dimensionless
Calculation basis:
other: QSAR method

Applicant's summary and conclusion

Validity criteria fulfilled:
not applicable
Conclusions:
The Log BCF value is calculated as 1.5. The value is not dependent on the pH value.