Reaction product of di C8-C10, branched, C9 rich, alkylnaphthalene sulphonic acid and alkanolamine

Bioaccumulation: aquatic / sediment

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Administrative data

Endpoint:

bioaccumulation in aquatic species, other

Type of information:

(Q)SAR

Adequacy of study:

key study

Study period:

2013

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

other: applicable up-to-date QSAR model, used by EPA

Data source

Reference

Reference Type:

study report

Title:

Unnamed

Year:

2013

Report date:

2013

Materials and methods

Test guideline

Qualifier:

according to guideline

Guideline:

other: estimation methodology used by the BCF program is described in a document prepared for the U.S. Environmental Protection Agency (Meylan et al., 1997), published in journal article (Meylan et al, 1999)

GLP compliance:

no

Test material

Reference

Name:

Unnamed

Type:

Constituent

Test material form:

not specified

Details on test material:

Smiles code used as representative for major component within the UVCB substance: CCC(C)C(Cc1cc2c(cc1)cc(cc2S(O)(=O)=O)C(CC)C(CC)C(C)C)C(C)C, molecular formula C28H44O3S, molecular weight: 460.72 Dalton
logPOW used for caclulation: 8.52 and 6.60

Radiolabelling:

no

Test organisms

Test organisms (species):

other: fish (upper trophic, 10g)

Study design

Route of exposure:

aqueous

Water / sediment media type:

not specified

Test conditions

Test temperature:

the model operates on the basis of 15 °C water temperature

Results and discussion

Bioaccumulation factor

Type:

BCF

Value:

56 dimensionless

Basis:

whole body w.w.

Details on results:

As the logPOW is greater 6.6 and not exactly determined, two logPOW values were used as input parameters being 6.6 as worst case and 8.52 as estimated by the model. The BCF values determined by the tool were 56.2 L/kg w.w. and 10 L/kg w.w. respectively. The worst case value of 56 was taken forward for hazard and risk assessment and is reported as result. Details on methodolgy, validity of the model and parameters selected for input including rational are described in the attached report.

Applicant's summary and conclusion

Validity criteria fulfilled:

yes

Conclusions:

Based on worst case assumption (logPOW of 6.6) the QSAR estimation model caclulated a BCF value of 56.2 L/kg w.w.

Executive summary:

The bioaccumulation of the reference substance was assessed by using a validated QSAR model which is well established and approved by the US EPA for more than a decade. As no definite measured logPOW is available for the substance (measurements resulted in >6.6, which was the upper limit of validity of the method) the BCF QSAR model was used by applying the lower limit of possible logPOW value (i.e. 6.6) and in addition the logPOW which was estimated by the model based on the structure of the substance (i.e. 8.52). The BCF values resulting from these input parameters were 56.2 and 10 L/kg w.w. respectively and the highest value (based on a log POW of 6.6) has been chosen as result of this QSAR considered as a worst case estimate (i.e. 56.2 L/kg w.w.) which is taken forward for hazard and risk assessment.