Registration Dossier

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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.

The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.

Diss Factsheets

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Administrative data

Endpoint:
bioaccumulation in aquatic species: fish
Type of information:
(Q)SAR
Adequacy of study:
weight of evidence
Study period:
March 2020
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
results derived from a valid (Q)SAR model, but not (completely) falling into its applicability domain, with adequate and reliable documentation / justification

Data source

Reference
Reference Type:
other: QSAR
Title:
Unnamed
Year:
2020
Report date:
2020

Materials and methods

Principles of method if other than guideline:
QSAR model
GLP compliance:
no

Test material

Reference
Name:
Unnamed
Type:
Constituent
Test material form:
liquid: viscous

Results and discussion

Bioaccumulation factor
Type:
BCF
Value:
43.9 L/kg
Remarks on result:
not measured/tested
Remarks:
result from QSAR based on logKow

Any other information on results incl. tables

BCFBAF Program (v3.01) Results:

==============================

SMILES : c1ccc2ccccc2c1CCCCCCCCCCCCCCCCCC

CHEM  :

MOL FOR: C28 H44

MOL WT : 380.66

--------------------------------- BCFBAF v3.01 --------------------------------

Summary Results:

Log BCF (regression-based estimate): 1.64 (BCF = 43.9 L/kg wet-wt)

Log Kow (experimental): not available from database

Log Kow used by BCF estimates: 12.07

 

Equation Used to Make BCF estimate:

Log BCF = -0.49 log Kow + 7.554 + Correction

 

Correction(s):                   Value

No Applicable Correction Factors

 

Estimated Log BCF = 1.642 (BCF = 43.87 L/kg wet-wt)

 

 

Applicant's summary and conclusion

Conclusions:
Based on a QSAR calculation the BCF is 43.9 L/kg ww