Registration Dossier

Administrative data

Endpoint:
bioaccumulation: aquatic / sediment
Type of information:
calculation (if not (Q)SAR)
Remarks:
Migrated phrase: estimated by calculation
Adequacy of study:
key study
Study period:
2011 Calculated
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: The reliability rating was 2 because the data are calculated

Data source

Reference
Reference Type:
other: Computer model
Title:
Unnamed
Year:
2009

Materials and methods

Test guideline
Qualifier:
according to
Guideline:
other: Computer Model
Principles of method if other than guideline:
Formerly called BCFWIN™, this program estimates fish bioconcentration factor and its logarithm using two different methods. The first is the traditional regression based on log KOW plus any applicable correction factors, and is analogous to the WSKOWWIN™ method. The second is the Arnot-Gobas method, which calculates BCF from mechanistic first principles. BCFBAF also incorporates prediction of apparent metabolism half-life in fish, and estimates BCF and BAF for three trophic levels.
GLP compliance:
no

Test material

Reference
Name:
Unnamed
Type:
Constituent
Details on test material:
SMILES notation used: CC(C1=CC=C(C(CCCCCCCCCCCC)C)C2=CC=CC=C21)CCCCCCCCCCCC and CC(C1=CC=C(C(CCCCCCCCCCCC)C)C2=CC=C(C(C)CCCCCCCCCCCC)C=C21)CCCCCCCCCCCC

The above SMILES represent possible isomers for the C38H64 and C52H92 components (i.e., major components) comprising the UVCB test substance. These SMILES were used in the Epi-Suite calculations.
Radiolabelling:
no

Results and discussion

Bioaccumulation factoropen allclose all
Type:
other: BCF (Arnot-Gobas method)
Value:
0.893 L/kg
Basis:
other: Calculated
Time of plateau:
0 d
Calculation basis:
other: EPiSuite 4.0 BCFBAF v3.00
Remarks on result:
other: C38H64 Component
Remarks:
Conc.in environment / dose:NA
Type:
other: BAF (Arnot-Gobas method)
Value:
0.948 L/kg
Basis:
other: Calculated
Time of plateau:
0 d
Calculation basis:
other: EPI Suite 4.0 BCFBAF v 3.0
Remarks on result:
other: C38H64 Component
Remarks:
Conc.in environment / dose:NA
Type:
other: BCF (Arnot-Gobas method)
Value:
0.893 L/kg
Basis:
other: Calculated
Time of plateau:
0 d
Calculation basis:
other: EPISuite 4.0 BCFBAF v3.0
Remarks on result:
other: C52H92 Component
Remarks:
Conc.in environment / dose:NA
Type:
other:
Value:
0.893 L/kg
Basis:
other: calculated
Time of plateau:
0 d
Calculation basis:
other: EPISuite 4.0 BCFBAF
Remarks on result:
other: C52H92 Component
Remarks:
Conc.in environment / dose:NA

Any other information on results incl. tables

Time of plateau was not applicable to calculated BCF or BAF values. Value of 0 day was entered so as to fill in field since there was no choice to enter none or not applicable.

Applicant's summary and conclusion

Validity criteria fulfilled:
yes
Conclusions:
The test substance has a low potential to bioconcentrate, based on the estimated BCF value of 0.893 and BAF values of 0.893-0.9475 for the major components from EPI Suite v4.0. This indicates that the substance is not likely to be bioaccumulative.
Executive summary:

The test substance has a low potential to bioconcentrate, based on the estimated BCF value of 0.893 and BAF values of 0.893 to 0.9475 for its major components. In addition, the submission substance has a Log Kow >10 (OECD 117, HPLC method).  As pointed out in the REACH guidance document, Chapter R11.1.3.2 (bioaccumulation assessment, pg 28), “the aquatic BCF of a substance is probably lower than 2000 L/kg if the calculated Log Kow is higher than 10” (ECHA 2008).  Collectively, these calculations support the conclusion that submission substance is not expected to be bioaccumulative.