Diundecyl phthalate

Bioaccumulation: aquatic / sediment

Link to relevant study record(s)

Reference

Endpoint:

bioaccumulation in aquatic species, other

Type of information:

(Q)SAR

Adequacy of study:

key study

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

results derived from a valid (Q)SAR model and falling into its applicability domain, with adequate and reliable documentation / justification

Remarks:

Internationally accepted method, EPI Suite, EPA (USA)

Justification for type of information:

See attached the QMRF and QPRF for the QSAR model.

Guideline:

other: REACH Guidance on QSARs R.6

Principles of method if other than guideline:

Meylan, W.M., Howard, P.H, Aronson, D., Printup, H. and S. Gouchie. 1997. "Improved Method for Estimating Bioconcentration Factor (BCF) from Octanol-Water Partition Coefficient", SRC TR-97-006 (2nd Update), July 22, 1997; prepared for: Robert S. Boethling, EPA-OPPT, Washington, DC; Contract No. 68-D5-0012; prepared by: ; Syracuse Research Corp., Environmental Science Center, 6225 Running Ridge Road, North Syracuse, NY 13212.
Meylan, W.M., Howard, P.H., Boethling, R.S. et al. 1999. Improved Method for Estimating Bioconcentration / Bioaccumulation Factor from Octanol/Water Partition Coefficient. Environ. Toxicol. Chem. 18(4): 664-672 (1999).

Specific details on test material used for the study:

SMILES: O=C(OCCCCCCCCCCC)c(c(ccc1)C(=O)OCCCCCCCCCCC)c1

Key result

Type:

BCF

Value:

21.36 L/kg

Remarks on result:

other: (Log BCF from regression-based method = 1.330; log Kow used: 11.49)

The BCF of DUP was 21.36 L/kg wet-wt (log BCF from regression-based method = 1.330).

Validity criteria fulfilled:

not applicable

Conclusions:

The BCF of diundecyl phthalate was 21.36 L/kg wet-wt (log BCF from regression-based method = 1.330).

Executive summary:

Using the BCFBAF v3.01 model of EPI Suite v4.11, the BCF of Diundecyl phthalate was 21.36 L/kg wet-wt (log BCF from regression-based method = 1.330).

Description of key information

Key study. Data from EPI-Suite, EPA (USA) / BCFBAF v3.01 calculation method. The BCF of the test substance was calculated to be 21.36 L/kg.

Key value for chemical safety assessment

BCF (aquatic species):

21.36 L/kg ww

Additional information

Key study. Using the BCFBAF v3.01 model of EPI Suite v4.11, the BCF of Diundecyl phthalate was 21.36 L/kg wet-wt (log BCF from regression-based method = 1.330).

According to Annex XIII to REACH, the substance is considered not to fulfil the criterion for bioaccumulation, since the estimated BCF (BCF = 21.36 L/kg wet-wt) is < 2000.