Registration Dossier
Registration Dossier
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EC number: 222-884-9 | CAS number: 3648-20-2
Bioaccumulation: aquatic / sediment
Administrative data
Link to relevant study record(s)
- 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)
- 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).
Reference
The BCF of DUP 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.
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
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