Registration Dossier
Registration Dossier
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EC number: 701-015-1 | CAS number: 2156592-72-0
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:
- weight of evidence
- 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
- Justification for type of information:
- 1. SOFTWARE: EPI Suite
2. MODEL (incl. version number): BCFBAF v3.01
3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL: CCCCCCCCCCC(CCCCCCCCCC)c1ccc(S(=O)(=O)O)cc1 - 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.
- Type:
- BCF
- Value:
- 41.91 L/kg
- Basis:
- whole body w.w.
- Remarks on result:
- other: Based on Arnot-Gobas method (upper trophic)
- Type:
- other: log BCF
- Value:
- 1.622 dimensionless
- Remarks on result:
- other: Based on Arnot-Gobas method (upper trophic)
- Conclusions:
- BCFBAF v3.01 was used for the bioaccumulation calculation. The log BCF was 1.622. The BCF was determined to be 41.91 based on the Arnot-Gobas method (upper trophic). This indicates a low potential for the test substances to bioaccumulate.
- Endpoint:
- bioaccumulation in aquatic species, other
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- 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
- Justification for type of information:
- 1. SOFTWARE: EPI Suite
2. MODEL (incl. version number): BCFBAF v 3.01
3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL: CCCCCCCCCCCCC(CCCCCCCCCCC)c1ccc(S(=O)(=O)O)cc1 - 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.
- GLP compliance:
- no
- Type:
- BCF
- Value:
- 4.19 L/kg
- Basis:
- whole body w.w.
- Remarks on result:
- other: Based on Arnot-Gobas method (upper trophic)
- Type:
- other: log BCF
- Value:
- 0.622 dimensionless
- Remarks on result:
- other: Based on Arnot-Gobas method (upper trophic)
- Validity criteria fulfilled:
- not applicable
- Conclusions:
- BCFBAF v3.01 was used for the bioaccumulation calculation. The log BCF is 0.622. The BCF was determined to be 4.191 based on the Arnot-Gobas method (upper trophic). This indicates a low potential for the test substances to bioaccumulate.
Referenceopen allclose all
Bioaccumulation Estimates (BCFBAF v3.01):
Log BCF from regression-based method = 1.850 (BCF = 70.79 L/kg wet-wt)
Log Biotransformation Half-life (HL) = 1.4797 days (HL = 30.18 days)
Bio Half-life normalised to 10 g fish at 15 °C
Log BCF Arnot-Gobas method (upper trophic) = 1.622 (BCF = 41.91 L/kg wet-wt)
Log BAF Arnot-Gobas method (upper trophic) = 4.484 (BAF = 3.046e+004 L/kg wet-wt)
log Kow used: 9.13 (estimated)
Bioaccumulation Estimates (BCFBAF v3.01):
Log BCF from regression-based method = 1.850 (BCF = 70.79 L/kg wet-wt)
Log Biotransformation Half-life (HL) = 1.8972 days (HL = 78.92 days)
Bio Half-life normalised to 10 g fish at 15 °C
Log BCF Arnot-Gobas method (upper trophic) = 0.622 (BCF = 4.19 L/kg wet-wt)
Log BAF Arnot-Gobas method (upper trophic) = 3.814 (BAF = 6509 L/kg wet-wt)
log Kow used: 10.60 (estimated)
Description of key information
No study on bioaccumulation is available with the substance. Therefore, the bioaccumulation profile of substance was calculated using BCFBAF v3.01. The log BCF was 0.622-1.622. The BCF was determined to be 4.19-41.91 based on the Arnot-Gobas method (upper trophic). This indicates a low potential for the test substances to bioaccumulate.
Key value for chemical safety assessment
Additional information
The bioaccumulation profile of substance was calculated using EPIWIN (BCFBAF v3.01). Based on these calculations, the substance has a low potential to bioaccumulate.
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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