Registration Dossier

Environmental fate & pathways

Bioaccumulation: aquatic / sediment

Currently viewing:

Administrative data

Link to relevant study record(s)

Referenceopen allclose all

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
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: C(C(CC1C2)C1(C)C)(=C2)C
Key result
Type:
BCF
Value:
394.9 L/kg
Remarks on result:
other: (Log BCF from regression-based method = 2.597; log Kow used: 4.44)

The BCF of alpha pinene was 394.9 L/kg wet-wt (log BCF from regression-based method = 2.597).

Validity criteria fulfilled:
not applicable
Conclusions:
The BCF of alpha pinene was 394.9 L/kg wet-wt (log BCF from regression-based method = 2.597).
Executive summary:

Using the BCFBAF v3.01 model of EPI Suite v4.11, the BCF of alpha pinene was 394.9 L/kg wet-wt (log BCF from regression-based method = 2.597).

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
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: C(=CC=C(C1)C)(C1)C(C)C
Key result
Type:
BCF
Value:
296 L/kg
Remarks on result:
other: (Log BCF from regression-based method = 2.47; log Kow used: 4.25)

The BCF of alpha terpinene was 296 L/kg wet-wt (log BCF from regression-based method = 2.47).

Validity criteria fulfilled:
not applicable
Conclusions:
The BCF of alpha terpinene was 296 L/kg wet-wt (log BCF from regression-based method = 2.47).
Executive summary:

Using the BCFBAF v3.01 model of EPI Suite v4.11, the BCF of alpha terpinene was 296 L/kg wet-wt (log BCF from regression-based method = 2.47).

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
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: C(C(CC1C2)C2)(C1(C)C)=C
Key result
Type:
BCF
Value:
282.7 L/kg
Remarks on result:
other: (Log BCF from regression-based method = 2.451; log Kow used: 4.22)

The BCF of camphene was 282.7 L/kg wet-wt (log BCF from regression-based method = 2.451).

Validity criteria fulfilled:
not applicable
Conclusions:
The BCF of camphene was 282.7 L/kg wet-wt (log BCF from regression-based method = 2.451).
Executive summary:

Using the BCFBAF v3.01 model of EPI Suite v4.11, the BCF of camphene was 282.7 L/kg wet-wt (log BCF from regression-based method = 2.451).

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
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: CC12CCC(CC1)C(C)(C)O2
Key result
Type:
BCF
Value:
29.8 L/kg
Remarks on result:
other: (Log BCF from regression-based method = 1.47; log Kow used: 2.74)

The BCF of cineole was 29.8 L/kg wet-wt (log BCF from regression-based method = 1.47).

Validity criteria fulfilled:
not applicable
Conclusions:
The BCF of cineole was 29.8 L/kg wet-wt (log BCF from regression-based method = 1.47).
Executive summary:

Using the BCFBAF v3.01 model of EPI Suite v4.11, the BCF of cineole was 29.8 L/kg wet-wt (log BCF from regression-based method = 1.47).

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
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: C(=CCC(C(=C)C)C1)(C1)C
Key result
Type:
BCF
Value:
360.5 L/kg
Remarks on result:
other: (Log BCF from regression-based method = 2.557; log Kow used: 4.38)

The BCF of d-limonene was 360.5 L/kg wet-wt (log BCF from regression-based method = 2.557).

Validity criteria fulfilled:
not applicable
Conclusions:
The BCF of d-limonene was 360.5 L/kg wet-wt (log BCF from regression-based method = 2.557).
Executive summary:

Using the BCFBAF v3.01 model of EPI Suite v4.11, the BCF of d-limonene was 360.5 L/kg wet-wt (log BCF from regression-based method = 2.557).

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
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: C(=CCC(C(=C)C)C1)(C1)C
Key result
Type:
BCF
Value:
360.5 L/kg
Remarks on result:
other: (Log BCF from regression-based method = 2.557; log Kow used: 4.38)

The BCF of l-limonene was 360.5 L/kg wet-wt (log BCF from regression-based method = 2.557).

Validity criteria fulfilled:
not applicable
Conclusions:
The BCF of l-limonene was 360.5 L/kg wet-wt (log BCF from regression-based method = 2.557).
Executive summary:

Using the BCFBAF v3.01 model of EPI Suite v4.11, the BCF of l-limonene was 360.5 L/kg wet-wt (log BCF from regression-based method = 2.557).

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
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: C(=C(C)C)(CCC(=C1)C)C1
Key result
Type:
BCF
Value:
413.3 L/kg
Remarks on result:
other: (Log BCF from regression-based method = 2.616; log Kow used: 4.47)

The BCF of terpinolene was 413.3 L/kg wet-wt (log BCF from regression-based method = 2.616).

Validity criteria fulfilled:
not applicable
Conclusions:
The BCF of terpinolene was 413.3 L/kg wet-wt (log BCF from regression-based method = 2.616).
Executive summary:

Using the BCFBAF v3.01 model of EPI Suite v4.11, the BCF of terpinolene was 413.3 L/kg wet-wt (log BCF from regression-based method = 2.616).

Description of key information

Weight of evidence: BCFBAF v3.01 model of EPI Suite v4.11. The bioconcentration factor (BCF) was estimated to be in the range of 30 -413 L/kg wet-wt for all main components. The BCF of the test substance has been determined to be the highest of the main components, i.e. 413 L/kg wet-wt, assuming the worst case scenario.

Key value for chemical safety assessment

BCF (aquatic species):
413 L/kg ww

Additional information

Weight of evidence: The bioconcentration factor (BCF) of the main components are available from EpiSuite calculation:

Terpinolene: EPI-Suite, BCFBAF v3.01. The estimated BCF is 413.3 L/kg wet-wt (log BCF from regression-based method = 2.616).

Camphene: EPI-Suite, BCFBAF v3.01. The estimated BCF is 282.7 L/kg wet-wt (log BCF from regression-based method = 2.451)

L-Limonene: EPI-Suite, BCFBAF v3.01. The estimated BCF is 360.5 L/kg wet-wt (log BCF from regression-based method = 2.557)

D-Limonene: EPI-Suite, BCFBAF v3.01. The estimated BCF is 360.5 L/kg wet-wt (log BCF from regression-based method = 2.557)

Alpha terpinene: EPI-Suite, BCFBAF v3.01. The estimated BCF is 296 L/kg wet-wt (log BCF from regression-based method = 2.47)

Alpha pinene: EPI-Suite, BCFBAF v3.01. The estimated BCF is 394.9 L/kg wet-wt (log BCF from regression-based method = 2.597)

Cineole: EPI-Suite, BCFBAF v3.01. The estimated BCF is 29.8 L/kg wet-wt (log BCF from regression-based method = 1.47)

Based on the composition of the substance and a weight of evidence approach, the bioconcentration factor (BCF) is determined to be 413 L/kg.