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: CC1=CCC(CC1)C(C)(C)O
Key result
Type:
BCF
Value:
67.8 L/kg
Remarks on result:
other: (Log BCF from regression-based method = 1.83; log Kow used: 3.28)

The BCF of l-alpha terpineol was 67.8 L/kg wet-wt (log BCF from regression-based method = 1.83).

Validity criteria fulfilled:
not applicable
Conclusions:
The BCF of l-alpha terpineol was 67.8 L/kg wet-wt (log BCF from regression-based method = 1.83).
Executive summary:

Using the BCFBAF v3.01 model of EPI Suite v4.11, the BCF of l-alpha terpineol was 67.8 L/kg wet-wt (log BCF from regression-based method = 1.83).

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: CC(C)C1(O)CCC(=CC1)C
Key result
Type:
BCF
Value:
65.8 L/kg
Remarks on result:
other: (Log BCF from regression-based method = 1.82; log Kow used: 3.26)

The BCF of (+)-terpinen-4-ol was 65.8 L/kg wet-wt (log BCF from regression-based method = 1.82).

Validity criteria fulfilled:
not applicable
Conclusions:
The BCF of (+)-terpinen-4-ol was 65.8 L/kg wet-wt (log BCF from regression-based method = 1.82).
Executive summary:

Using the BCFBAF v3.01 model of EPI Suite v4.11, the BCF of (+)-terpinen-4-ol was 65.8 L/kg wet-wt (log BCF from regression-based method = 1.82).

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: CC(C)C1(O)CCC(=CC1)C
Key result
Type:
BCF
Value:
65.8 L/kg
Remarks on result:
other: (Log BCF from regression-based method = 1.82; log Kow used: 3.26)

The BCF of (-)-terpinen-4-ol was 65.8 L/kg wet-wt (log BCF from regression-based method = 1.82).

Validity criteria fulfilled:
not applicable
Conclusions:
The BCF of (-)-terpinen-4-ol was 65.8 L/kg wet-wt (log BCF from regression-based method = 1.82).
Executive summary:

Using the BCFBAF v3.01 model of EPI Suite v4.11, the BCF of (-)-terpinen-4-ol was 65.8 L/kg wet-wt (log BCF from regression-based method = 1.82).

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: CC(C)C1=CCC(C)(O)CC1
Key result
Type:
BCF
Value:
73.3 L/kg
Remarks on result:
other: (Log BCF from regression-based method = 1.87; log Kow used: 3.33)

The BCF of 3-terpinen-1-ol was 73.3 L/kg wet-wt (log BCF from regression-based method = 1.87).

Validity criteria fulfilled:
not applicable
Conclusions:
The BCF of 3-terpinen-1-ol was 73.3 L/kg wet-wt (log BCF from regression-based method = 1.87).
Executive summary:

Using the BCFBAF v3.01 model of EPI Suite v4.11, the BCF of 3-terpinen-1-ol was 73.3 L/kg wet-wt (log BCF from regression-based method = 1.87).

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: CC12CCC(C1)C(C)(C)C2O
Key result
Type:
BCF
Value:
57.4 L/kg
Remarks on result:
other: (Log BCF from regression-based method = 1.76; log Kow used: 3.17)

The BCF of beta fenchol was 57.4 L/kg wet-wt (log BCF from regression-based method = 1.76).

Validity criteria fulfilled:
not applicable
Conclusions:
The BCF of beta fenchol was 57.4 L/kg wet-wt (log BCF from regression-based method = 1.76).
Executive summary:

Using the BCFBAF v3.01 model of EPI Suite v4.11, the BCF of beta fenchol was 57.4 L/kg wet-wt (log BCF from regression-based method = 1.76).

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: CC(=C)C1CCC(CC1)(O)C
Key result
Type:
BCF
Value:
82.6 L/kg
Remarks on result:
other: (Log BCF from regression-based method = 1.92; log Kow used: 3.41)

The BCF of beta terpineol-cis was 82.6 L/kg wet-wt (log BCF from regression-based method = 1.92).

Validity criteria fulfilled:
not applicable
Conclusions:
The BCF of beta terpineol-cis was 82.6 L/kg wet-wt (log BCF from regression-based method = 1.92).
Executive summary:

Using the BCFBAF v3.01 model of EPI Suite v4.11, the BCF of beta terpineol-cis was 82.6 L/kg wet-wt (log BCF from regression-based method = 1.92).

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: CC(=C)C1CCC(CC1)(O)C
Key result
Type:
BCF
Value:
82.6 L/kg
Remarks on result:
other: (Log BCF from regression-based method = 1.92; log Kow used: 3.41)

The BCF of beta terpineol-trans was 82.6 L/kg wet-wt (log BCF from regression-based method = 1.92).

Validity criteria fulfilled:
not applicable
Conclusions:
The BCF of beta terpineol-trans was 82.6 L/kg wet-wt (log BCF from regression-based method = 1.92).
Executive summary:

Using the BCFBAF v3.01 model of EPI Suite v4.11, the BCF of beta terpineol-trans was 82.6 L/kg wet-wt (log BCF from regression-based method = 1.92).

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: CC(C)C12CC1C(C)C=C2
Key result
Type:
BCF
Value:
420.3 L/kg
Remarks on result:
other: (Log BCF from regression-based method = 2.624; log Kow used: 4.48)

The BCF of beta thujene was 420.3 L/kg wet-wt (log BCF from regression-based method = 2.624).

Validity criteria fulfilled:
not applicable
Conclusions:
The BCF of beta thujene was 420.3 L/kg wet-wt (log BCF from regression-based method = 2.624).
Executive summary:

Using the BCFBAF v3.01 model of EPI Suite v4.11, the BCF of beta thujene was 420.3 L/kg wet-wt (log BCF from regression-based method = 2.624).

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: CC1(C)C2CCC1(C)C(O)C2
Key result
Type:
BCF
Value:
27.7 L/kg
Remarks on result:
other: (Log BCF from regression-based method = 1.44; log Kow used: 2.69)

The BCF of borneol was 27.7 L/kg wet-wt (log BCF from regression-based method = 1.44).

Validity criteria fulfilled:
not applicable
Conclusions:
The BCF of borneol was 27.7 L/kg wet-wt (log BCF from regression-based method = 1.44).
Executive summary:

Using the BCFBAF v3.01 model of EPI Suite v4.11, the BCF of borneol was 27.7 L/kg wet-wt (log BCF from regression-based method = 1.44).

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: CC1=CCC(CC1)C(C)(C)O
Key result
Type:
BCF
Value:
67.8 L/kg
Remarks on result:
other: (Log BCF from regression-based method = 1.83; log Kow used: 3.28)

The BCF of d-alpha terpineol was 67.8 L/kg wet-wt (log BCF from regression-based method = 1.83).

Validity criteria fulfilled:
not applicable
Conclusions:
The BCF of d-alpha terpineol was 67.8 L/kg wet-wt (log BCF from regression-based method = 1.83).
Executive summary:

Using the BCFBAF v3.01 model of EPI Suite v4.11, the BCF of d-alpha terpineol was 67.8 L/kg wet-wt (log BCF from regression-based method = 1.83).

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: COc1ccc(CC=C)cc1
Key result
Type:
BCF
Value:
90.1 L/kg
Remarks on result:
other: (Log BCF from regression-based method = 1.95; log Kow used: 3.47)

The BCF of estragole was 90.1 L/kg wet-wt (log BCF from regression-based method = 1.95).

Validity criteria fulfilled:
not applicable
Conclusions:
The BCF of estragole was 90.1 L/kg wet-wt (log BCF from regression-based method = 1.95).
Executive summary:

Using the BCFBAF v3.01 model of EPI Suite v4.11, the BCF of estragole was 90.1 L/kg wet-wt (log BCF from regression-based method = 1.95).

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: CC1=CCC(=CC1)C(C)C
Key result
Type:
BCF
Value:
433 L/kg
Remarks on result:
other: (Log BCF from regression-based method = 2.64; log Kow used: 4.50)

The BCF of gamma terpinene was 433 L/kg wet-wt (log BCF from regression-based method = 2.64).

Validity criteria fulfilled:
not applicable
Conclusions:
The BCF of gamma terpinene was 433 L/kg wet-wt (log BCF from regression-based method = 2.64).
Executive summary:

Using the BCFBAF v3.01 model of EPI Suite v4.11, the BCF of gamma terpinene was 433 L/kg wet-wt (log BCF from regression-based method = 2.64).

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: CC(=C1CCC(C)(O)CC1)C
Key result
Type:
BCF
Value:
89.3 L/kg
Remarks on result:
other: (Log BCF from regression-based method = 1.95; log Kow used: 3.46)

The BCF of gamma terpineol was 89.3 L/kg wet-wt (log BCF from regression-based method = 1.95).

Validity criteria fulfilled:
not applicable
Conclusions:
The BCF of gamma terpineol was 89.3 L/kg wet-wt (log BCF from regression-based method = 1.95).
Executive summary:

Using the BCFBAF v3.01 model of EPI Suite v4.11, the BCF of gamma terpineol was 89.3 L/kg wet-wt (log BCF from regression-based method = 1.95).

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: CC(C)C12CCC(C)(CC1)O2
Key result
Type:
BCF
Value:
42.3 L/kg
Remarks on result:
other: (Log BCF from regression-based method = 1.63; log Kow used: 2.97)

The BCF of isocineole was 42.3 L/kg wet-wt (log BCF from regression-based method = 1.63).

Validity criteria fulfilled:
not applicable
Conclusions:
The BCF of isocineole was 42.3 L/kg wet-wt (log BCF from regression-based method = 1.63).
Executive summary:

Using the BCFBAF v3.01 model of EPI Suite v4.11, the BCF of isocineole was 42.3 L/kg wet-wt (log BCF from regression-based method = 1.63).

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: CC(C)c1ccc(C)cc1
Key result
Type:
BCF
Value:
236 L/kg
Remarks on result:
other: (Log BCF from regression-based method = 2.37; log Kow used: 4.10)

The BCF of p-cymene was 236 L/kg wet-wt (log BCF from regression-based method = 2.37).

Validity criteria fulfilled:
not applicable
Conclusions:
The BCF of p-cymene was 236 L/kg wet-wt (log BCF from regression-based method = 2.37).
Executive summary:

Using the BCFBAF v3.01 model of EPI Suite v4.11, the BCF of p-cymene was 236 L/kg wet-wt (log BCF from regression-based method = 2.37).

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=C1C(C2)C2(C(C)C)CC1
Key result
Type:
BCF
Value:
576.8 L/kg
Remarks on result:
other: (Log BCF from regression-based method = 2.761; log Kow used: 4.69)

The BCF of sabinene was 576.8 L/kg wet-wt (log BCF from regression-based method = 2.761).

Validity criteria fulfilled:
not applicable
Conclusions:
The BCF of sabinene was 576.8 L/kg wet-wt (log BCF from regression-based method = 2.761).
Executive summary:

Using the BCFBAF v3.01 model of EPI Suite v4.11, the BCF of sabinene was 576.8 L/kg wet-wt (log BCF from regression-based method = 2.761).

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 28 -577 L/kg wet-wt for all main components. The BCF of the test substance has been determined to be the highest of the major components (>1%), i.e. 433 L/kg wet-wt, assuming the worst case scenario.

Key value for chemical safety assessment

BCF (aquatic species):
433 L/kg ww

Additional information

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

L-alpha terpineol: EPI-Suite, BCFBAF v3.01. The estimated BCF is 67.8 L/kg wet-wt (log BCF from regression-based method = 1.83)

D-alpha terpineol: EPI-Suite, BCFBAF v3.01. The estimated BCF is 67.8 L/kg wet-wt (log BCF from regression-based method = 1.83)

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

Gamma terpineol: EPI-Suite, BCFBAF v3.01. The estimated BCF is 89.3 L/kg wet-wt (log BCF from regression-based method = 1.95)

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

Isocineole: EPI-Suite, BCFBAF v3.01. The estimated BCF is 42.3 L/kg wet-wt (log BCF from regression-based method = 1.63)

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)

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

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

Gamma terpinene: EPI-Suite, BCFBAF v3.01. The estimated BCF is 433 L/kg wet-wt (log BCF from regression-based method = 2.64)

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)

3 -terpinen-1 -ol: EPI-Suite, BCFBAF v3.01. The estimated BCF is 73.3 L/kg wet-wt (log BCF from regression-based method = 1.87)

+/-terpinen-4 -ol: EPI-Suite, BCFBAF v3.01. The estimated BCF is 65.8 L/kg wet-wt (log BCF from regression-based method = 1.82)

Beta fenchol: EPI-Suite, BCFBAF v3.01. The estimated BCF is 57.4 L/kg wet-wt (log BCF from regression-based method = 1.76)

cis/trans beta terpineol: EPI-Suite, BCFBAF v3.01. The estimated BCF is 82.6 L/kg wet-wt (log BCF from regression-based method = 1.92)

Beta thujene: EPI-Suite, BCFBAF v3.01. The estimated BCF is 420.3 L/kg wet-wt (log BCF from regression-based method = 2.624)

Sabinene: EPI-Suite, BCFBAF v3.01. The estimated BCF is 576.8 L/kg wet-wt (log BCF from regression-based method = 2.761)

Paracymene: EPI-Suite, BCFBAF v3.01. The estimated BCF is 236 L/kg wet-wt (log BCF from regression-based method = 2.37)

Estragole: EPI-Suite, BCFBAF v3.01. The estimated BCF is 90.1 L/kg wet-wt (log BCF from regression-based method = 1.95)

Borneol: EPI-Suite, BCFBAF v3.01. The estimated BCF is 27.7 L/kg wet-wt (log BCF from regression-based method = 1.44)

Based on the composition of the substance and a weight of evidence approach, the bioconcentration factor (BCF) is determined to be 433 L/kg.