Registration Dossier

Environmental fate & pathways

Bioaccumulation: aquatic / sediment

Currently viewing:

Administrative data

Link to relevant study record(s)

Referenceopen allclose all

Endpoint:
bioaccumulation: aquatic / sediment
Type of information:
(Q)SAR
Adequacy of study:
weight of evidence
Study period:
Not applicable
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:
BCF value calculated by using a QSAR Method
Justification for type of information:
The provided data is QSAR data. The study report is provided as justification.
Reason / purpose:
reference to same study
Reason / purpose:
reference to other study
Qualifier:
no guideline required
Principles of method if other than guideline:
Calculations based on structure activity.
GLP compliance:
no
Remarks:
(not applicable)
Radiolabelling:
no
Details on sampling:
not applicable
Details on preparation of test solutions, spiked fish food or sediment:
not applicable
Test organisms (species):
no data
Details on test organisms:
No data
Route of exposure:
other: QSAR
Test type:
other: QSAR
Water / sediment media type:
not specified
Hardness:
not applicable
Test temperature:
not applicable
pH:
not applicable
Dissolved oxygen:
not applicable
TOC:
not applicable
Salinity:
not applicable
Details on test conditions:
not applicable
Nominal and measured concentrations:
not applicable
Reference substance (positive control):
not required
Remarks:
QSAR
Details on estimation of bioconcentration:
not applicable
Key result
Type:
BCF
Value:
65.21 L/kg
Basis:
whole body w.w.
Remarks on result:
other: Arnot-Gobas lower trophic (including biotransformation), BCFBAF v3.01 (logKow = 4.41)
Details on kinetic parameters:
no data
Metabolites:
no data
Results with reference substance (positive control):
no data
Details on results:
no data
Reported statistics:
no data

No additional information.

Validity criteria fulfilled:
yes
Conclusions:
BCF value of terpineol is 65.21 L/kg wet-wt using Arnot-Gobas approach.
Executive summary:

BCF value of terpineol has been assessed under BCFBAF v3.01 software.

The result for the Arnot-Gobas upper trophic approach (including no biotransformation) is the following:

BCF (L/kg) = 65.21.

Endpoint:
bioaccumulation: aquatic / sediment
Type of information:
(Q)SAR
Adequacy of study:
weight of evidence
Study period:
Not applicable
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:
BCF value calculated by using a QSAR Method
Justification for type of information:
The provided data is QSAR data. The study report is provided as justification.
Reason / purpose:
reference to same study
Reason / purpose:
reference to other study
Qualifier:
no guideline required
Principles of method if other than guideline:
Calculations based on structure activity.
GLP compliance:
no
Remarks:
(not applicable)
Radiolabelling:
no
Details on sampling:
not applicable
Details on preparation of test solutions, spiked fish food or sediment:
not applicable
Test organisms (species):
no data
Details on test organisms:
No data
Route of exposure:
other: QSAR
Test type:
other: QSAR
Water / sediment media type:
not specified
Hardness:
not applicable
Test temperature:
not applicable
pH:
not applicable
Dissolved oxygen:
not applicable
TOC:
not applicable
Salinity:
not applicable
Details on test conditions:
not applicable
Nominal and measured concentrations:
not applicable
Reference substance (positive control):
not required
Remarks:
QSAR
Details on estimation of bioconcentration:
not applicable
Key result
Type:
BCF
Value:
33.29 L/kg
Basis:
whole body w.w.
Remarks on result:
other: regression-based estimate, BCFBAF v3.01
Details on kinetic parameters:
no data
Metabolites:
no data
Results with reference substance (positive control):
no data
Details on results:
no data
Reported statistics:
no data

No additional information.

Validity criteria fulfilled:
yes
Conclusions:
BCF value of terpineol is 33.29 L/kg wet-wt with the regression-based approach.
Executive summary:

BCF value of terpineol has been assessed by using BCFBAF v3.01 software.

The results with the regression-based estimate approach (including biotransformation) is as following: BCF (L/kg) = 33.29.

Endpoint:
bioaccumulation: aquatic / sediment
Type of information:
read-across from supporting substance (structural analogue or surrogate)
Adequacy of study:
supporting study
Justification for type of information:
Terpinolene is an impurity of multiconstituent substance TERPINEOL MULTICONSTITUENT. Data on terpinolene are used as worst case data, in comparison with the main constituents of TERPINEOL MULTICONSTITUENT.
Reason / purpose:
read-across source
Type:
other: log BCF
Value:
2.524 dimensionless
Remarks on result:
other: regression-based estimate, BCFBAF v3.01
Key result
Type:
BCF
Value:
334.1 L/kg
Basis:
whole body w.w.
Remarks on result:
other: regression-based estimate, BCFBAF v3.01
Details on kinetic parameters:
no data
Metabolites:
no data
Results with reference substance (positive control):
no data
Details on results:
no data
Reported statistics:
no data

Information for approaches from BCFBAF v3.01 software are given through attached files (QMRF and QPRF).

Validity criteria fulfilled:
yes
Conclusions:
BCF value of CAS 586-62-9 is 334.0 L/kg wet-wt.
Executive summary:

BCF value of CAS 586-62-9 has been assessed by using BCFBAF v3.01 software.

The results with the regression-based estimate approach is as following:

- log BCF = 2.524 , BCF (L/kg) = 334.0

Endpoint:
bioaccumulation: aquatic / sediment
Type of information:
read-across from supporting substance (structural analogue or surrogate)
Adequacy of study:
supporting study
Justification for type of information:
Terpinolene is an impurity of multiconstituent substance TERPINEOL MULTICONSTITUENT. Data on terpinolene are used as worst case data, in comparison with the main constituents of TERPINEOL MULTICONSTITUENT.
Reason / purpose:
read-across source
Type:
other: Log BCF
Value:
2.913 dimensionless
Remarks on result:
other: Arnot-Gobas lower trophic (including biotransformation), BCFBAF v3.01 (logKow = 4.33)
Key result
Type:
BCF
Value:
818.4 L/kg
Basis:
whole body w.w.
Remarks on result:
other: Arnot-Gobas lower trophic (including biotransformation), BCFBAF v3.01 (logKow = 4.33)
Details on kinetic parameters:
no data
Metabolites:
no data
Results with reference substance (positive control):
no data
Details on results:
no data
Reported statistics:
no data

Information for approaches from BCFBAF v3.01 software are given through attached files (QMRF and QPRF).

Validity criteria fulfilled:
yes
Conclusions:
BCF value of CAS 586-62-9 is 818.4 L/kg wet-wt.
Executive summary:

BCF value of CAS 586-62-9 has been assessed under BCFBAF v3.01 software.

The results for the Arnot-Gobas lower trophic (including biotransformation) approach are as following:

- log BCF = 2.913, BCF (L/kg) = 818.4

Description of key information

The bioconcentration factor (BCF) was estimated by two QSAR models:
- BCFBAF v3.01 module of EPI Suite (v4.0) - Regression-based estimate
- BCF-BAF v3.01 module of EPI Suite (v4.0) (including biotransformation) - Arnot-Gobas lower trophic level

The estimated fish BCF of terpineol multiconstituent selected for risk assessment is the worst case value of 65.21 L/kg which does not take into account any biotransformation.

Data on terpinolene, one impurity of substance terpineol multiconstituent, are presented as worst case values for the chemical safety assessment.

Key value for chemical safety assessment

BCF (aquatic species):
65.21 L/kg ww

Additional information

The estimated fish BCF selected for terpineol multiconstituent is the worst case value of 65.21 L/kg which does not take into account any biotransformation.