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Environmental fate & pathways

Bioaccumulation: aquatic / sediment

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Reference
Endpoint:
bioaccumulation in aquatic species: fish
Type of information:
(Q)SAR
Adequacy of study:
key study
Study period:
09/01/19
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:
Calculation of bioconcentration factors to determine the potential for bioaccumulation of chemicals is acceptable provided that a recognised and scientifically robust method is used. The TGD includes two methods for calculation of a BCF QSAR depending on the molecular weight and log Kow. This approach is considered to be acceptable with restrictions.
Justification for type of information:
Calculation of bioconcentration factors to determine the potential for bioaccumulation of chemicals is acceptable provided that a recognised and scientifically robust method is used. The TGD includes two methods for calculation of a BCF QSAR depending on the molecular weight and log Kow. This approach is considered to be acceptable with restrictions.
Principles of method if other than guideline:
BCF was calculated using the US EPA Episuite V4.11 program using a Log Kow of 3.42.
GLP compliance:
no
Remarks:
Calculated result
Details on estimation of bioconcentration:
The bioconcentration potential of 2,3-dimethylbutane was estimated using the Episuite program v 4.11 provided by the US EPA. This QSAR model is well documented and peer reviewed. The input parameters included: CAS Number: 79-29-8 and a log Kow of 3.42.
Key result
Type:
BCF
Value:
83.85 L/kg
Basis:
not specified
Calculation basis:
other:
Remarks on result:
other: Based on QSAR calculation
Details on results:
The log Bioconcentration Factor for 2,3-dimethylbutane is reported to be 1.924 which corresponds to a bioconcentration factor (BCF) of 83.85 l/kg w/w.
Validity criteria fulfilled:
not applicable
Conclusions:
The log Bioconcentration Factor for 2,3-dimethylbutane is calculated to be 1.924 which corresponds to a bioconcentration factor (BCF) of 83.85 l/kg w/w.
Executive summary:

The bioconcentration potential of 2,3-dimethylbutane was estimated using the Episuite program v 4.11 provided by the US EPA. This QSAR model is well documented and peer reviewed. The input parameters included: CAS Number: 79 -29 -8 and a log Kow of 3.42. The log Bioconcentration Factor for 2,3-dimethylbutane is reported to be 1.924 which corresponds to a bioconcentration factor (BCF) of 83.85 l/kg w/w.

Description of key information

The log Bioconcentration Factor for 2,3-dimethylbutane is calculated to be 1.924 which corresponds to a bioconcentration factor (BCF) of 83.85 l/kg w/w.

Based on a category-approach data are read-across from Isohexane.

The BCF of iso-hexane is calculated as 501.187.

Key value for chemical safety assessment

BCF (aquatic species):
83.85 L/kg ww

Additional information