4-(5,5,6-trimethylbicyclo[2.2.1]hept-2-yl)cyclohexan-1-ol

Bioaccumulation: aquatic / sediment

Link to relevant study record(s)

Reference

Endpoint:

bioaccumulation in aquatic species: fish

Type of information:

calculation (if not (Q)SAR)

Adequacy of study:

key study

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

accepted calculation method

Qualifier:

according to guideline

Guideline:

other: Modelling database

Principles of method if other than guideline:

Prediction done using Bioconcentration factor (v12.1.0.50374).This particular module provides bioconcentration factor (BCF) values over the entire pH scale. Calculations are performed for both neutral and ionic species present at a given pH and utilize predicted values for LogP as well as pKa. The BCF and Koc values characterize the tendency for a compound to accumulate in aquatic organisms and soil respectively, putting these two values among the most important ones in the assessment of environmental fate of chemicals.

GLP compliance:

not specified

Radiolabelling:

not specified

Vehicle:

not specified

Test organisms (species):

other: aquatic organisms

Route of exposure:

aqueous

Test type:

not specified

Water / sediment media type:

natural water: freshwater

Reference substance (positive control):

not specified

Type:

BCF

Value:

5 973 dimensionless

Basis:

whole body w.w.

Calculation basis:

other: no data

Remarks on result:

other: BCF reported at pH range 1-10

pH:

11

Type:

BCF

Value:

5 972 dimensionless

Basis:

whole body w.w.

Remarks on result:

other: log(BCF) = 3.8 ± 1.0

pH:

12

Type:

BCF

Value:

5 970 dimensionless

Basis:

whole body w.w.

Remarks on result:

other: log(BCF) = 3.8 ± 1.0

pH:

13

Type:

BCF

Value:

5 942 dimensionless

Basis:

whole body w.w.

Remarks on result:

other: log(BCF) = 3.8 ± 1.0

pH:

14

Type:

BCF

Value:

5 680 dimensionless

Basis:

whole body w.w.

Remarks on result:

other: log(BCF) = 3.8 ± 1.0

Validity criteria fulfilled:

not specified

Conclusions:

Using Bio-concentration Factor module Bio-concentration Factor of the test chemical was estimated to be 5973, 5972, 5970, 5942 and 5680 at pH range 1-10, 11, 12, 13 and 14, respectively.

Executive summary:

Using Bio-concentration Factor module Bio-concentration Factor of the test chemical was estimated to be 5973, 5972, 5970, 5942 and 5680 at pH range 1-10, 11, 12, 13 and 14, respectively. These value exceed the bio concentration threshold of 5000, indicating that the test chemical is expected to be very bioaccumulate in the aquatic organisms.

Description of key information

Using Bio-concentration Factor module Bio-concentration Factor of the test chemical was estimated to be 5973, 5972, 5970, 5942 and 5680 at pH range 1-10, 11, 12, 13 and 14, respectively. These value exceed the bio concentration threshold of 5000, indicating that the test chemical is expected to be very bioaccumulate in the aquatic organisms.

Key value for chemical safety assessment

BCF (aquatic species):

5 973 dimensionless

Additional information

Various predicted data of the test chemical were reviewed for the bioaccumulation end point which are summarized as below:

 

In a prediction done by using Bio-concentration Factor module (ACD (Advanced Chemistry Development)/I-Lab predictive module, 2017)), Bio-concentration Factor of the test chemical was estimated to be 5973, 5972, 5970, 5942 and 5680 at pH range 1-10, 11, 12, 13 and 14, respectively. These value exceed the bio concentration threshold of 5000, indicating that the test chemical is expected to be very bioaccumulate in the aquatic organisms.

 

Another predicted data was estimated using SciFinder database (American Chemical Society (ACS), 2017) for predicting the bioconcentration factor (BCF) of test chemical. The bioconcentration factor (BCF) of test chemical was estimated to be 6420 at pH range 1-10 respectively (at 25 deg C) which exceeds the bio concentration threshold of 5000, indicating that the test chemical is expected to be very bioaccumulative in the food chain.

 

On the basis of above results for test chemical, it can be concluded that the BCF value of test substance was evaluated to be ranges from 5680 to 6420, which exceeds the bioconcentration threshold of 5000, indicating that the test chemical is expected to be very bioaccumulative in the food chain.