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Environmental fate & pathways

Bioaccumulation: aquatic / sediment

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Reference
Endpoint:
bioaccumulation in aquatic species, other
Remarks:
aquatic organisms
Type of information:
experimental study
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
data from handbook or collection of data
Justification for type of information:
Data is from HSDB and PubChem authoritative database
Qualifier:
according to
Guideline:
other: as mentioned below
Principles of method if other than guideline:
Environmental bioconcentration factor of the test chemical was estimated using a log Kow and a regression-derived equation.
GLP compliance:
not specified
Specific details on test material used for the study:
- Name of test material (IUPAC Name): 1-Tridecanol
- Common name: 1-Tridecyl alcohol
- Molecular formula: C13H28O
- Molecular weight: 200.3632 g/mol
- Smiles notation: C(CCCCCCO)CCCCCC
- InChI: 1S/C13H28O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h14H,2-13H2,1H3
- Substance type: Organic
- Physical state:Solid
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
Details on estimation of bioconcentration:
BASIS FOR CALCULATION OF BCF
- Result based on measured log Pow of: 5.82
Type:
BCF
Value:
600 dimensionless
Basis:
whole body w.w.
Calculation basis:
other: BCF value of test chemical was estimated using a log Kow and a regression-derived equation.
Remarks on result:
other: Other details not known
Validity criteria fulfilled:
not specified
Conclusions:
The estimated BCF (bioaccumulation factor) of test chemical was determined to be 600 dimensionless.
Executive summary:

The bioaccumulation study in fishwas conducted for estimating the BCF (bioaccumulation factor) value of test chemical. The bioaccumulation factor (BCF) value was calculated using a log Kow of 5.82 and a regression-derived equation. The estimated BCF (bioaccumulation factor) valueof test chemical was determined to be 600 dimensionless, which does not exceed the bioconcentration threshold of 2000, indicating that the test chemical is considered to be non-accumulative in aquatic organisms.

Description of key information

The bioaccumulation study in fishwas conducted for estimating the BCF (bioaccumulation factor) value of test chemical (HSDB and PubChem, 2017). The bioaccumulation factor (BCF) value was calculated using a log Kow of 5.82 and a regression-derived equation. The estimated BCF (bioaccumulation factor) valueof test chemical was determined to be 600 dimensionless, which does not exceed the bioconcentration threshold of 2000, indicating that the test chemical is considered to be non-accumulative in aquatic organisms.

Key value for chemical safety assessment

BCF (aquatic species):
600 dimensionless

Additional information

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

 

In an experimental key study from authoritative database (HSDB and PubChem, 2017) for the test chemical, bioaccumulation study in fish was conducted for estimating the BCF (bioaccumulation factor) value of test chemical. The bioaccumulation factor (BCF) value was calculated using a log Kow of 5.82 and a regression-derived equation. The estimated BCF (bioaccumulation factor) value of test chemical was determined to be 600 dimensionless.

 

Another bioaccumulation study in aquatic organisms was conducted for estimating the BCF (bioaccumulation factor) value of test chemical (OECD SIDS, 2006). The bioaccumulation factor (BCF) value was calculated using a log Kow of 5.51 and SRC BCFWIN program. The estimated BCF (bioaccumulation factor) value of test chemical was evaluated to be 349 dimensionless.

 

In a prediction done using the BCFBAF Program (v3.01) of Estimation Programs Interface (EPI Suite, 2018) was used to predict the bioconcentration factor (BCF) of test chemical. The bioconcentration factor (BCF) of test chemical was estimated to be 58.06 L/kg whole body w.w (at 25 deg C).

 

From CompTox Chemistry Dashboard using OPERA (OPEn (quantitative) structure-activity Relationship Application) V1.02 model in which calculation based on PaDEL descriptors (calculate molecular descriptors and fingerprints of chemical), the bioaccumulation i.e BCF for test chemical was estimated to be 1520 dimensionless. The predicted BCF result based on the 5 OECD principles.

 

In a supporting study from peer reviewed journal (D. Freitag et. al; 1982) and authoritative database (HSDB and PubChem, 2017) for the test chemical, bioaccumulation experiment in Leuciscus idus melanotus (golden orfe fish) was carried out for 3 days for determining the environmental bioconcentration factor (BCF) value of test chemical. Test chemical was radiolabelled at a position U-14Cand has a specific activity of4.6 mCi/mmol. Five golden orfes (Leuciscus idus melanotus), 5-6 cm long, about 1.5 g in weight, in 10 liters water (5 liters tap water of 160- 170 mg CaO/liter hardness + 5 liters deionized water) was used as a test organism for the study. The study was performedunder static conditions at a temperature of 20-25⁰C, respectively. Test organism was not feed or aerated during the tests. Flask of 12.5 liters was used as a test vessel for the study. Test chemical concentration used for the study was 0.05 mg/l, respectively. Chemical concentration in the water was determined by taking daily samples and replenishing appropriately if necessary. After 3 days of the study, the bioaccumulation factor was calculated. The BCF (bioaccumulation factor) of test chemical in Leuciscus idus melanotus (golden orfe fish) after 3 days was determined to be 56 dimensionless.

 

For the test chemical,bioaccumulation study in fish was conducted for estimating the BCF (bioaccumulation factor) value of test chemical (authoritative database, 2017). The bioaccumulation factor (BCF) value was calculated using a log Kow of 5.13 and a regression-derived equation. The estimated BCF (bioaccumulation factor) value of test chemical was determined to be 48 dimensionless.

 

In a supporting study for the test chemical from authoritative database (HSDB, 2017),bioaccumulation study in fish was conducted for estimating the BCF (bioaccumulation factor) value of test chemical. The bioaccumulation factor (BCF) value was calculated using a log Kow of 4.57 and a regression-derived equation. The estimated BCF (bioaccumulation factor) value of test chemical was determined to be 20 dimensionless.

 

On the basis of above results for test chemical, it can be concluded that the BCF value of test chemicalupto1520,which does not exceed the bioconcentration threshold of 2000, indicating that the test chemical is not expected to bioaccumulate in the food chain.