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Diss Factsheets

Environmental fate & pathways

Bioaccumulation: aquatic / sediment

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Administrative data

Link to relevant study record(s)

Reference
Endpoint:
bioaccumulation in aquatic species, other
Type of information:
calculation (if not (Q)SAR)
Adequacy of study:
weight of evidence
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
accepted calculation method
Justification for type of information:
Data is from computational model developed by USEPA
Qualifier:
according to guideline
Guideline:
other: Modeling database
Principles of method if other than guideline:
Prediction done using BCFBAF (v3.01) model
GLP compliance:
not specified
Specific details on test material used for the study:
- Name of test material: Alcohols, C13-15
- IUPAC name: Alcohols, C13-15
- Molecular formula: C13H280 + C15H32O
- Molecular weight: 208.78 g/mole
- Substance type: Organic
- Physical state: Liquid
- SMILES: CCCCCCCCCCCCCO
Radiolabelling:
not specified
Vehicle:
not specified
Test organisms (species):
other: Fish
Route of exposure:
aqueous
Test type:
other: estimation
Water / sediment media type:
natural water: freshwater
Test temperature:
25 deg.C
Reference substance (positive control):
not specified
Key result
Temp.:
25 °C
Type:
BCF
Value:
58.06 L/kg
Basis:
whole body w.w.
Calculation basis:
other: estimated
Remarks on result:
other: Non-bioaccumulative

BCFBAF Program (v3.01) Results:

==============================

SMILES : CCCCCCCCCCCCCO

CHEM :

MOL FOR: C13 H28 O1

MOL WT : 200.37

--------------------------------- BCFBAF v3.01 --------------------------------

Summary Results:

Log BCF (regression-based estimate): 1.76 (BCF = 58.1 L/kg wet-wt)

Biotransformation Half-Life (days) : 1.19 (normalized to 10 g fish)

Log BAF (Arnot-Gobas upper trophic): 2.68 (BAF = 476 L/kg wet-wt)

Log Kow (experimental): not available from database

Log Kow used by BCF estimates: 5.26

Equation Used to Make BCF estimate:

Log BCF = 0.6598 log Kow - 0.333 + Correction

Correction(s): Value

Alkyl chains (8+ -CH2- groups) -1.374

Estimated Log BCF = 1.764 (BCF = 58.06 L/kg wet-wt)

Validity criteria fulfilled:
not specified
Conclusions:
Using BCFBAF Program (v3.00) model of EPI suite (2017) the estimated bio concentration factor (BCF) for Alcohols, C13-15 (CAS No. 90604-31-2) is 58.06 L/kg wet-wt at 25 deg. c which does not exceed the bioconcentration threshold of 2000. Therefore it is concluded that test chemical Alcohols, C13-15 is non bioaccumulative in food chain.
Executive summary:

Using BCFBAF Program (v3.00) model of EPI suite (2017) the estimated bio concentration factor (BCF) for Alcohols, C13-15  (CAS No. 90604-31-2) is 58.06 L/kg wet-wt at 25 deg. c which does not exceed the bioconcentration threshold of 2000. Therefore it is concluded that test chemical Alcohols, C13-15 is non bioaccumulative in food chain.

Description of key information

Using BCFBAF Program (v3.00) model of EPI suite (2018) the estimated bio concentration factor (BCF) for Alcohols, C13-15  (CAS No. 90604-31-2) is 58.06 L/kg wet-wt at 25 deg. c which does not exceed the bioconcentration threshold of 2000. Therefore it is concluded that test chemical Alcohols, C13-15 is non bioaccumulative in food chain.

Key value for chemical safety assessment

BCF (aquatic species):
58.06 L/kg ww

Additional information

Predicted data study for target chemical Alcohols, C13-15 (CAS No. 90604-31-2) and experimental studies for its structurally similar red across chemical have been conducted and their results are summarized below for bioaccumulation endpoint.

 

In first study prediction was done by using BCFBAF Program (v3.00) model of Estimation Program Interface (EPI suite 2018) the estimated bio concentration factor (BCF) for Alcohols, C13-15  (CAS No. 90604-31-2) is 58.06 L/kg wet-wt at 25 deg. c which does not exceed the bioconcentration threshold of 2000. Therefore it is concluded that test chemical Alcohols, C13-15 is non bioaccumulative in food chain.

 

Next study was experimental study done from authoritative database (HSDB, 2017) in this study the BCF value of read across chemical 1-Nonanol (CAS no. 143-08-8) estimated was 160 dimensionless by using log Kow of 3.77 and regression derived equation and it is far less than 2000 criteria therefore it is concluded that read across chemical 1-Nonanol is non bioaccumulative.

 

Another experimental study was also done from authoritative database (HSDB, 2017) in this study the BCF value of another read across chemical 1-Nonene (CAS no. 121-11-8) estimated was 1843 dimensionless by using log Kow of 5.15 and regression derived equation and it is less than 2000 criteria therefore it is concluded that read across chemical 1-Nonene is non bioaccumulative.

 

By compiling results of all the studies mentioned above it can be concluded that test chemical Alcohols, C13-15 (CAS No. 90604-31-2) is non bioaccumulative in nature.