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Environmental fate & pathways

Bioaccumulation: aquatic / sediment

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Reference
Endpoint:
bioaccumulation in aquatic species, other
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
Justification for type of information:
Data is from EPI suite modeling database
Qualifier:
according to
Guideline:
other: Modelling database
Principles of method if other than guideline:
BCFBAF Program (v3.00)
GLP compliance:
no
Specific details on test material used for the study:
- Name of test material: 2,2,2-Trichloroethane-1,1-diol (Chloral hydrate)
- Molecular formula: C2-H3-Cl3-O2
- Molecular weight: 165.4026g/mol
- Smiles notation: C(C(O)O)(Cl)(Cl)Cl
- InChl: RNFNDJAIBTYOQL-UHFFFAOYSA-N
- Substance type: Organic
- Physical state: Solid
Radiolabelling:
not specified
Vehicle:
not specified
Test organisms (species):
other: Fish
Route of exposure:
aqueous
Test type:
not specified
Water / sediment media type:
not specified
Reference substance (positive control):
not specified
Key result
Type:
BCF
Value:
3.162 L/kg
Basis:
whole body w.w.
Calculation basis:
other: estimated
Remarks on result:
other: Non bioaccumulative

BCFBAF Program (v3.01) Results:

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

SMILES : OC(O)C(CL)(CL)CL

CHEM : 1,1-Ethanediol, 2,2,2-trichloro-

MOL FOR: C2 H3 CL3 O2

MOL WT : 165.40

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

Summary Results:

Log BCF (regression-based estimate): 0.50 (BCF = 3.16 L/kg wet-wt)

Biotransformation Half-Life (days) : 0.0649 (normalized to 10 g fish)

Log BAF (Arnot-Gobas upper trophic): 0.21 (BAF = 1.63 L/kg wet-wt)

Log Kow (experimental): 0.99

Log Kow used by BCF estimates: 0.99

Equation Used to Make BCF estimate:

Log BCF = 0.50

Correction(s): Value

Correction Factors Not Used for Log Kow < 1

Estimated Log BCF = 0.500 (BCF = 3.162 L/kg wet-wt)

Validity criteria fulfilled:
not specified
Conclusions:
The estimated bioconcentration factor (BCF) for 2,2,2-trichloroethane-1,1-diol is 3.162 L/kg wet-wt which does not exceed the bioconcentration threshold of 2000. Thus it is concluded that 2,2,2-trichloroethane-1,1-diol is not expected to bioaccumulate in the food chain.
Executive summary:

The estimated bioconcentration factor (BCF) for 2,2,2-trichloroethane-1,1-diol is 3.162 L/kg wet-wt which does not exceed the bioconcentration threshold of 2000. Thus it is concluded that 2,2,2-trichloroethane-1,1-diol is not expected to bioaccumulate in the food chain.

Description of key information

The estimated bioconcentration factor (BCF) for 2,2,2-trichloroethane-1,1-diol is 3.162 L/kg wet-wt which does not exceed the bioconcentration threshold of 2000. Thus it is concluded that 2,2,2-trichloroethane-1,1-diol is not expected to bioaccumulate in the food chain.

Key value for chemical safety assessment

BCF (aquatic species):
3.162 L/kg ww

Additional information

The estimated bioconcentration factor (BCF) for 2,2,2-trichloroethane-1,1-diol is 3.162 L/kg wet-wt which does not exceed the bioconcentration threshold of 2000. Thus it is concluded that 2,2,2-trichloroethane-1,1-diol is not expected to bioaccumulate in the food chain.