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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.

The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.

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:
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
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.