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EC number: 222-619-7
CAS number: 3558-60-9
BCFBAF Program (v3.01) Results:
SMILES : O(CCc(cccc1)c1)C
CHEM : Benzene, (2-methoxyethyl)-
MOL FOR: C9 H12 O1
MOL WT : 136.20
BCFBAF v3.01 --------------------------------
Log BCF (regression-based
estimate): 1.16 (BCF = 14.5 L/kg wet-wt)
Biotransformation Half-Life (days)
: 0.158 (normalized to 10 g fish)
Log BAF (Arnot-Gobas upper
trophic): 1.16 (BAF = 14.5 L/kg wet-wt)
Log Kow (experimental): not available
Log Kow used by BCF estimates: 2.27
Equation Used to Make BCF estimate:
Log BCF = 0.6598 log Kow - 0.333 +
No Applicable Correction Factors
Estimated Log BCF = 1.162 (BCF = 14.52
Based on the predicted data by BCFBAF
Program (v3.01) model the Bioaccumulation factor (BCF) was predicted to
be 14.52 L/kg wet-wt at 25°C. Based on the BCF concentration it is
concluded that the test chemical is non bioaccumulative in nature as it
does not exceed the BCF criteria of 2000.
Based on the predicted data by BCFBAF
Program (v3.01) model of EPI suite the Bioaccumulation factor (BCF) was
predicted to be 14.52 L/kg wet-wt at 25°C.
Following different studies includes
predicted study for the target chemical and experimental study for
read-across analogues which is extracted by using mechanistic approach
and functionally and structurally similar to the target chemical to
observe the bioaccumulation of test chemical in water. The studies are
as mentioned below:
The second study 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 substance was estimated
to be 14.5 dimensionless . The predicted BCF result based on the 5 OECD
principles. Thus based on the result it is concluded that the test
substance is non-bioaccumulative in nature, because the bioconcentration
factor in fish is less than 2000.
In next study, from Scifinder database
the Bioconcentration factor (BCF) for target chemical was predicted to
be 24.4 dimensionless at pH 1-10 and temperature 25 °C. Based on the BCF
concentration it is concluded that the test chemical is non
bioaccumulative in nature as it does not exceed the BCF criteria of 2000.
Another study using Bio-concentration
Factor (v188.8.131.52374) moduler , bioconcentration of the chemical was
estimated to be 295 dimensionless
at pH ranges from 1-14. This value
indicates that the test chemical is non-bioaccumulative in aquatic
organisms as this value does not exceed 2000 criteria.
In next study of read across chemical,
bioaccumulation test was conducted for 8 weeks for determination the
bioconcentration factor (BCF) of chemical on test organism Cyprinus
carpio at different nominal concentrations of 0.2 mg/L (w/v) and 0.02
mg/L (w/v) and Range finding study was carried out on Rice fish (Oryzias
latipes) at 48h which was determined to be 18 ppm(w/v).Thus The BCF
value was observed to be 171-429 L/Kg at concentration of 0.2 mg/L and
187-345 L/Kg at 0.02 mg/L on test organism Cyprinus carpio during 8
weeks period. These BCF values indicate that the test substance is not
bioaccumulative in aquatic organisms as these values are far less than
The last study is from authoritative
database HSDB the BCF value of test chemical which was estimated to be 6
dimesionless by using an estimated log Kow of 1.36 and a regression
derived equation. On the basis of this estimated BCF value it can be
concluded that test chemical in non bioaccumulative in nature and the
potential for bioconcentration in aquatic organisms is low.
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.Reproduction or further distribution of this information may be subject to copyright protection. Use of the information without obtaining the permission from the owner(s) of the respective information might violate the rights of the owner.
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