7-(diethylamino)-4-methyl-2-benzopyrone

Bioaccumulation: aquatic / sediment

Link to relevant study record(s)

Reference

Endpoint:

bioaccumulation in aquatic species: fish

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 EPI Suite

Qualifier:

according to guideline

Guideline:

other: Modelling database

Principles of method if other than guideline:

KOCWIN Program (v2.00)

GLP compliance:

no

Radiolabelling:

not specified

Vehicle:

not specified

Test organisms (species):

other: Fish

Route of exposure:

aqueous

Test type:

not specified

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:

61.87 L/kg

Basis:

whole body w.w.

Calculation basis:

other: No data

BCFBAF Program (v3.01) Results:

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

SMILES : CCN(CC)c1cc2OC(=O)C=C(C)c2cc1

CHEM : 2H-1 -Benzopyran-2-one, 7-(diethylamino)-4-methyl-

MOL FOR: C14 H17 N1 O2

MOL WT : 231.30

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

Summary Results:

Log BCF (regression-based estimate): 1.79 (BCF = 61.9 L/kg wet-wt)

Biotransformation Half-Life (days) : 0.117 (normalized to 10 g fish)

Log BAF (Arnot-Gobas upper trophic): 1.58 (BAF = 38.1 L/kg wet-wt)

Log Kow (experimental): not available from database

Log Kow used by BCF estimates: 3.22

Equation Used to Make BCF estimate:

Log BCF = 0.6598 log Kow - 0.333 + Correction

Correction(s): Value

No Applicable Correction Factors

Estimated Log BCF = 1.791 (BCF = 61.87 L/kg wet-wt)

Validity criteria fulfilled:

no

Conclusions:

Based on the predicted data by BCFBAF Program (v3.01) model of EPI suite the Bioaccumulation factor (BCF) was predicted to be 61.87 L/kg wet-wt at 25°C.

Executive summary:

Based on the predicted data by BCFBAF Program (v3.01) model the Bioaccumulation factor (BCF) was predicted to be 61.87 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.

Description of key information

Bioaccumulation :

Based on the predicted data by BCFBAF Program (v3.01) model the Bioaccumulation factor (BCF) was predicted to be 61.87 L/kg wet-wt at 25 deg.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.

Key value for chemical safety assessment

BCF (aquatic species):

61.87 L/kg ww

Additional information

Bioaccumulation :

Following different studies includes estimated study for the target chemical to observe the biodegradation rate of test chemical in water.

Based on the predicted data by BCFBAF Program (v3.01) model the Bioaccumulation factor (BCF) was predicted to be 61.87 L/kg wet-wt at 25 deg.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 from PBT profiler the Bioaccumulation factor (BCF) was predicted to be 62 L/kg wet-wt at 25°C. On the basis of BCF concentration it is concluded that the test chemical is non bioaccumulative in nature as it does not exceed the BCF criteria of 2000.

From Scifinder database the Bioconcentration factor (BCF) for target chemical was predicted to be 1.53 at pH 1,8.14 at pH 2,58.7 at pH3, 185 at pH 4, 237 at pH 5, 244 at pH 6-10 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.

From Chemspider - ACD/PhysChem Suite prediction model the Bioconcentration factor (BCF) for target chemical was predicted to be 201.24 at pH 5.5 and  203.25 at 7.4 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.

On the basis of BCF concentration it is concluded that the test chemical is non bioaccumulative in nature as it does not exceed the BCF criteria of 2000.