2-Naphthalenol, 1-[[2-methyl-4-[(2-methylphenyl)azo]phenyl]azo]-, ar-styrenated

Bioaccumulation: aquatic / sediment

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:

Estimated data generated using the EPI Suite program developed by the 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 (as cited in study report): 2-Naphthalenol, 1-[[2-methyl-4-[(2-methylphenyl) azo] phenyl] azo]-, ar-styrenated- Substance type: Organic- smiles : Cc1ccccc1N=Nc2ccc(c(C)c2)N=Nc3c4ccc(C(C)c5ccccc5)cc4cc(C(C)c6ccccc6)c3O- Molecular wt. : 588.76

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:

10 L/kg

Basis:

whole body w.w.

Calculation basis:

other: estimated

Remarks on result:

other: Non-bioaccumulative

BCFBAF Program (v3.01) Results:

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

SMILES : Cc1ccccc1N=Nc2ccc(c(C)c2)N=Nc3c4ccc(C(C)c5ccccc5)cc4cc(C(C)c6ccccc6)c

3O

CHEM : 2-Naphthalenol, 1-[[2-methyl-4-[(2-methylphenyl)azo]phenyl]azo]-, arstyrenated

MOL FOR: C40 H36 N4 O1

MOL WT : 588.76

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

Summary Results:

Log BCF (regression-based estimate): 1.00 (BCF = 10 L/kg wet-wt)

Biotransformation Half-Life (days) : 348 (normalized to 10 g fish)

Log BAF (Arnot-Gobas upper trophic): 2.15 (BAF = 140 L/kg wet-wt)

Log Kow (experimental): not available from database

Log Kow used by BCF estimates: 13.03

Equation Used to Make BCF estimate:

Log BCF = 1.00 { Aromatic Azo Specification }

Correction(s): Value

Aromatic Azo compound 0.000

Estimated Log BCF = 1.000 (BCF = 10 L/kg wet-wt)

Validity criteria fulfilled:

not specified

Conclusions:

The estimated bioconcentration factor (BCF) of 2-Naphthalenol, 1-[[2-methyl-4-[(2-methylphenyl)azo]phenyl]azo]-, ar-styrenated was estimated to be 10 L/kg whole body w.w (at 25 deg C) which does not exceed the bio concentration threshold of 2000, indicating that the chemical is not expected to bioaccumulate in the food chain.

Executive summary:

BCFBAF model (v3.01) of Estimation Programs Interface (EPI Suite, 2017) was used to predict the bioconcentration factor (BCF) of test chemical 2-Naphthalenol, 1-[[2-methyl- 4-[(2-methylphenyl)azo]phenyl]azo]-, ar-styrenated (CAS No. 85203 -90 -3). The bioconcentration factor (BCF) of 2-Naphthalenol, 1-[[2-methyl-4-[(2-methylphenyl) azo]phenyl] azo]-, ar-styrenated was estimated to be 10 L/kg whole body w.w (at 25 deg C) which does not exceed the bioconcentration threshold of 2000, indicating that the chemical 2-Naphthalenol, 1-[[2-methyl-4-[(2-methylphenyl)azo]phenyl]azo]-, ar-styrenated is not expected to bioaccumulate in the food chain.

Description of key information

BCFBAF model (v3.01) of Estimation Programs Interface (EPI Suite, 2017) was used to predict the bioconcentration factor (BCF) of test chemical 2-Naphthalenol, 1-[[2-methyl- 4-[(2-methylphenyl)azo]phenyl]azo]-, ar-styrenated (CAS No. 85203 -90 -3). The bioconcentration factor (BCF) of 2-Naphthalenol, 1-[[2-methyl-4-[(2-methylphenyl) azo]phenyl] azo]-, ar-styrenated was estimated to be 10 L/kg whole body w.w (at 25 deg C) which does not exceed the bioconcentration threshold of 2000, indicating that the chemical 2-Naphthalenol, 1-[[2-methyl-4-[(2-methylphenyl)azo]phenyl]azo]-, ar-styrenated is not expected to bioaccumulate in the food chain.

Key value for chemical safety assessment

BCF (aquatic species):

10 L/kg ww

Additional information

One predicted data study for the target compound 2-Naphthalenol, 1-[[2-methyl- 4-[(2-methylphenyl)azo]phenyl]azo]-, ar-styrenated (CAS No. 85203 -90 -3)and supporting weight of evidence study for its read across chemical were reviewed for the bioaccumulation end point which are summarized as below:

In first weight of evidence study the BCFBAF model (v3.01) of Estimation Programs Interface (EPI Suite, 2017) was used to predict the bioconcentration factor (BCF) of test chemical 2-Naphthalenol, 1-[[2-methyl- 4-[(2-methylphenyl)azo]phenyl]azo]-, ar-styrenated (CAS No. 85203 -90 -3). The bioconcentration factor (BCF) of 2-Naphthalenol, 1-[[2-methyl-4-[(2-methylphenyl) azo]phenyl] azo]-, ar-styrenated was estimated to be 10 L/kg whole body w.w (at 25 deg C) which does not exceed the bioconcentration threshold of 2000, indicating that the chemical 2-Naphthalenol, 1-[[2-methyl-4-[(2-methylphenyl)azo]phenyl]azo]-, ar-styrenated is not expected to bioaccumulate in the food chain.

Next weight of evidence study was done from authoritative databasein this study the Bioaccumulation experiment was conducted for 6 weeks for determination the bioconcentration factor (BCF) of test chemical chemical on test organism Cyprinus carpio. 

The vehicle used in the study was HCO-40, Crystal sugar, Concentration of vehicle: 1st Concentration area: HCO-40 14 ppm(w/v), Crystal sugar 14 ppm(w/v), 2nd Concentration area: HCO-40 1.4 ppm(w/v) Crystal sugar 1.4 ppm(w/v)

Recovery ratio: Test water : 1st concentration area : 96.1 %, 2nd concentration area : 95.4 %, Fish : 79.8 %, - Limit of detection : Fish : 0.25 ppm

The Nominal concentrations used in the study was 1st Concentration area: 0.7 mg/L(w/v), 2nd Concentration area: 0.07 mg/L (w/v)and Range finding study was carried out on Rice fish (Oryzias latipes) TLm(48h>= 420 ppm(w/v).

 Thus according to static Fish test the bioconcentration factor (BCF) for test  chemical was determined according static fish test. The BCF value was observed to be 0.9 – 1.8 L/kg at dose concentration 0.7 mg/L and 8.5 - 15 L/kg at dose concentration 0.07 mg/L on test organism Cyprinus carpio during 6 weeks period. Therefore it is concluded that test chemical is non bioaccumulative.

Last weight of evidence study was done from another authoritative database for test chemical chemical in this study the ionic character of test chemical chemical suggests the potential for bioconcentration in aquatic organisms is expected to be low.

On the basis of above results for target chemical 2-Naphthalenol, 1-[[2-methyl- 4-[(2-methylphenyl)azo]phenyl]azo]-, ar-styrenated (CAS No. 85203 -90 -3) (from EPI suite 2017) and for its read across chemicals it can be concluded that the BCF value of test substance 2-Naphthalenol, 1-[[2-methyl- 4-[(2-methylphenyl)azo]phenyl]azo]-, ar-styrenated (CAS No. 85203 -90 -3)ranges from 0.0 to 15 L/Kg dimensionless which does not exceed the bioconcentration threshold of 2000, indicating that the chemical 2-Naphthalenol, 1-[[2-methyl- 4-[(2-methylphenyl)azo]phenyl]azo]-, ar-styrenatedis expected to be nonbioaccumulative in the food chain.