4-Nonylphenol, branched, ethoxylated

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:

Estimated data generated using the EPI Suite

Qualifier:

according to guideline

Guideline:

other: Modelling database

Principles of method if other than guideline:

Prediction done using BCFBAF Program (v3.00) model

GLP compliance:

no

Specific details on test material used for the study:

- EC name:4-Nonylphenol, branched, ethoxylated
- Name of test material (as cited in study report): Nonylphenol ethoxylates
- Molecular formula : C17H28O2
- Molecular weight : 264.409 g/mol
- Substance type:Organic
- Physical state: Liquid

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:

7.86 L/kg

Basis:

whole body w.w.

Calculation basis:

other: regression-based estimate

Remarks on result:

other: Non bioaccumulative

BCFBAF Program (v3.01) Results:

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

SMILES : C(C)CC(C)CC(C)Cc1ccc(OCCOCCOCCOCCOCCO)cc1

CHEM : Poly(oxy-1,2-ethanediyl), -(4-nonylphenyl)- -hydroxy-, branched

MOL FOR: C25 H44 O6

MOL WT : 440.63

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

Summary Results:

Log BCF (regression-based estimate): 0.90 (BCF = 7.86 L/kg wet-wt)

Biotransformation Half-Life (days) : 0.43 (normalized to 10 g fish)

Log BAF (Arnot-Gobas upper trophic): 2.23 (BAF = 169 L/kg wet-wt)

Log Kow (experimental): not available from database

Log Kow used by BCF estimates: 4.33

Equation Used to Make BCF estimate:

Log BCF = 0.6598 log Kow - 0.333 + Correction

Correction(s): Value

Aromatic ring-CH-OH -0.256

Alkyl chains (8+ -CH2- groups) -1.374

Estimated Log BCF = 0.895 (BCF = 7.855 L/kg wet-wt)

Validity criteria fulfilled:

not specified

Conclusions:

The bioconcentration factor (BCF) was estimated by BCFBAF (v3.01) model using regression-based estimate for test substance 4-Nonylphenol, branched, ethoxylated. The BCF value was reported as 7.86 L/kg wet-wt.

Executive summary:

The bioconcentration factor (BCF) was estimated by BCFBAF (v3.01) model using regression-based estimate for test substance 4-Nonylphenol, branched, ethoxylated. The BCF value was reported as 7.86 L/kg wet-wt which does not exceed the bioconcentration threshold of 2000. Thus it is concluded that 4-Nonylphenol, branched, ethoxylated is not expected to bio accumulate in the food chain.

Description of key information

The bioconcentration factor (BCF) was estimated by BCFBAF (v3.01) model using regression-based estimate for test substance 4-Nonylphenol, branched, ethoxylated. The BCF value was reported as 7.86 L/kg wet-wt which does not exceed the bioconcentration threshold of 2000. Thus it is concluded that 4-Nonylphenol, branched, ethoxylated is not expected to bio accumulate in the food chain.

Key value for chemical safety assessment

BCF (aquatic species):

7.86 L/kg ww

Additional information

Four studies including Experimental and Predicted data for Bioaccumulation endpoint of the target chemical 4-Nonylphenol, branched, ethoxylated (Cas no. 127087-87-0) and its relevant read across chemical which are structurally similar to target were reviewed to summarize as follows:  

 

First study from prediction report by BCFBAF (v3.00) model which indicate the estimated bio concentration factor (BCF) for 4-Nonylphenol, branched, ethoxylated (Cas no. 127087-87-0) is 7.86 L/kg wet-wt which does not exceed the bioconcentration threshold of 2000.Thus it is concluded that 4-Nonylphenol, branched, ethoxylated is not expected to bio accumulate in the food chain.

Above predicted result for target chemical is supported by experimental evidence from reliable data source Japan chemicals collaborative knowledge database (J-check) of read across 4-Nonylphenol, ethoxylated (Cas no. 26027-38-3) suggest the Bioconcentration value i.e BCF range of 7.6-12.4 and 9.09-16 was calculated in fish for 4-Nonylphenol, ethoxylated using Cyprinus carpio which were exposed over to 0.1 and 1 mg/L over a 6-week period. This BCF range suggests bioconcentration in aquatic organisms is low.

Data from same source i.e Japan chemicals collaborative knowledge database (J-check) for another read across chemical Nonylphenol, ethoxylated (Cas no. 9016-45-9) indicate the Bioconcentration value i.e BCF range of <0.2 to <1.4 was calculated in fish for Nonylphenol, ethoxylated using Cyprinus carpio which were exposed over to 0.2 and 2 mg/L over a 6-week period.This BCF range suggests bioconcentration in aquatic organisms is low.

Last evidence for one another read across 2-(2-(2-butoxyethoxy)ethoxy)ethanol (Cas no. 143-22-6) gives close result to above all BCF data i.e BCF of 3 was calculated in fish for triethylene glycol monobutyl ether, using an estimated log Kow of 0.02 and a regression derived equation. This BCF suggests the potential for bioconcentration in aquatic organisms is low.

All predicted and experimental values for bioaccumulation is in the range of <0.2 -12.4 (L/kg or dimensionless) concluded that the target chemical 4-Nonylphenol, branched, ethoxylated (Cas no. 127087-87-0) is non bioaccumulative in aquatic environment.