4,4'-methylenedi-2,6-xylenol

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:

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 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

Remarks:

estimated

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

Temp.:

25 °C

Type:

BCF

Value:

1 340 L/kg

Basis:

whole body w.w.

Calculation basis:

other: estimated

Remarks on result:

other: Non-bioaccumulative

BCFBAF Program (v3.01) Results:

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

SMILES : Oc(c(cc1Cc(cc(c2O)C)cc2C)C)c(c1)C

CHEM : PHENOL, 4,4'-METHYLENEBIS[2,6-DIMETHYLMOL

FOR: C17 H20 O2

MOL WT : 256.35

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

Summary Results:

Log BCF (regression-based estimate): 3.13 (BCF = 1.34e+003 L/kg wet-wt)

Biotransformation Half-Life (days) : 0.0771 (normalized to 10 g fish)

Log BAF (Arnot-Gobas upper trophic): 1.51 (BAF = 32.6 L/kg wet-wt)

Log Kow (experimental): not available from database

Log Kow used by BCF estimates: 5.24

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 = 3.127 (BCF = 1340 L/kg wet-wt)

Validity criteria fulfilled:

not specified

Conclusions:

Using BCFBAF Program (v3.00) model of EPI suite (2018) the estimated bio concentration factor (BCF) for is 1340 L/kg wet-wt at 25 deg. c which does not exceed the bioconcentration threshold of 2000. Therefore it is concluded that test chemical is nonbioaccumulative in food chain.

Executive summary:

Using BCFBAF Program (v3.00) model of EPI suite (2018) the estimated bio concentration factor (BCF) for  is 1340 L/kg wet-wt at 25 deg. c which does not exceed the bioconcentration threshold of 2000. Therefore it is concluded that test chemical is nonbioaccumulative in food chain.

Description of key information

Using BCFBAF Program (v3.00) model of EPI suite (2018) the estimated bio concentration factor (BCF) for  is 1340 L/kg wet-wt at 25 deg. c which does not exceed the bioconcentration threshold of 2000. Therefore it is concluded that test chemical is nonbioaccumulative in food chain.

Key value for chemical safety assessment

BCF (aquatic species):

1 340 L/kg ww

Additional information

Different studies have been reviewed for Bioaccumulation in aquatic organisms endpoint for test chemical and its read across chemicals and their results are summarized below.

The first study was done by using BCFBAF Program (v3.00) model of EPI suite (2018) in this study the bio concentration factor (BCF) for  estimated was 1340 L/kg wet-wt at 25 deg. c which does not exceed the bioconcentration threshold of 2000. Therefore it is concluded that test chemical is non-bioaccumulative in food chain.

In another study using Bio-concentration Factor (v12.1.0.50374) module the Bio-concentration Factor at range pH 0-6, 7, 8, 9 and 10  of the test chemical was estimated to be 1765 , 1764, 1754, 1662, and 1039 dimensionless respectively and in range 1-113 dimensionless at pH range 11-14.These values indicate that the chemical is non-bioaccumulative in aquatic organisms as this value does not exceed 2000 criteria.

Third study was experimental study reviewed from authoritative database (J check) in this study the Bioaccumulation test was conducted for 6 weeks for determination the bioconcentration factor (BCF) of chemical on test organism Cyprinus carpio. Nominal concentrations 1st Concentration area: 0.2 ppm(w/v), 2nd Concentration area: 0.02 ppm(w/v) and range-finding / preliminary study wa Test concentrations : TLm(48h) 14.3 ppm(w/v), Rice fish (Oryzias latipes) and test system used was vessels for volatile substances. The vehicle used in this study was Tween 80, and its concentration was 1st Concentration area: 2 ppm(w/v), 2nd Concentration area: 0.2 ppm(w/v). Recovery ratio :Test water : 1st concentration area : 91.8 %, 2nd concentration area : 84.5 %, Fish : 94.0 %, - Limit of detection : Test water 1st concentration area : 17 ppb, 2nd concentration area : 1.9 ppb, Fish : 0.06 ppm. Thus according to static Fish Test The bioconcentration factor (BCF) for chemical was determined according static fish test. The BCF value was observed to be in range 6.5-10 L/kg at dose concentration 0.2 mg/L and 2.7-8.1 L/kg at dose concentration 0.02 mg/L on test organism Cyprinus carpio during 6 weeks period. Therefore it is concluded that this test chemical is non-bioaccumulative. These BCF values indicate that the test substance is not bioaccumulative in fish and food chain as these values are far less than 2000 criteria.

Last study was reviewed from authoritative database (HSDB) in this study the BCF value of test chemical estimated was 37 dimensionless by using log Kow of 2.36 and regression derived equation and it is far less than 2000 criteria. On the basis of calculated BCF value it is concluded that chemical is non bioaccumulative.

By considering results of all the studies mentioned above it is concluded that test chemical is not bioaccumulative in fish and food chain all BCF values are far less than 2000 criteria of CLP regulation