Resin acids and Rosin acids, maleated, esters with pentaerythritol

Bioaccumulation: aquatic / sediment

Administrative data

Endpoint:

bioaccumulation in aquatic species: fish

Type of information:

(Q)SAR

Adequacy of study:

weight of evidence

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

results derived from a valid (Q)SAR model and falling into its applicability domain, with adequate and reliable documentation / justification

Justification for type of information:

A discussion and report on the read across strategy is given as an attachment in Section 13.

Data source

Reference

Reference Type:

other: Computer QSAR model

Title:

Episuite v4.11

Author:

US EPA

Year:

2021

Bibliographic source:

EPA

Materials and methods

Principles of method if other than guideline:

Formerly called BCFWIN, the BCFBAF program estimates fish bioconcentration factor (BCF) and its logarithm using two different methods. The first is the traditional regression based on log KOW plus any applicable correction factors. The second is the Arnot-Gobas method, which calculates BCF from mechanistic first principles. BCFBAF also incorporates prediction of apparent metabolism half-life in fish, and estimates BCF and BAF for three trophic levels. The program is based on methodologies developed by Arnot-Gobas et al. (2003, 2006, 2008). A 5% lipid normalisation has been used for the Arnot-Gobas method BCF values, as recommended in OECD TG 305.

GLP compliance:

no

Remarks:

QSAR

Test material

Test material information

Constituent 1

Reference substance name:

Resin acids and Rosin acids, maleated, esters with pentaerythritol

EC Number:

305-516-2

EC Name:

Resin acids and Rosin acids, maleated, esters with pentaerythritol

Cas Number:

94581-17-6

Molecular formula:

UVCB substance

IUPAC Name:

Resin acids and Rosin acids, maleated, esters with pentaerythritol

Test material form:

other: solid

Details on test material:

- Name of test material (as cited in study report): Resin acids and Rosin acids, maleated, esters with pentaerythritol
- Physical state: Amber coloured solid
- Analytical purity: 100% (UVCB)
- Lot/batch No.: 8
- Expiration date of the lot/batch: 31 December 2012
- Stability under test conditions: Decomposes
- Storage condition of test material: room temperature in the dark

Results and discussion

Bioaccumulation factor

Bioaccumulation factor 1

Key result

Type:

BCF

Value:

>= 3.2 - <= 12 882.5 L/kg

Basis:

whole body w.w.

Calculation basis:

other: Result from QSAR prediction. Range based on the measured constituents in the streams.

Remarks on result:

other: Rosin, dimer

Bioaccumulation factor 2

Key result

Type:

BCF

Value:

>= 42.59 - <= 3 306.11 L/kg

Basis:

whole body w.w.

Calculation basis:

other: BCF Arno-Gobas method (upper trophic) (5% lipid normalisation)

Remarks on result:

other: Result from QSAR prediction. Range based on the measured constituents in the streams.

Details on results:

Of the XXX constituents, XX have a BCF value of greater than 2000 L/kg ww. Details of the constituents and how their BCF estimates relate to their bioaccumulation assessment are found in the PBT report attached to Section 13 (see cross-reference).

Applicant's summary and conclusion

Conclusions:

The predicted BCF values of the constituents of these streams range from 3.2 to 12882.5 L/kg ww. Of the 48 constituents, 10 have a BCF value of greater than 2000 L/kg ww. Details of the constituents and how their BCF predictions relate to their bioaccumulation assessment are found in the PBT report attached to Section 13 (see cross-reference).

Executive summary:

The bioconcentration factor (BCF) values of the measured constituents (at equal or above 0.1% w/w) of this category has been predicted using the EPISUITE v4.11 BCFBAF (2017) model, which uses methodology descrived by Arnot-Gobas et al. (2003, 2006, 2008). The predicted BCF values of the constituents of these streams range from 3.2  to 12882.5 L/kg ww. Of the 48 constituents, 10 have a BCF value of greater than 2000 L/kg ww