Registration Dossier

Environmental fate & pathways

Biodegradation in water: screening tests

Administrative data

Endpoint:
biodegradation in water: ready biodegradability
Type of information:
(Q)SAR
Adequacy of study:
weight of evidence
Study period:
2018
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:
QMRF for this informatic tool is not available. However, this informatic tool is widely used and reported in ECHA Practical Guide - How to use and report (Q)SARs, Version 3.1 (July 2016).

1. SOFTWARE : EPI BIOWIN

2. MODEL (incl. version number) : EPI BIOWIN v4.10

3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL : Cholic acid; C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C

The EPI (Estimation Programs Interface) Suite™ is a Windows®-based suite of physical/chemical property and environmental fate estimation programs developed by EPA’s and Syracuse Research Corp. (SRC).

EPI Suite™ uses a single input to run the following estimation programs: KOWWIN™, AOPWIN™, HENRYWIN™, MPBPWIN™, BIOWIN™, BioHCwin, KOCWIN™, WSKOWWIN™, WATERNT™, BCFBAF™, HYDROWIN™, KOAWIN and AEROWIN™, and the fate models WVOLWIN™, STPWIN™ and LEV3EPI™. ECOSAR™, which estimates ecotoxicity, is also included in EPI Suite™.

Data source

Reference
Reference Type:
other: QSAR
Title:
EPI BIOWIN v4.10
Author:
US EPA
Year:
2018
Bibliographic source:
United States Environmental Protection Agency, Washington, DC, USA.

Materials and methods

Principles of method if other than guideline:
- Software tool(s) used including version: EPI BIOWIN v4.10
- Model description: see field 'Justification for type of information'
- Justification of QSAR prediction: see field 'Justification for type of information'

The EPI (Estimation Programs Interface) Suite™ is a Windows®-based suite of physical/chemical property and environmental fate estimation programs developed by EPA’s and Syracuse Research Corp. (SRC).

EPI Suite™ uses a single input to run the following estimation programs: KOWWIN™, AOPWIN™, HENRYWIN™, MPBPWIN™, BIOWIN™, BioHCwin, KOCWIN™, WSKOWWIN™, WATERNT™, BCFBAF™, HYDROWIN™, KOAWIN and AEROWIN™, and the fate models WVOLWIN™, STPWIN™ and LEV3EPI™. ECOSAR™, which estimates ecotoxicity, is also included in EPI Suite™.

Test material

Reference
Name:
Unnamed
Type:
Constituent
Test material form:
solid: crystalline
Specific details on test material used for the study:
Substances to be evaluated are deoxycholic acid and its salt sodium deoxycholate. As salts cannot be evaluated by QSAR tools and considering that the Sodium ion is not expected to produce effects, predictions for both substances were made on the non-disassociated form, i.e. deoxycholic acid.
CC(CCC(=O)O)C1CCC2C3CCC4CC(O)CCC4(C)C3CC(O)C12C (deoxycholic acid).

Results and discussion

% Degradation
Remarks on result:
not measured/tested

Any other information on results incl. tables

EPI BIOWIN

 

Biowin1 (linear model) Probability of Rapid Biodegradation

0.5829

Biowin2 (non-linear model) Probability of Rapid Biodegradation

0.0417

Biowin3 Expert Survey Ultimate Biodegradation

2.5919

Biowin3 Expert Survey Ultimate Timeframe

weeks-months

Biowin4 Expert Survey Primary Biodegradation

3.6189

Biowin4 Exp. Survey Primary Timeframe

days-weeks

Biowin5 (MITI linear model) Biodegradation Probability

0.4772

Biowin6 (MITI non-linear model) Biodegradation Probability

0.0446

Biowin7 (Anaerobic Linear) Biodegradation Probability

-0.4166

Petroleum Hydrocarbon Biodegradation Half-Life (days)

 

Biowin1 and Biowin2: ≥0.5: “Rapid” <0.5: “Slow”

Biowin3 and Biowin4: 5 ~ hours; 4 ~ days; 3 ~ weeks; 2 ~ months; 1 ~ years.

Biowin5 and Biowin6: ≥0.5: “Readily”, <0.5: “Not readily”.

Biowin7: ≥0.5: “Fast”, <0.5: “Slow”

Applicant's summary and conclusion

Validity criteria fulfilled:
not applicable
Interpretation of results:
not readily biodegradable
Conclusions:
Deoxycholic acid is not readily biodegradable.