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Diss Factsheets

Environmental fate & pathways

Biodegradation in water: screening tests

Administrative data

Endpoint:
biodegradation in water: ready biodegradability
Type of information:
(Q)SAR
Adequacy of study:
key study
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

Data source

Referenceopen allclose all

Reference Type:
other: EPIWIN calculation
Title:
Unnamed
Year:
2018
Report date:
2018
Reference Type:
other: Estimation software
Title:
Estimation Programs Interface Suite for Microsoft Windows, v4.11
Author:
US EPA
Year:
2012
Bibliographic source:
United States Environmental Protection Agency, Washington, DC, USA

Materials and methods

Principles of method if other than guideline:
Prediction of ready biodegradability based on EPI Suite v4.11 BIOWIN v4.10.
GLP compliance:
no

Test material

Constituent 1
Chemical structure
Reference substance name:
Pyrimidine-2,4,6-triyltriamine
EC Number:
213-720-7
EC Name:
Pyrimidine-2,4,6-triyltriamine
Cas Number:
1004-38-2
Molecular formula:
C4H7N5
IUPAC Name:
2,4,6-Triaminopyrimidine
Test material form:
solid

Results and discussion

% Degradationopen allclose all
Remarks on result:
other: Ready biodegradability prediction: Substance is not readily biodegradable.
Remarks on result:
other: Biowin1: Does Not Biodegrade Fast; Biowin2: Does Not Biodegrade Fast; Biowin3: Weeks-Months; Biowin4: Days-weeks; Biowin5: Does Not Biodegrade Fast; BIOWIN6: Does Not Biodegrade Fast

Any other information on results incl. tables

Biowin1 (Linear Model Prediction) : Does Not Biodegrade Fast

Biowin2 (Non-Linear Model Prediction): Does Not Biodegrade Fast

Biowin3 (Ultimate Biodegradation Timeframe): Weeks-Months

Biowin4 (Primary Biodegradation Timeframe): Days-Weeks

Biowin5 (MITI Linear Model Prediction) : Does Not Biodegrade Fast

Biowin6 (MITI Non-Linear Model Prediction): Does Not Biodegrade Fast

Biowin7 (Anaerobic Model Prediction): Does Not Biodegrade Fast

Ready Biodegradability Prediction: NO

 

TYPE

 NUM

 Biowin1 FRAGMENT DESCRIPTION

 COEFF

 VALUE

Frag

 3

 Aromatic amine [-NH2 or -NH-]

 -0.2338

 -0.7013

MolWt

 *

 Molecular Weight Parameter

 

 -0.0596

Const

 *

 Equation Constant

 

 0.7475

RESULT

 Biowin1 (Linear Biodeg Probability)

 

 -0.0133

 

 

TYPE

 NUM

 Biowin2 FRAGMENT DESCRIPTION

 COEFF

 VALUE

Frag

 3

 Aromatic amine [-NH2 or -NH-]

 -1.9070

 -5.7210

MolWt

 *

 Molecular Weight Parameter

 

 -1.7769

RESULT

 Biowin2 (Non-Linear Biodeg Probability)

 

 0.0111

 

 

A Probability Greater Than or Equal to 0.5 indicates --> Biodegrades Fast

A Probability Less Than 0.5 indicates --> Does NOT Biodegrade Fast

 

TYPE

 NUM

 Biowin3 FRAGMENT DESCRIPTION

 COEFF

 VALUE

Frag

 3

 Aromatic amine [-NH2 or -NH-]

 -0.1349

 -0.4048

MolWt

 *

 Molecular Weight Parameter

 

 -0.2765

Const

 *

 Equation Constant

 

 3.1992

RESULT

 Biowin3 (Survey Model - Ultimate Biodeg)

 

 2.51

 

 

 

TYPE

 NUM

 Biowin4 FRAGMENT DESCRIPTION

 COEFF

 VALUE

Frag

 3

 Aromatic amine [-NH2 or -NH-]

 -0.1084

 -0.3251

MolWt

 *

 Molecular Weight Parameter

 

 -0.1805

Const

 *

 Equation Constant

 

 3.8477

RESULT

 Biowin4 (Survey Model - Primary Biodeg)

 

 3.3421

 

 

Result Classification: 5.00 -> hours 4.00 -> days 3.00 -> weeks

(Primary & Ultimate) 2.00 -> months 1.00 -> longer

 

TYPE

 NUM

 Biowin5 FRAGMENT DESCRIPTION

 COEFF

 VALUE

Frag

 3

 Aromatic amine [-NH2 or -NH-]

 -0.1577

 -0.4731

Frag

 1

 Aromatic-H

 0.0082

 0.0082

MolWt

 *

 Molecular Weight Parameter

 

 -0.3723

Const

 *

 Equation Constant

 

 0.7121

RESULT

 Biowin5 (MITI Linear Biodeg Probability)

 

 -0.1250

 

 

TYPE

 NUM

 Biowin6 FRAGMENT DESCRIPTION

 COEFF

 VALUE

Frag

 3

 Aromatic amine [-NH2 or -NH-]

 -1.2264

 -3.6791

Frag

 1

 Aromatic-H

 0.1201

 0.1201

MolWt

 *

 Molecular Weight Parameter

 

 -3.6125

RESULT

Biowin6 (MITI Non-Linear Biodeg Probability)

 

 0.0095

 

 

A Probability Greater Than or Equal to 0.5 indicates --> Readily Degradable

A Probability Less Than 0.5 indicates --> NOT Readily Degradable

 

TYPE

 NUM

 Biowin7 FRAGMENT DESCRIPTION

 COEFF

 VALUE

Frag

 3

 Aromatic amine [-NH2 or -NH-]

 -0.2778

 -0.8335

Frag

 1

 Aromatic-H

 -0.0954

 -0.0954

Const

 *

 Equation Constant

 

 0.8361

RESULT

 Biowin7 (Anaerobic Linear Biodeg Prob)

 

 -0.0928

 

 

A Probability Greater Than or Equal to 0.5 indicates --> Biodegrades Fast

A Probability Less Than 0.5 indicates --> Does NOT Biodegrade Fast

Ready Biodegradability Prediction: (YES or NO)

 

Criteria for the YES or NO prediction: If the Biowin3 (ultimate survey model) result is "weeks" or faster (i.e. "days", "days to weeks", or "weeks" AND the Biowin5 (MITI linear model) probability is >= 0.5, then the prediction is YES (readily biodegradable). If this condition is not satisfied, the prediction is NO (not readily biodegradable). This method is based on application of Bayesian analysis to ready biodegradation data (see Help). Biowin5 and 6 also predict ready biodegradability, but for degradation in the OECD301C test only; using data from the Chemicals Evaluation and Research Institute Japan (CERIJ) database.

Applicant's summary and conclusion

Validity criteria fulfilled:
yes
Interpretation of results:
not readily biodegradable