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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
Remarks:
Migrated phrase: estimated by calculation
Adequacy of study:
key study
Reliability:
1 (reliable without restriction)
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: EPISuite calculation
Title:
Unnamed
Year:
2017
Report date:
2017
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 v4.10 BIOWIN v4.10.
GLP compliance:
no

Test material

Constituent 1
Chemical structure
Reference substance name:
1-[[(2-hydroxyphenyl)imino]methyl]-2-naphthol
EC Number:
212-975-1
EC Name:
1-[[(2-hydroxyphenyl)imino]methyl]-2-naphthol
Cas Number:
894-93-9
Molecular formula:
C17H13NO2
IUPAC Name:
1-[(1E)-[(2-hydroxyphenyl)imino]methyl]naphthalen-2-ol

Results and discussion

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

Any other information on results incl. tables

BIOWIN v4.10 Results

 

Biowin1 (Linear Model Prediction) : Biodegrades Fast

Biowin2 (Non-Linear Model Prediction): Biodegrades 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

 2

 Aromatic alcohol [-OH]

 0.1158

 0.2316

MolWt

 *

 Molecular Weight Parameter

 

 -0.1253

Const

 *

 Equation Constant

 

 0.7475

RESULT

 Biowin1 (Linear Biodeg Probability) 

 

0.8538

 

 

TYPE

 NUM

 Biowin2 FRAGMENT DESCRIPTION

 COEFF

 VALUE

Frag

 2

 Aromatic alcohol [-OH]

 0.9086

 1.8172

MolWt

 *

 Molecular Weight Parameter

 

 -3.7388

RESULT

 Biowin2 (Non-Linear Biodeg Probability) 

 

0.7478

 

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

 2

 Aromatic alcohol [-OH]

 0.0564

 0.1128

MolWt

 *

 Molecular Weight Parameter

 

 -0.5819

Const

 *

 Equation Constant

 

 3.1992

RESULT

 Biowin3 (Survey Model - Ultimate Biodeg) 

 

2.7301

 

 

TYPE

 NUM

 Biowin4 FRAGMENT DESCRIPTION

 COEFF

 VALUE

Frag

 2

 Aromatic alcohol [-OH]

 0.0397

 0.0794

MolWt

 *

 Molecular Weight Parameter

 

 -0.3799

Const

 *

 Equation Constant

 

 3.8477

RESULT

 Biowin4 (Survey Model - Primary Biodeg) 

 

3.5472

 

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

 2

 Aromatic alcohol [-OH]

 0.0642

 0.1285

Frag

 1

 Aromatic-CH

 -0.0098

 -0.0098

Frag

 10

 Aromatic-H

 0.0082

 0.0822

MolWt

 *

 Molecular Weight Parameter

 

 -0.7833

Const

 *

 Equation Constant

 

 0.7121

RESULT

 Biowin5 (MITI Linear Biodeg Probability) 

 

0.1297

 

 

TYPE

 NUM

 Biowin6 FRAGMENT DESCRIPTION

 COEFF

 VALUE

Frag

 2

 Aromatic alcohol [-OH]

 0.4884

 0.9768

Frag

 1

 Aromatic-CH

 0.2624

 0.2624

Frag

 10

 Aromatic-H

 0.1201

 1.2014

MolWt

 *

 Molecular Weight Parameter

 

 -7.6011

RESULT

Biowin6 (MITI Non-Linear Biodeg Probability)

 

0.0669

 

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

 2

 Aromatic alcohol [-OH]

 0.0807

 0.1614

Frag

 1

 Aromatic-CH

 0.0331

 0.0331

Frag

 10

 Aromatic-H

 -0.0954

 -0.9543

Const

 *

 Equation Constant

 

 0.8361

RESULT

 Biowin7 (Anaerobic Linear Biodeg Prob)

 

 

0.0763

 

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

Interpretation of results:
not readily biodegradable