Registration Dossier

Environmental fate & pathways

Biodegradation in water: screening tests

Currently viewing:

Administrative data

Link to relevant study record(s)

Reference
Endpoint:
biodegradation in water: ready biodegradability
Type of information:
calculation (if not (Q)SAR)
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: Data is from computational model developed by USEPA
Qualifier:
according to
Guideline:
other: Modeling database
Principles of method if other than guideline:
The Biodegradation Probability Program (BIOWIN) estimates the probability for the rapid aerobic biodegradation of an organic chemical in the presence of mixed populations of environmental microorganisms .The model is part of the EpiSuite program of the US-EPA. Estimations are made with BIOWIN version 4.10Estimates are based upon fragment constants that were developed using multiple linear and non-linear regression analyses. Experimental biodegradation data for the multiple linear and non-linear regressions were obtained from Syracuse Research Corporation's (SRC) data base of evaluated biodegradation data (Howard et. al., 1987). This version (v4.10) designates the models as follows (see also Boethling et al. 2003):
Biowin1 = linear probability model
Biowin2 = nonlinear probability model
Biowin3 = expert survey ultimate biodegradation model
Biowin4 = expert survey primary biodegradation model
Biowin5 = MITI linear model
Biowin6 = MITI nonlinear model
Biowin7 = anaerobic biodegradation model
GLP compliance:
no
Oxygen conditions:
other: aerobic (Biowin 1-6) and anaerobic (Biowin 7)
Inoculum or test system:
other: mixed populations of environmental microorganisms
Details on inoculum:
no data
Details on study design:
Using the computer tool BIOWIN v4.10 by US-EPA (EPIWIN) the aerobic as well as the anaerobic biodegradability of the test material can be estimated. The follwoing seven different models are used by the tool: Linear Model, Non-Linear Model, Ultimate Biodegradation Timeframe, Primary Biodegradation Timeframe, MITI LInear Model, MITI Non-Linear Model and Anaerobic Model (calles Biowin 1-7, respectively). Due to this results the overall prediction of readily biodegradability is done for the desired chemical.
Parameter:
other: half life
Value:
50
Remarks on result:
other: other details not available
Details on results:
- BIOWIN 1 - linear biodegradation prediction: -0.0137: Does Not Biodegrades Fast
- BIOWIN 2 - non-linear biodegradation prediction: 0.0019: Does Not Biodegrade Fast
CRITERIA: A Probability Greater Than or Equal to 0.5 indicates --> Biodegrades Fast
CRITERIA: A Probability Less Than 0.5 indicates --> Does NOT Biodegrade Fast

- BIOWIN 3 - survey model ultimate biodegradation timeframe: 2.1921 Months
- BIOWIN 4 - survey model primary biodegradation timeframe: 3.1317 Weeks
CRITERIA: Result Classification: 5.00 -> hours 4.00 -> days 3.00 -> weeks
(Primary & Ultimate) 2.00 -> months 1.00 -> longer

- BIOWIN 5 - MITI linear biodegradation prediction: -0.0097: Does Not Biodegrade Fast
- BIOWIN 6 - MITI non-linear biodegradation prediction: 0.0041: Does Not Biodegrade Fast
CRITERIA: A Probability Greater Than or Equal to 0.5 indicates --> Readily Degradable
A Probability Less Than 0.5 indicates --> NOT Readily Degradable

- BIOWIN 7 - Anaerobic Linear biodegradation prediction: -0.4688: Does Not Biodegrade Fast
CRITERIA: 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: 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.

BIOWIN (v4.10) Program Results:

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

SMILES : N(=O)(=O)c(c(ccc1CL)CL)c1

CHEM : Benzene, 1,4-dichloro-2-nitro-

MOL FOR: C6 H3 CL2 N1 O2

MOL WT : 192.00

--------------------------- BIOWIN v4.10 Results ----------------------------

Biowin1 (Linear Model Prediction) : Does Not Biodegrade Fast

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

Biowin3 (Ultimate Biodegradation Timeframe): Months

Biowin4 (Primary Biodegradation Timeframe): 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 chloride [-CL] | -0.1824 | -0.3648

Frag | 1 | Aromatic nitro [-NO2] | -0.3050 | -0.3050

MolWt| * | Molecular Weight Parameter | | -0.0914

Const| * | Equation Constant | | 0.7475

============+============================================+=========+=========

RESULT | Biowin1 (Linear Biodeg Probability) | | -0.0137

============+============================================+=========+=========

------+-----+--------------------------------------------+---------+---------

TYPE | NUM | Biowin2 FRAGMENT DESCRIPTION | COEFF | VALUE

------+-----+--------------------------------------------+---------+---------

Frag | 2 | Aromatic chloride [-CL] | -2.0155 | -4.0310

Frag | 1 | Aromatic nitro [-NO2] | -2.5086 | -2.5086

MolWt| * | Molecular Weight Parameter | | -2.7264

============+============================================+=========+=========

RESULT | Biowin2 (Non-Linear Biodeg Probability) | | 0.0019

============+============================================+=========+=========

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 chloride [-CL] | -0.2066 | -0.4132

Frag | 1 | Aromatic nitro [-NO2] | -0.1696 | -0.1696

MolWt| * | Molecular Weight Parameter | | -0.4243

Const| * | Equation Constant | | 3.1992

============+============================================+=========+=========

RESULT | Biowin3 (Survey Model - Ultimate Biodeg) | | 2.1921

============+============================================+=========+=========

------+-----+--------------------------------------------+---------+---------

TYPE | NUM | Biowin4 FRAGMENT DESCRIPTION | COEFF | VALUE

------+-----+--------------------------------------------+---------+---------

Frag | 2 | Aromatic chloride [-CL] | -0.1653 | -0.3307

Frag | 1 | Aromatic nitro [-NO2] | -0.1084 | -0.1084

MolWt| * | Molecular Weight Parameter | | -0.2770

Const| * | Equation Constant | | 3.8477

============+============================================+=========+=========

RESULT | Biowin4 (Survey Model - Primary Biodeg) | | 3.1317

============+============================================+=========+=========

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 chloride [-CL] | 0.0062 | 0.0123

Frag | 1 | Aromatic nitro [-NO2] | -0.1876 | -0.1876

Frag | 3 | Aromatic-H | 0.0082 | 0.0247

MolWt| * | Molecular Weight Parameter | | -0.5712

Const| * | Equation Constant | | 0.7121

============+============================================+=========+=========

RESULT | Biowin5 (MITI Linear Biodeg Probability) | | -0.0097

============+============================================+=========+=========

------+-----+--------------------------------------------+---------+---------

TYPE | NUM | Biowin6 FRAGMENT DESCRIPTION | COEFF | VALUE

------+-----+--------------------------------------------+---------+---------

Frag | 2 | Aromatic chloride [-CL] | -0.2191 | -0.4383

Frag | 1 | Aromatic nitro [-NO2] | -2.4035 | -2.4035

Frag | 3 | Aromatic-H | 0.1201 | 0.3604

MolWt| * | Molecular Weight Parameter | | -5.5429

============+============================================+=========+=========

RESULT |Biowin6 (MITI Non-Linear Biodeg Probability)| | 0.0041

============+============================================+=========+=========

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 chloride [-CL] | -0.4023 | -0.8045

Frag | 1 | Aromatic nitro [-NO2] | -0.2141 | -0.2141

Frag | 3 | Aromatic-H | -0.0954 | -0.2863

Const| * | Equation Constant | | 0.8361

============+============================================+=========+=========

RESULT | Biowin7 (Anaerobic Linear Biodeg Prob) | | -0.4688

============+============================================+=========+=========

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.

Interpretation of results:
under test conditions no biodegradation observed
Conclusions:
The screening test inherent to the biodegradability of the substance was calculated using the software BIOWIN v4.10.
The results indicate that 2, 5 dichloronitrobenzene is not expected to be readily biodegradable.
Executive summary:

The screening test inherent to the biodegradability of the substance was calculated using the software BIOWIN v4.10.

The results indicate that 2, 5 dichloronitrobenzene is not expected to be readily biodegradable.

Description of key information

The screening test inherent to the biodegradability of the substance was calculated using the software BIOWIN v4.10.

The results indicate that 2, 5 dichloronitrobenzene is not expected to be readily biodegradable.

Key value for chemical safety assessment

Biodegradation in water:
under test conditions no biodegradation observed

Additional information

The screening test inherent to the biodegradability of the substance was calculated using the software BIOWIN v4.10.

The results indicate that 2, 5 dichloronitrobenzene is not expected to be readily biodegradable.