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Environmental fate & pathways

Biodegradation in water: screening tests

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Reference
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
Justification for type of information:
QSAR prediction: US EPA accepted QSAR method for chemicals properties assessment. Model considered valid by OECD
Qualifier:
no guideline required
Principles of method if other than guideline:
QSAR-BioWin v 4.10
GLP compliance:
no
Remarks:
not applicable. QSAR model
Oxygen conditions:
other: QSAR
Inoculum or test system:
other: QSAR
Details on inoculum:
QSAR
Parameter:
other: BIOWIN v4.10
Remarks on result:
other: Ready Biodegradability Prediction: YES
Details on results:
--------------------------- BIOWIN v4.10 Results ----------------------------

Biowin1 (Linear Model Prediction) : Biodegrades Fast
Biowin2 (Non-Linear Model Prediction): Biodegrades Fast
Biowin3 (Ultimate Biodegradation Timeframe): Weeks
Biowin4 (Primary Biodegradation Timeframe): Days
Biowin5 (MITI Linear Model Prediction) : Biodegrades Fast
Biowin6 (MITI Non-Linear Model Prediction): Biodegrades Fast
Biowin7 (Anaerobic Model Prediction): Biodegrades Fast
Ready Biodegradability Prediction: YES

BIOWIN (v4.10) Program Results:

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

SMILES : KOK

CHEM  : Potash (potassium oxide)

MOL FOR: O1

MOL WT : 94.20

 

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

 

 Biowin1 (Linear Model Prediction)   : Biodegrades Fast

  Biowin2 (Non-Linear Model Prediction): Biodegrades Fast

  Biowin3 (Ultimate Biodegradation Timeframe): Weeks

  Biowin4 (Primary Biodegradation Timeframe): Days

  Biowin5 (MITI Linear Model Prediction)   : Biodegrades Fast

  Biowin6 (MITI Non-Linear Model Prediction): Biodegrades Fast

  Biowin7 (Anaerobic Model Prediction): Biodegrades Fast

  Ready Biodegradability Prediction: YES

 

 

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

 TYPE | NUM |      Biowin1 FRAGMENT DESCRIPTION        | COEFF | VALUE 

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

 MolWt| * | Molecular Weight Parameter                                      |        | -0.0086

 Const| * | Equation Constant                                                        |        | 0.7475

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

  RESULT  |   Biowin1 (Linear Biodeg Probability)                     |        | 0.7390

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

 

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

 TYPE | NUM |      Biowin2 FRAGMENT DESCRIPTION        | COEFF | VALUE 

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

 MolWt| * | Molecular Weight Parameter                                                  |        | -0.2558

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

  RESULT  | Biowin2 (Non-Linear Biodeg Probability)                            |        | 0.9401

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

 

 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 

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

 MolWt| * | Molecular Weight Parameter                                      |          | -0.0398

 Const| * | Equation Constant                                                           |        | 3.1992

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

  RESULT  | Biowin3 (Survey Model - Ultimate Biodeg)             |        | 3.1594

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

 

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

 TYPE | NUM |      Biowin4 FRAGMENT DESCRIPTION        | COEFF | VALUE 

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

 MolWt| * | Molecular Weight Parameter                                       |        | -0.0260

 Const| * | Equation Constant                                                         |        | 3.8477

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

  RESULT  |  Biowin4 (Survey Model - Primary Biodeg)             |        | 3.8217

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

 

 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 

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

 MolWt| * | Molecular Weight Parameter                                      |        | -0.0536

 Const| * | Equation Constant                                                         |        | 0.7121

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

  RESULT  | Biowin5 (MITI Linear Biodeg Probability)               |        | 0.6585

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

 

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

 TYPE | NUM |      Biowin6 FRAGMENT DESCRIPTION        | COEFF | VALUE 

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

 MolWt| * | Molecular Weight Parameter                                      |        | -0.5201

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

  RESULT  |Biowin6 (MITI Non-Linear Biodeg Probability)        |        | 0.8814

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

 

 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 

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

 Const| * | Equation Constant                                                        |        | 0.8361

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

  RESULT  |  Biowin7 (Anaerobic Linear Biodeg Prob)                |        | 0.8361

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

 

 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.

Validity criteria fulfilled:
yes
Interpretation of results:
readily biodegradable
Conclusions:
The BIOWIN QSAR predicts that the substance Dipotassium oxide/Potassium oxide will be readily biodegradable.
Executive summary:

The estimated Biodegradetion in Water was measured by calculation from EPI SuiteTM v4.1/BIOWIN v4.10 Program and Ready Biodegradation was predicted. This is Exposure Assessment Tools and Models made from EPA (Environmental Protection Agency).

 

BIOWIN v4.10 Results:

 

 Biowin1 (Linear Model Prediction)   : Biodegrades Fast

 Biowin2 (Non-Linear Model Prediction): Biodegrades Fast

 Biowin3 (Ultimate Biodegradation Timeframe): Weeks

 Biowin4 (Primary Biodegradation Timeframe): Days

 Biowin5 (MITI Linear Model Prediction)   : Biodegrades Fast

 Biowin6 (MITI Non-Linear Model Prediction): Biodegrades Fast

 Biowin7 (Anaerobic Model Prediction): Biodegrades Fast

 Ready Biodegradability Prediction: YES

 

Description of key information

The estimated Biodegradetion in Water was measured by calculation from EPI SuiteTM v4.1/BIOWIN v4.10 Program and Ready Biodegradation was predicted. This is Exposure Assessment Tools and Models made from EPA (Environmental Protection Agency).
 
BIOWIN v4.10 Results:
 
 Biowin1 (Linear Model Prediction)   : Biodegrades Fast
 Biowin2 (Non-Linear Model Prediction): Biodegrades Fast
 Biowin3 (Ultimate Biodegradation Timeframe): Weeks
 Biowin4 (Primary Biodegradation Timeframe): Days
 Biowin5 (MITI Linear Model Prediction)   : Biodegrades Fast
 Biowin6 (MITI Non-Linear Model Prediction): Biodegrades Fast
 Biowin7 (Anaerobic Model Prediction): Biodegrades Fast
 Ready Biodegradability Prediction: YES

Key value for chemical safety assessment

Biodegradation in water:
readily biodegradable

Additional information

The estimated Biodegradetion in Water was measured by calculation from EPI SuiteTM v4.1/BIOWIN v4.10Program and Ready Biodegradation was predicted. This is Exposure Assessment Tools and Models made from EPA (Environmental Protection Agency).

 

BIOWIN v4.10 Results:

 

 Biowin1 (Linear Model Prediction)   : Biodegrades Fast

 Biowin2 (Non-Linear Model Prediction): Biodegrades Fast

 Biowin3 (Ultimate Biodegradation Timeframe): Weeks

 Biowin4 (Primary Biodegradation Timeframe): Days

 Biowin5 (MITI Linear Model Prediction)   : Biodegrades Fast

 Biowin6 (MITI Non-Linear Model Prediction): Biodegrades Fast

 Biowin7 (Anaerobic Model Prediction): Biodegrades Fast

 Ready Biodegradability Prediction: YES