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Environmental fate & pathways

Biodegradation in soil

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Link to relevant study record(s)

Reference
Endpoint:
biodegradation in soil: simulation testing
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 from an well known and acknowledged tool.
Qualifier:
according to guideline
Guideline:
other: REACH guidance on QSARs: Chapter R.6. QSARs and grouping of chemicals
Principles of method if other than guideline:
The degradation half life values in soil were estimated for the constituents. Level III Fugacity Model (EQC Default) was used for the degradation half life in soil predictions.
Key result
DT50:
ca. 30 d
Remarks on result:
other: Level III Fugacity Model: (EQC Default) estimation
Transformation products:
not specified

Results:

Constituents

BIOWIN3 model calculated ratings

Soil biodegradation half life by level III fugacity model (days)

Domain evaluation

1

2.9547

30

ID - MW, structural fragments, calculated ratings

2

2.8971

30

ID - MW, structural fragments, calculated ratings

3

2.8927

30

ID - MW, structural fragments, calculated ratings

ID: in domain; MW: molecular weight

SMILES : CCCCCCCCCCCCCCCCN(H)(C)(CCO)CCCN(H)(C)(CCO)CCO      
CHEM  :       
MOL FOR: C27 H62 N2 O3       
MOL WT : 462.81 ID 53.06 697.65
--------------------------- 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)   : Readily Degradable      
  Biowin6 (MITI Non-Linear Model Prediction): Readily Degradable      
  Biowin7 (Anaerobic Model Prediction): Biodegrades Fast      
  Ready Biodegradability Prediction: YES      
       
------+-----+--------------------------------------------+---------+---------      
 TYPE | NUM |      Biowin1 FRAGMENT DESCRIPTION        | COEFF | VALUE        
------+-----+--------------------------------------------+---------+---------      
 Frag | 1 | Linear C4 terminal chain [CCC-CH3]      | 0.1084 | 0.1084      
 Frag | 3 | Aliphatic alcohol [-OH]                 | 0.1587 | 0.4762      
 MolWt| * | Molecular Weight Parameter               |        | -0.2203      
 Const| * | Equation Constant                        |        | 0.7475      
============+============================================+=========+=========      
  RESULT  |   Biowin1 (Linear Biodeg Probability)    |        | 1.1118      
============+============================================+=========+=========      
       
------+-----+--------------------------------------------+---------+---------      
 TYPE | NUM |      Biowin2 FRAGMENT DESCRIPTION        | COEFF | VALUE        
------+-----+--------------------------------------------+---------+---------      
 Frag | 1 | Linear C4 terminal chain [CCC-CH3]      | 1.8437 | 1.8437      
 Frag | 3 | Aliphatic alcohol [-OH]                 | 1.1178 | 3.3534      
 MolWt| * | Molecular Weight Parameter               |        | -6.5719      
============+============================================+=========+=========      
  RESULT  | Biowin2 (Non-Linear Biodeg Probability)  |        | 0.8367      
============+============================================+=========+=========      
       
 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 | 1 | Linear C4 terminal chain [CCC-CH3]      | 0.2983 | 0.2983 ID 3  
 Frag | 3 | Aliphatic alcohol [-OH]                 | 0.1600 | 0.4799 ID 3  
 MolWt| * | Molecular Weight Parameter               |        | -1.0227      
 Const| * | Equation Constant                        |        | 3.1992      
============+============================================+=========+=========   Ratings  
  RESULT  | Biowin3 (Survey Model - Ultimate Biodeg) |        | 2.9547 ID 1.44 3.89
============+============================================+=========+=========      
       
------+-----+--------------------------------------------+---------+---------      
 TYPE | NUM |      Biowin4 FRAGMENT DESCRIPTION        | COEFF | VALUE        
------+-----+--------------------------------------------+---------+---------      
 Frag | 1 | Linear C4 terminal chain [CCC-CH3]      | 0.2691 | 0.2691      
 Frag | 3 | Aliphatic alcohol [-OH]                 | 0.1294 | 0.3883      
 MolWt| * | Molecular Weight Parameter               |        | -0.6677      
 Const| * | Equation Constant                        |        | 3.8477      
============+============================================+=========+=========      
  RESULT  |  Biowin4 (Survey Model - Primary Biodeg) |        | 3.8374      
============+============================================+=========+=========      
       
 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 | Aliphatic alcohol [-OH]                 | 0.1359 | 0.4077      
 Frag | 3 | Methyl [-CH3]                           | 0.0399 | 0.1198      
 Frag | 24 | -CH2- [linear]                          | 0.0255 | 0.6127      
 Frag | 1 | Quaternary amine                         | -0.0553 | -0.0553      
 MolWt| * | Molecular Weight Parameter               |        | -0.7298      
 Const| * | Equation Constant                        |        | 0.5544      
============+============================================+=========+=========      
  RESULT  | Biowin5 (MITI Linear Biodeg Probability) |        | 0.9095      
============+============================================+=========+=========      
       
------+-----+--------------------------------------------+---------+---------      
 TYPE | NUM |      Biowin6 FRAGMENT DESCRIPTION        | COEFF | VALUE        
------+-----+--------------------------------------------+---------+---------      
 Frag | 3 | Aliphatic alcohol [-OH]                 | 0.7145 | 2.1434      
 Frag | 3 | Methyl [-CH3]                           | 0.2351 | 0.7053      
 Frag | 24 | -CH2- [linear]                          | 0.2345 | 5.6280      
 Frag | 1 | Quaternary amine                         | -0.2508 | -0.2508      
 MolWt| * | Molecular Weight Parameter               |        | -8.0066      
============+============================================+=========+=========      
  RESULT  |Biowin6 (MITI Non-Linear Biodeg Probability)|        | 0.8678      
============+============================================+=========+=========      
       
 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 | 1 | Linear C4 terminal chain [CCC-CH3]      | -0.3177 | -0.3177      
 Frag | 3 | Aliphatic alcohol [-OH]                 | 0.1328 | 0.3983      
 Frag | 3 | Methyl [-CH3]                           | -0.0796 | -0.2387      
 Frag | 24 | -CH2- [linear]                          | 0.0260 | 0.6238      
 Frag | 1 | Quaternary amine                         | -0.4377 | -0.4377      
 Const| * | Equation Constant                        |        | 0.8361      
============+============================================+=========+=========      
  RESULT  |  Biowin7 (Anaerobic Linear Biodeg Prob)  |        | 0.8640      
============+============================================+=========+=========      
       
 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.      
       
       
SMILES : CCCCCCCCC=CCCCCCCCCN(H)(C)(CCO)CCCN(H)(C)(CCO)CCO      
CHEM  :       
MOL FOR: C29 H66 N2 O3       
MOL WT : 490.86 ID 53.06 697.65
--------------------------- 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)   : Readily Degradable      
  Biowin6 (MITI Non-Linear Model Prediction): Readily Degradable      
  Biowin7 (Anaerobic Model Prediction): Biodegrades Fast      
  Ready Biodegradability Prediction: YES      
       
------+-----+--------------------------------------------+---------+---------      
 TYPE | NUM |      Biowin1 FRAGMENT DESCRIPTION        | COEFF | VALUE        
------+-----+--------------------------------------------+---------+---------      
 Frag | 1 | Linear C4 terminal chain [CCC-CH3]      | 0.1084 | 0.1084      
 Frag | 3 | Aliphatic alcohol [-OH]                 | 0.1587 | 0.4762      
 MolWt| * | Molecular Weight Parameter               |        | -0.2337      
 Const| * | Equation Constant                        |        | 0.7475      
============+============================================+=========+=========      
  RESULT  |   Biowin1 (Linear Biodeg Probability)    |        | 1.0985      
============+============================================+=========+=========      
       
------+-----+--------------------------------------------+---------+---------      
 TYPE | NUM |      Biowin2 FRAGMENT DESCRIPTION        | COEFF | VALUE        
------+-----+--------------------------------------------+---------+---------      
 Frag | 1 | Linear C4 terminal chain [CCC-CH3]      | 1.8437 | 1.8437      
 Frag | 3 | Aliphatic alcohol [-OH]                 | 1.1178 | 3.3534      
 MolWt| * | Molecular Weight Parameter               |        | -6.9702      
============+============================================+=========+=========      
  RESULT  | Biowin2 (Non-Linear Biodeg Probability)  |        | 0.7748      
============+============================================+=========+=========      
       
 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 | 1 | Linear C4 terminal chain [CCC-CH3]      | 0.2983 | 0.2983 ID 3  
 Frag | 3 | Aliphatic alcohol [-OH]                 | 0.1600 | 0.4799 ID 3  
 MolWt| * | Molecular Weight Parameter               |        | -1.0847      
 Const| * | Equation Constant                        |        | 3.1992      
============+============================================+=========+=========   Ratings  
  RESULT  | Biowin3 (Survey Model - Ultimate Biodeg) |        | 2.8927 ID 1.44 3.89
============+============================================+=========+=========      
       
------+-----+--------------------------------------------+---------+---------      
 TYPE | NUM |      Biowin4 FRAGMENT DESCRIPTION        | COEFF | VALUE        
------+-----+--------------------------------------------+---------+---------      
 Frag | 1 | Linear C4 terminal chain [CCC-CH3]      | 0.2691 | 0.2691      
 Frag | 3 | Aliphatic alcohol [-OH]                 | 0.1294 | 0.3883      
 MolWt| * | Molecular Weight Parameter               |        | -0.7082      
 Const| * | Equation Constant                        |        | 3.8477      
============+============================================+=========+=========      
  RESULT  |  Biowin4 (Survey Model - Primary Biodeg) |        | 3.7970      
============+============================================+=========+=========      
       
 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 | Aliphatic alcohol [-OH]                 | 0.1359 | 0.4077      
 Frag | 3 | Methyl [-CH3]                           | 0.0399 | 0.1198      
 Frag | 26 | -CH2- [linear]                          | 0.0255 | 0.6638      
 Frag | 1 | Quaternary amine                         | -0.0553 | -0.0553      
 MolWt| * | Molecular Weight Parameter               |        | -0.7741      
 Const| * | Equation Constant                        |        | 0.5544      
============+============================================+=========+=========      
  RESULT  | Biowin5 (MITI Linear Biodeg Probability) |        | 0.9163      
============+============================================+=========+=========      
       
------+-----+--------------------------------------------+---------+---------      
 TYPE | NUM |      Biowin6 FRAGMENT DESCRIPTION        | COEFF | VALUE        
------+-----+--------------------------------------------+---------+---------      
 Frag | 3 | Aliphatic alcohol [-OH]                 | 0.7145 | 2.1434      
 Frag | 3 | Methyl [-CH3]                           | 0.2351 | 0.7053      
 Frag | 26 | -CH2- [linear]                          | 0.2345 | 6.0970      
 Frag | 1 | Quaternary amine                         | -0.2508 | -0.2508      
 MolWt| * | Molecular Weight Parameter               |        | -8.4919      
============+============================================+=========+=========      
  RESULT  |Biowin6 (MITI Non-Linear Biodeg Probability)|        | 0.8659      
============+============================================+=========+=========      
       
 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 | 1 | Linear C4 terminal chain [CCC-CH3]      | -0.3177 | -0.3177      
 Frag | 3 | Aliphatic alcohol [-OH]                 | 0.1328 | 0.3983      
 Frag | 3 | Methyl [-CH3]                           | -0.0796 | -0.2387      
 Frag | 26 | -CH2- [linear]                          | 0.0260 | 0.6757      
 Frag | 1 | Quaternary amine                         | -0.4377 | -0.4377      
 Const| * | Equation Constant                        |        | 0.8361      
============+============================================+=========+=========      
  RESULT  |  Biowin7 (Anaerobic Linear Biodeg Prob)  |        | 0.9160      
============+============================================+=========+=========      
       
 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.      
       
       
       
SMILES : CCCCCCCCCCCCCCCCCCN(H)(C)(CCO)CCCN(H)(C)(CCO)CCO      
CHEM  :       
MOL FOR: C29 H66 N2 O3       
MOL WT : 490.86 ID 53.06 697.65
--------------------------- 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)   : Readily Degradable      
  Biowin6 (MITI Non-Linear Model Prediction): Readily Degradable      
  Biowin7 (Anaerobic Model Prediction): Biodegrades Fast      
  Ready Biodegradability Prediction: YES      
       
------+-----+--------------------------------------------+---------+---------      
 TYPE | NUM |      Biowin1 FRAGMENT DESCRIPTION        | COEFF | VALUE        
------+-----+--------------------------------------------+---------+---------      
 Frag | 1 | Linear C4 terminal chain [CCC-CH3]      | 0.1084 | 0.1084      
 Frag | 3 | Aliphatic alcohol [-OH]                 | 0.1587 | 0.4762      
 MolWt| * | Molecular Weight Parameter               |        | -0.2337      
 Const| * | Equation Constant                        |        | 0.7475      
============+============================================+=========+=========      
  RESULT  |   Biowin1 (Linear Biodeg Probability)    |        | 1.0985      
============+============================================+=========+=========      
       
------+-----+--------------------------------------------+---------+---------      
 TYPE | NUM |      Biowin2 FRAGMENT DESCRIPTION        | COEFF | VALUE        
------+-----+--------------------------------------------+---------+---------      
 Frag | 1 | Linear C4 terminal chain [CCC-CH3]      | 1.8437 | 1.8437      
 Frag | 3 | Aliphatic alcohol [-OH]                 | 1.1178 | 3.3534      
 MolWt| * | Molecular Weight Parameter               |        | -6.9702      
============+============================================+=========+=========      
  RESULT  | Biowin2 (Non-Linear Biodeg Probability)  |        | 0.7748      
============+============================================+=========+=========      
       
 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 | 1 | Linear C4 terminal chain [CCC-CH3]      | 0.2983 | 0.2983 ID 3  
 Frag | 3 | Aliphatic alcohol [-OH]                 | 0.1600 | 0.4799 ID 3  
 MolWt| * | Molecular Weight Parameter               |        | -1.0847      
 Const| * | Equation Constant                        |        | 3.1992      
============+============================================+=========+=========   Ratings  
  RESULT  | Biowin3 (Survey Model - Ultimate Biodeg) |        | 2.8927 ID 1.44 3.89
============+============================================+=========+=========      
       
------+-----+--------------------------------------------+---------+---------      
 TYPE | NUM |      Biowin4 FRAGMENT DESCRIPTION        | COEFF | VALUE        
------+-----+--------------------------------------------+---------+---------      
 Frag | 1 | Linear C4 terminal chain [CCC-CH3]      | 0.2691 | 0.2691      
 Frag | 3 | Aliphatic alcohol [-OH]                 | 0.1294 | 0.3883      
 MolWt| * | Molecular Weight Parameter               |        | -0.7082      
 Const| * | Equation Constant                        |        | 3.8477      
============+============================================+=========+=========      
  RESULT  |  Biowin4 (Survey Model - Primary Biodeg) |        | 3.7970      
============+============================================+=========+=========      
       
 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 | Aliphatic alcohol [-OH]                 | 0.1359 | 0.4077      
 Frag | 3 | Methyl [-CH3]                           | 0.0399 | 0.1198      
 Frag | 26 | -CH2- [linear]                          | 0.0255 | 0.6638      
 Frag | 1 | Quaternary amine                         | -0.0553 | -0.0553      
 MolWt| * | Molecular Weight Parameter               |        | -0.7741      
 Const| * | Equation Constant                        |        | 0.5544      
============+============================================+=========+=========      
  RESULT  | Biowin5 (MITI Linear Biodeg Probability) |        | 0.9163      
============+============================================+=========+=========      
       
------+-----+--------------------------------------------+---------+---------      
 TYPE | NUM |      Biowin6 FRAGMENT DESCRIPTION        | COEFF | VALUE        
------+-----+--------------------------------------------+---------+---------      
 Frag | 3 | Aliphatic alcohol [-OH]                 | 0.7145 | 2.1434      
 Frag | 3 | Methyl [-CH3]                           | 0.2351 | 0.7053      
 Frag | 26 | -CH2- [linear]                          | 0.2345 | 6.0970      
 Frag | 1 | Quaternary amine                         | -0.2508 | -0.2508      
 MolWt| * | Molecular Weight Parameter               |        | -8.4919      
============+============================================+=========+=========      
  RESULT  |Biowin6 (MITI Non-Linear Biodeg Probability)|        | 0.8659      
============+============================================+=========+=========      
       
 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 | 1 | Linear C4 terminal chain [CCC-CH3]      | -0.3177 | -0.3177      
 Frag | 3 | Aliphatic alcohol [-OH]                 | 0.1328 | 0.3983      
 Frag | 3 | Methyl [-CH3]                           | -0.0796 | -0.2387      
 Frag | 26 | -CH2- [linear]                          | 0.0260 | 0.6757      
 Frag | 1 | Quaternary amine                         | -0.4377 | -0.4377      
 Const| * | Equation Constant                        |        | 0.8361      
============+============================================+=========+=========      
  RESULT  |  Biowin7 (Anaerobic Linear Biodeg Prob)  |        | 0.9160      
============+============================================+=========+=========      
       
 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.      
       
 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.      
Conclusions:
Using the Level III Fugacity Model (EQC Default), the degradation half-life in soil values for the constituents of the test substance was predicted to be 30 days.

Executive summary:

The degradation half-life in soil value for the test substance was estimated using the Level III Fugacity Model (EQC Default) (EPI Suite v4.11). The degradation half-life in soil values were estimated for the individual components. SMILES codes were used as the input parameter for the degradation half-life in soil estimation for the individual constituents. Using the Level III Fugacity Model (EQC Default), the degradation half-life in soil values for the constituents of the test substance was predicted to be 30 days (US EPA, 2021). On comparing, all of the three constituents meet the calculated rating domain criteria, molecular weight and structural fragments domain cut-off criteria. Given that the predictions of the individual constituents were completely within domain for the parameters, the uncertainty in the accuracy of the QSAR predictions are overall considered to be low. Overall, considering the range of individual degradation half-life in soil predictions values for the constituents, the test substance is expected to be biodegradable in soil and does not fulfil the P or vP criteria according to the REACH Technical Guidance Document Chapter R.11 (Table R.11—1) as well as in Section 1 of Annex XIII to the REACH Regulation.

Description of key information

Overall, considering the range of individual degradation half-life in soil predictions values for the constituents, the test substance is expected to be biodegradable in soil and does not fulfil the P or vP criteria according to the REACH Technical Guidance Document Chapter R.11 (Table R.11—1) as well as in Section 1 of Annex XIII to the REACH Regulation.

Key value for chemical safety assessment

Half-life in soil:
30 d
at the temperature of:
25 °C

Additional information

The degradation half-life in soil value for the test substance was estimated using the Level III Fugacity Model (EQC Default) (EPI Suite v4.11). The degradation half-life in soil values were estimated for the individual components. SMILES codes were used as the input parameter for the degradation half-life in soil estimation for the individual constituents. Using the Level III Fugacity Model (EQC Default), the degradation half-life in soil values for the constituents of the test substance was predicted to be 30 days (US EPA, 2021). On comparing, all of the three constituents meet the calculated rating domain criteria, molecular weight and structural fragments domain cut-off criteria. Given that the predictions of the individual constituents were completely within domain for the parameters, the uncertainty in the accuracy of the QSAR predictions are overall considered to be low. Overall, considering the range of individual degradation half-life in soil predictions values for the constituents, the test substance is expected to be biodegradable in soil and does not fulfil the P or vP criteria according to the REACH Technical Guidance Document Chapter R.11 (Table R.11—1) as well as in Section 1 of Annex XIII to the REACH Regulation.

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