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Environmental fate & pathways

Biodegradation in water: screening tests

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Administrative data

Endpoint:
biodegradation in water: ready biodegradability
Type of information:
calculation (if not (Q)SAR)
Adequacy of study:
key study
Study period:
2016-06-02
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
accepted calculation method
Justification for type of information:
The BIOWIN model v.4.10 (described in Boethling et al. 2003) of the programme EPISuite v.4.10 (Copyright 2000-2008 US EPA) predicts the probability of biodegradation (aerobic and anaerobic) of organic compounds with seven seperate models. The programm is well-accepted tool for the prediction of biodegradability.




Data source

Referenceopen allclose all

Reference Type:
other: QSAR method
Title:
Unnamed
Year:
2016
Report date:
2016
Title:
Unnamed
Year:
2010

Materials and methods

Test guideline
Guideline:
other: (Q)SAR method
Principles of method if other than guideline:
BIOWIN model v.4.10 in EPISuite v.4.10 (Copyright 2000-2008 US EPA), Boethling et al. 2003

Test material

Constituent 1
Chemical structure
Reference substance name:
1-chlorododecane
EC Number:
203-981-5
EC Name:
1-chlorododecane
Cas Number:
112-52-7
Molecular formula:
C12H25Cl
IUPAC Name:
1-chlorododecane
Test material form:
not specified
Specific details on test material used for the study:
CAS Number: 112-52-7
SMILES : CLCCCCCCCCCCCC
CHEM : Dodecane, 1-chloro-
MOL FOR: C12 H25 CL1
MOL WT : 204.79

Results and discussion

% Degradation
Parameter:
other: Ready biodegradability prediction
Remarks on result:
readily biodegradable based on QSAR/QSPR prediction
Details on results:
BIOWIN predicted that Dodecane, 1-chloro- is readily biodegradable.

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

Biowin4 (Primary Biodegradation Timeframe): Days-Weeks

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

Probability of Rapid Biodegradation (BIOWIN v4.10):

  Biowin1 (Linear Model)         :   0.6471

  Biowin2 (Non-Linear Model)     :   0.5229

Expert Survey Biodegradation Results:

  Biowin3 (Ultimate Survey Model):   2.8718  (weeks       )

  Biowin4 (Primary Survey Model) :   3.7207  (days-weeks  )

MITI Biodegradation Probability:

  Biowin5 (MITI Linear Model)    :   0.6480

  Biowin6 (MITI Non-Linear Model):   0.6723

Anaerobic Biodegradation Probability:

  Biowin7 (Anaerobic Linear Model):  0.7100

Ready Biodegradability Prediction:   YES

Applicant's summary and conclusion

Validity criteria fulfilled:
not applicable
Remarks:
(Q)SAR method
Interpretation of results:
readily biodegradable
Conclusions:
The BIOWIN model predicted that the test substance is readily biodegradable.

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