Reaction mass of 1-chlorodecane and 1-chlorododecane

Biodegradation in water: screening tests

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

Reference

Reference 1

Reference Type:

other: QSAR method

Title:

Unnamed

Year:

2016

Report date:

2016

Reference 2

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

Test material information

Constituent 1

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.