Registration Dossier

Data platform availability banner - registered substances factsheets

Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.

The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.

Diss Factsheets

Environmental fate & pathways

Biodegradation in water: screening tests

Currently viewing:

Administrative data

Endpoint:
biodegradation in water: screening tests
Type of information:
(Q)SAR
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: Validated QSAR model
Justification for type of information:
QSAR prediction: migrated from IUCLID 5.6

Data source

Reference
Reference Type:
other: Software
Title:
Unnamed
Year:
2000
Report date:
2010

Materials and methods

Principles of method if other than guideline:
Calculation with validated model: BIOWIN (v4.10)
Linear and Non-Linear Biodegradation Models (Biowin 1 and 2)
Ultimate and Primary Biodegradation Models (Biowin 3 and 4)
Linear and Non-Linear MITI Biodegradation Model (Biowin 5 and Biowin 6)
Anaerobic Biodegradation Model (Biowin 7)
GLP compliance:
no

Test material

Constituent 1
Reference substance name:
Nc1ccc(cc1)S(=O)(=O)CCOS(=O)(=O)O
IUPAC Name:
Nc1ccc(cc1)S(=O)(=O)CCOS(=O)(=O)O
Details on test material:
SMILES : Nc1ccc(cc1)S(=O)(=O)CCOS(=O)(=O)O

Results and discussion

% Degradation
Remarks on result:
other: BIOWIN: Not readiliy biodegradable
Details on results:
BIOWIN (v4.10) Program Results:
==============================
SMILES : Nc1ccc(cc1)S(=O)(=O)CCOS(=O)(=O)O
CHEM : Parabasenester
MOL FOR: C8 H11 N1 O6 S2
MOL WT : 281.30
--------------------------- 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): Weeks-Months
Biowin4 (Primary Biodegradation Timeframe): Days-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

Applicant's summary and conclusion

Validity criteria fulfilled:
yes
Interpretation of results:
other: Does NOT Biodegrade Fast
Conclusions:
Does NOT Biodegrade Fast
Executive summary:

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model)        :  0.3799

Biowin2 (Non-Linear Model)    :  0.0525

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model):  2.4426 (weeks-months)

Biowin4 (Primary Survey Model) :  3.3335 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model)   : -0.1507

Biowin6 (MITI Non-Linear Model):  0.0041

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.2285

Ready Biodegradability Prediction:  NO

Removal In Wastewater Treatment:

Total removal:              1.85 percent

Total biodegradation:       0.09 percent

Total sludge adsorption:    1.75 percent

Total to Air:               0.00 percent

(using 10000 hr Bio P,A,S)