Registration Dossier
Registration Dossier
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EC number: 201-879-5 | CAS number: 89-05-4
Environmental fate & pathways
Biodegradation in water: screening tests
Administrative data
- Endpoint:
- biodegradation in water: ready biodegradability
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Justification for type of information:
- QSAR prediction: migrated from IUCLID 5.6
Data source
Reference
- Title:
- No information
- Author:
- Anonymous
- Year:
- 2 010
- Bibliographic source:
- BIOWIN v4.10 (Epiweb 4.0)
Materials and methods
Test guideline
- Guideline:
- OECD Guideline 301 C (Ready Biodegradability: Modified MITI Test (I))
- GLP compliance:
- no
Test material
- Reference substance name:
- Benzene-1,2,4,5-tetracarboxylic acid
- EC Number:
- 201-879-5
- EC Name:
- Benzene-1,2,4,5-tetracarboxylic acid
- Cas Number:
- 89-05-4
- Molecular formula:
- C10H6O8
- IUPAC Name:
- benzene-1,2,4,5-tetracarboxylic acid
Constituent 1
Results and discussion
% Degradation
- Value:
- 50
- Sampling time:
- 2.989 wk
- Remarks on result:
- other: readily biodegradable
- Details on results:
- BIOWIN (v4.10) Program Results:
==============================
SMILES : O=C(O)c(c(cc(c1C(=O)O)C(=O)O)C(=O)O)c1
CHEM : 1,2,4,5-Benzenetetracarboxylic acid
MOL FOR: C10 H6 O8
MOL WT : 254.15
--------------------------- 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
------+-----+--------------------------------------------+---------+---------
TYPE | NUM | Biowin1 FRAGMENT DESCRIPTION | COEFF | VALUE
------+-----+--------------------------------------------+---------+---------
Frag | 4 | Aromatic acid [-C(=O)-OH] | 0.1769 | 0.7074
MolWt| * | Molecular Weight Parameter | | -0.1210
Const| * | Equation Constant | | 0.7475
============+============================================+=========+=========
RESULT | Biowin1 (Linear Biodeg Probability) | | 1.3340
============+============================================+=========+=========
------+-----+--------------------------------------------+---------+---------
TYPE | NUM | Biowin2 FRAGMENT DESCRIPTION | COEFF | VALUE
------+-----+--------------------------------------------+---------+---------
Frag | 4 | Aromatic acid [-C(=O)-OH] | 2.4224 | 9.6896
MolWt| * | Molecular Weight Parameter | | -3.6090
============+============================================+=========+=========
RESULT | Biowin2 (Non-Linear Biodeg Probability) | | 0.9999
============+============================================+=========+=========
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 | 4 | Aromatic acid [-C(=O)-OH] | 0.0879 | 0.3515
MolWt| * | Molecular Weight Parameter | | -0.5616
Const| * | Equation Constant | | 3.1992
============+============================================+=========+=========
RESULT | Biowin3 (Survey Model - Ultimate Biodeg) | | 2.9890
============+============================================+=========+=========
------+-----+--------------------------------------------+---------+---------
TYPE | NUM | Biowin4 FRAGMENT DESCRIPTION | COEFF | VALUE
------+-----+--------------------------------------------+---------+---------
Frag | 4 | Aromatic acid [-C(=O)-OH] | 0.0077 | 0.0310
MolWt| * | Molecular Weight Parameter | | -0.3667
Const| * | Equation Constant | | 3.8477
============+============================================+=========+=========
RESULT | Biowin4 (Survey Model - Primary Biodeg) | | 3.5121
============+============================================+=========+=========
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 | 4 | Aromatic acid [-C(=O)-OH] | 0.3770 | 1.5079
Frag | 2 | Aromatic-H | 0.0082 | 0.0164
MolWt| * | Molecular Weight Parameter | | -0.7561
Const| * | Equation Constant | | 0.7121
============+============================================+=========+=========
RESULT | Biowin5 (MITI Linear Biodeg Probability) | | 1.4803
============+============================================+=========+=========
------+-----+--------------------------------------------+---------+---------
TYPE | NUM | Biowin6 FRAGMENT DESCRIPTION | COEFF | VALUE
------+-----+--------------------------------------------+---------+---------
Frag | 4 | Aromatic acid [-C(=O)-OH] | 2.4449 | 9.7797
Frag | 2 | Aromatic-H | 0.1201 | 0.2403
MolWt| * | Molecular Weight Parameter | | -7.3371
============+============================================+=========+=========
RESULT |Biowin6 (MITI Non-Linear Biodeg Probability)| | 0.9946
============+============================================+=========+=========
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 | 4 | Aromatic acid [-C(=O)-OH] | 0.2656 | 1.0623
Frag | 2 | Aromatic-H | -0.0954 | -0.1909
Const| * | Equation Constant | | 0.8361
============+============================================+=========+=========
RESULT | Biowin7 (Anaerobic Linear Biodeg Prob) | | 1.7075
============+============================================+=========+=========
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.
Applicant's summary and conclusion
- Interpretation of results:
- readily biodegradable, but failing 10-day window
- Conclusions:
- Readily biodegradable, exceeding the 10-Day window validation criterion.
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