Registration Dossier
Registration Dossier
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EC number: 941-924-2 | CAS number: -
Biodegradation in water: screening tests
Administrative data
Link to relevant study record(s)
- Endpoint:
- biodegradation in water: screening tests
- Type of information:
- (Q)SAR
- Adequacy of study:
- supporting study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: The QSAR is well documented the test compound fits well within applicability domain and the QSAR is applied for a well defined endpoint
- Justification for type of information:
- QSAR prediction: migrated from IUCLID 5.6
- Principles of method if other than guideline:
- BioWin v4.10. Biowin runs 7 models: Biowin1 = linear probability model (Howard et al. (1992)); Biowin2 = nonlinear probability model (Howard et al. (1992)); Biowin3 = expert survey ultimate biodegradation model (Boethling et al. (1994)); Biowin4 = expert survey primary biodegradation model (Boethling et al. (1994)); Biowin5 = MITI linear model (Tunkel et al. (2000)); Biowin6 = MITI nonlinear model (Tunkel et al. (2000)) and Biowin7 = anaerobic biodegradation model (Meylan et al. (2007)). Howard, P.H., Boethling, R.S., Stiteler, W.M., Meylan, W.M., Hueber, A.E., Beauman, J.A., Larosche, M.E. 1992. Predictive model for aerobic biodegradability developed from a file of evaluated biodegradation data. Environ. Toxicol. Chem. 11:593-603. Boethling, R.S., Howard, P.H., Meylan, W., Stiteler, W., Beaumann, J., Tirado, N. 1994. Group contribution method for predicting probability and rate of aerobic biodegradation. Environ. Sci. Technol. 28:459-65. Tunkel, J., Howard, P.H., Boethling, R.S., Stiteler,W., Loonen, H. 2000. Predicting Ready Biodegradability in the Japanese Ministry of International Trade and Industry Test. Environ. Toxicol. Chem. 19:2478-2485. Meylan, W., Boethling, R.S., Aronson, D., Howard, P., Tunkel, J. 2007. Chemical structure-based predictive model for methanogenic anaerobic biodegradation potential. Environ. Toxicol. Chem. 26:1785-1792
- Details on study design:
- not applicable
- Interpretation of results:
- readily biodegradable
- Conclusions:
- Based on the outcome of the QSAR models, it can be concluded that the substance can be regarded as readily biodegradable.
- Endpoint:
- biodegradation in water: screening tests
- Type of information:
- (Q)SAR
- Adequacy of study:
- supporting study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: The QSAR is well documented the test compound fits well within applicability domain and the QSAR is applied for a well defined endpoint
- Justification for type of information:
- QSAR prediction: migrated from IUCLID 5.6
- Principles of method if other than guideline:
- BioWin v4.10. Biowin runs 7 models: Biowin1 = linear probability model (Howard et al. (1992)); Biowin2 = nonlinear probability model (Howard et al. (1992)); Biowin3 = expert survey ultimate biodegradation model (Boethling et al. (1994)); Biowin4 = expert survey primary biodegradation model (Boethling et al. (1994)); Biowin5 = MITI linear model (Tunkel et al. (2000)); Biowin6 = MITI nonlinear model (Tunkel et al. (2000)) and Biowin7 = anaerobic biodegradation model (Meylan et al. (2007)). Howard, P.H., Boethling, R.S., Stiteler, W.M., Meylan, W.M., Hueber, A.E., Beauman, J.A., Larosche, M.E. 1992. Predictive model for aerobic biodegradability developed from a file of evaluated biodegradation data. Environ. Toxicol. Chem. 11:593-603. Boethling, R.S., Howard, P.H., Meylan, W., Stiteler, W., Beaumann, J., Tirado, N. 1994. Group contribution method for predicting probability and rate of aerobic biodegradation. Environ. Sci. Technol. 28:459-65. Tunkel, J., Howard, P.H., Boethling, R.S., Stiteler,W., Loonen, H. 2000. Predicting Ready Biodegradability in the Japanese Ministry of International Trade and Industry Test. Environ. Toxicol. Chem. 19:2478-2485. Meylan, W., Boethling, R.S., Aronson, D., Howard, P., Tunkel, J. 2007. Chemical structure-based predictive model for methanogenic anaerobic biodegradation potential. Environ. Toxicol. Chem. 26:1785-1792
- Details on study design:
- not applicable
- Interpretation of results:
- readily biodegradable
- Conclusions:
- Based on the outcome of the QSAR models, it can be concluded that the substance can be regarded as readily biodegradable.
- Endpoint:
- biodegradation in water: screening tests
- Type of information:
- (Q)SAR
- Adequacy of study:
- supporting study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: The QSAR is well documented the test compound fits well within applicability domain and the QSAR is applied for a well defined endpoint
- Justification for type of information:
- QSAR prediction: migrated from IUCLID 5.6
- Principles of method if other than guideline:
- BioWin v4.10. Biowin runs 7 models: Biowin1 = linear probability model (Howard et al. (1992)); Biowin2 = nonlinear probability model (Howard et al. (1992)); Biowin3 = expert survey ultimate biodegradation model (Boethling et al. (1994)); Biowin4 = expert survey primary biodegradation model (Boethling et al. (1994)); Biowin5 = MITI linear model (Tunkel et al. (2000)); Biowin6 = MITI nonlinear model (Tunkel et al. (2000)) and Biowin7 = anaerobic biodegradation model (Meylan et al. (2007)). Howard, P.H., Boethling, R.S., Stiteler, W.M., Meylan, W.M., Hueber, A.E., Beauman, J.A., Larosche, M.E. 1992. Predictive model for aerobic biodegradability developed from a file of evaluated biodegradation data. Environ. Toxicol. Chem. 11:593-603. Boethling, R.S., Howard, P.H., Meylan, W., Stiteler, W., Beaumann, J., Tirado, N. 1994. Group contribution method for predicting probability and rate of aerobic biodegradation. Environ. Sci. Technol. 28:459-65. Tunkel, J., Howard, P.H., Boethling, R.S., Stiteler,W., Loonen, H. 2000. Predicting Ready Biodegradability in the Japanese Ministry of International Trade and Industry Test. Environ. Toxicol. Chem. 19:2478-2485. Meylan, W., Boethling, R.S., Aronson, D., Howard, P., Tunkel, J. 2007. Chemical structure-based predictive model for methanogenic anaerobic biodegradation potential. Environ. Toxicol. Chem. 26:1785-1792
- Details on study design:
- not applicable
- Interpretation of results:
- readily biodegradable
- Conclusions:
- Based on the outcome of the QSAR models, it can be concluded that the substance can be regarded as readily biodegradable.
- Endpoint:
- biodegradation in water: screening tests
- Type of information:
- (Q)SAR
- Adequacy of study:
- supporting study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: The QSAR is well documented the test compound fits well within applicability domain and the QSAR is applied for a well defined endpoint
- Justification for type of information:
- QSAR prediction: migrated from IUCLID 5.6
- Principles of method if other than guideline:
- BioWin v4.10. Biowin runs 7 models: Biowin1 = linear probability model (Howard et al. (1992)); Biowin2 = nonlinear probability model (Howard et al. (1992)); Biowin3 = expert survey ultimate biodegradation model (Boethling et al. (1994)); Biowin4 = expert survey primary biodegradation model (Boethling et al. (1994)); Biowin5 = MITI linear model (Tunkel et al. (2000)); Biowin6 = MITI nonlinear model (Tunkel et al. (2000)) and Biowin7 = anaerobic biodegradation model (Meylan et al. (2007)). Howard, P.H., Boethling, R.S., Stiteler, W.M., Meylan, W.M., Hueber, A.E., Beauman, J.A., Larosche, M.E. 1992. Predictive model for aerobic biodegradability developed from a file of evaluated biodegradation data. Environ. Toxicol. Chem. 11:593-603. Boethling, R.S., Howard, P.H., Meylan, W., Stiteler, W., Beaumann, J., Tirado, N. 1994. Group contribution method for predicting probability and rate of aerobic biodegradation. Environ. Sci. Technol. 28:459-65. Tunkel, J., Howard, P.H., Boethling, R.S., Stiteler,W., Loonen, H. 2000. Predicting Ready Biodegradability in the Japanese Ministry of International Trade and Industry Test. Environ. Toxicol. Chem. 19:2478-2485. Meylan, W., Boethling, R.S., Aronson, D., Howard, P., Tunkel, J. 2007. Chemical structure-based predictive model for methanogenic anaerobic biodegradation potential. Environ. Toxicol. Chem. 26:1785-1792
- Details on study design:
- not applicable
- Interpretation of results:
- readily biodegradable
- Conclusions:
- Based on the outcome of the QSAR models, it can be concluded that the substance can be regarded as readily biodegradable.
- Endpoint:
- biodegradation in water: screening tests
- Type of information:
- (Q)SAR
- Adequacy of study:
- supporting study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: The QSAR is well documented the test compound fits well within applicability domain and the QSAR is applied for a well defined endpoint
- Justification for type of information:
- QSAR prediction: migrated from IUCLID 5.6
- Principles of method if other than guideline:
- BioWin v4.10. Biowin runs 7 models: Biowin1 = linear probability model (Howard et al. (1992)); Biowin2 = nonlinear probability model (Howard et al. (1992)); Biowin3 = expert survey ultimate biodegradation model (Boethling et al. (1994)); Biowin4 = expert survey primary biodegradation model (Boethling et al. (1994)); Biowin5 = MITI linear model (Tunkel et al. (2000)); Biowin6 = MITI nonlinear model (Tunkel et al. (2000)) and Biowin7 = anaerobic biodegradation model (Meylan et al. (2007)). Howard, P.H., Boethling, R.S., Stiteler, W.M., Meylan, W.M., Hueber, A.E., Beauman, J.A., Larosche, M.E. 1992. Predictive model for aerobic biodegradability developed from a file of evaluated biodegradation data. Environ. Toxicol. Chem. 11:593-603. Boethling, R.S., Howard, P.H., Meylan, W., Stiteler, W., Beaumann, J., Tirado, N. 1994. Group contribution method for predicting probability and rate of aerobic biodegradation. Environ. Sci. Technol. 28:459-65. Tunkel, J., Howard, P.H., Boethling, R.S., Stiteler,W., Loonen, H. 2000. Predicting Ready Biodegradability in the Japanese Ministry of International Trade and Industry Test. Environ. Toxicol. Chem. 19:2478-2485. Meylan, W., Boethling, R.S., Aronson, D., Howard, P., Tunkel, J. 2007. Chemical structure-based predictive model for methanogenic anaerobic biodegradation potential. Environ. Toxicol. Chem. 26:1785-1792
- Details on study design:
- not applicable
- Interpretation of results:
- readily biodegradable
- Conclusions:
- Based on the outcome of the QSAR models, it can be concluded that the substance can be regarded as readily biodegradable.
- Endpoint:
- biodegradation in water: ready biodegradability
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 2013
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- study well documented, meets generally accepted scientific principles, acceptable for assessment
- Qualifier:
- equivalent or similar to guideline
- Guideline:
- OECD Guideline 301 B (Ready Biodegradability: CO2 Evolution Test)
- Deviations:
- yes
- Remarks:
- no toxicity test performed with inoculumn
- GLP compliance:
- no
- Remarks:
- The test was performed in accordance with the ISO/IEC 170125
- Oxygen conditions:
- aerobic
- Inoculum or test system:
- activated sludge, domestic, adapted
- Details on inoculum:
- The active sludge used as inoculum, was collected directly from oxidation tank of waste water treatment plant of Novara (Acqua Novara VCO Spa). The sludge was collected the day of start test, the ph was 7,65 and the concentration of total solids was 6 g/l. In laboratory was diluted with deionised water to a final concentration of 0,92g/l. The sludge was kept in aeration for about 5 hours before being inoculated it in the different reactors (100 ml of incoculum per 3000ml of total aqueous medium).
- Duration of test (contact time):
- 28 d
- Parameter followed for biodegradation estimation:
- CO2 evolution
- Details on study design:
- Apparatus
The apparatus used is the same described in OECD 301 B. The total volume of aqueous medium + inoculum was 3000ml in each reactor. The test is carried out at room temperature, the CO2 evolved is captured in Ba(OH)2 traps and measured by retro-titration of the residual barium hydroxide.
Test Set Up
A total of 6 reactors were used: 2 blanks, without test sample for the determination of the background respiration, 2 test samples with TMP-PA and 2 positive control with cellulose. The reactors were filled up to a total volume of 3000ml with deionised water with phosphate buffer and mineral salts, as described in OECD 301 B guideline, and 100 ml of the inoculum. - Reference substance:
- other: cellulose
- Parameter:
- % degradation (CO2 evolution)
- Value:
- 76
- St. dev.:
- 2.4
- Sampling time:
- 28 d
- Validity criteria fulfilled:
- yes
- Interpretation of results:
- readily biodegradable
- Conclusions:
- At the end of the test (after 28 days) the biodegradation of the TMP-PA was 75,98% and on the basis of the obtained result it can be declared “Readily Biodegradable”.
- Executive summary:
The determination of the biodegradation in a aqueous medium of the TMP-PA, was carried out according to test method OECD 301 B (modified sturm test), and had a duration of 28 days. The test was carried out at room temperature (23°C ±2) and in parallel was tested a positive control: cellulose microcrystalline Avicell®(Merck). The inoculum used was active, in fact the positive control reached an 82% of biodegradation. The biodegradation of the TMP-PA started immediately, while the cellulose showed a “lag” phase of about 3 days. The test exceeded the validity criteria reported in OECD 301 B. In according with the guideline, the test material TMP-PA can be stated “Ready Biodegradable” in fact it reached a biodegradation level of 60% within 28 days; more specifically it reached this level in a 10 days window starting from the 10% of biodegradation as described in OECD guideline for testing. At the end of the test (28 days) the average biodegradation of the TMP-PA was 75,98%
At the end of the test (after 28 days) the biodegradation of the TMP-PA was 75,98% and on the basis of the obtained result it can be declared “Ready Biodegradable”.
- Endpoint:
- biodegradation in water: ready biodegradability
- Type of information:
- read-across from supporting substance (structural analogue or surrogate)
- Adequacy of study:
- weight of evidence
- Study period:
- 2013
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- study well documented, meets generally accepted scientific principles, acceptable for assessment
- Justification for type of information:
- The source and the target substances share structural similarities with common functional groups, esters, and side chains varying in their lenght. Moreover, the side chains are chemically simple structures which have no structural alerts for toxicity and which are closely related to substances of known low toxicity. More details are reported in the document attached in the IUCLID Section 13.
- Reason / purpose for cross-reference:
- read-across source
- GLP compliance:
- no
- Parameter:
- % degradation (CO2 evolution)
- Value:
- >= 85.8
- St. dev.:
- 2.7
- Sampling time:
- 28 d
- Endpoint:
- biodegradation in water: ready biodegradability
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 2015
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- study well documented, meets generally accepted scientific principles, acceptable for assessment
- Qualifier:
- equivalent or similar to guideline
- Guideline:
- OECD Guideline 301 B (Ready Biodegradability: CO2 Evolution Test)
- Deviations:
- yes
- Remarks:
- no toxicity test performed with inoculumn
- GLP compliance:
- no
- Remarks:
- The test was performed in accordance with the ISO/IEC 170125
- Oxygen conditions:
- aerobic
- Inoculum or test system:
- activated sludge, domestic, adapted
- Details on inoculum:
- The active sludge used as inoculum, was collected directly from oxidation tank of waste water treatment plant of Novara (Acqua Novara VCO Spa). The sludge was collected the starting day of test, the ph was 7,65 and the concentration of total solids was 6 g/l. In laboratory was diluted with deionised water to a final concentration of 0,92g/l. The sludge was kept in aeration for about 5 hours before being inoculated in the different reactors (100 ml of incoculum per 3000ml of total aqueous medium).
- Duration of test (contact time):
- 28 d
- Initial conc.:
- ca. 40 mg/L
- Based on:
- ThCO2
- Parameter followed for biodegradation estimation:
- CO2 evolution
- Details on study design:
- Apparatus
The apparatus used is the same described in OECD 301 B. The total volume of aqueous medium + inoculum was 3000ml in each reactor. The test is carried out at room temperature, the CO2 evolved is captured in Ba(OH)2 traps and measured by retro-titration of the residual barium hydroxide.
Test Set Up
A total of 6 reactors were used: 2 blanks, without test sample for the determination of the background respiration, 2 test samples with TMP-C5-9 and 2 positive control with cellulose. The reactors were filled up to a total volume of 3000ml with deionised water with phosphate buffer and mineral salts, as described in OECD 301 B guideline, and 100 ml of the inoculum. - Reference substance:
- other: sodium acetate
- Parameter:
- % degradation (CO2 evolution)
- Value:
- 85.8
- St. dev.:
- 2.7
- Sampling time:
- 28 d
- Validity criteria fulfilled:
- yes
- Interpretation of results:
- readily biodegradable
- Conclusions:
- At the end of the test (after 28 days) the biodegradation of the target substance was 85.8% and on the basis of the overall obtained results it can be declared “Readily Biodegradable”.
- Executive summary:
The determination of the biodegradation in a aqueous medium of the TMP-C5 -9, was carried out according to test method OECD 301 B (modified sturm test), and had a duration of 28 days. The test was carried out at room temperature (23°C ±2) and in parallel was tested a positive control: sodium acetate. The inoculum used was active, in fact the positive control reached an 82% of biodegradation. The biodegradation of both the TMP-C5 -9 and the positive control started immediately. The test exceeded the validity criteria reported in OECD 301 B. In according with the guideline, the test material TMP-C5 -9 can be stated “Ready Biodegradable” in fact it reached a biodegradation level of 60% within 28 days; more specifically it reached this level in a 10 days window starting from the 10% of biodegradation as described in OECD guideline for testing. At the end of the test (28 days) the average biodegradation of the TMP-C5 -9 was 85.8%
At the end of the test (after 28 days) the biodegradation of the TMP-C5 -9 was 85.8 % and on the basis of the obtained result it can be declared “Ready Biodegradable”.
Referenceopen allclose all
All functional groups and fragments of TMP Fatty acids C5 -9 are present in the training set, so this substance falls within the applicability domain of the QSAR.
--------------------------- 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): Hours-Days
Biowin5 (MITI Linear Model Prediction): Readily Degradable
Biowin6 (MITI Non-Linear Model Prediction): Readily Degradable
Biowin7 (Anaerobic Model Prediction): Does Not Biodegrade Fast
Ready Biodegradability Prediction: YES
TYPE |
NUM |
Biowin1 FRAGMENT DESCRIPTION |
COEFF |
VALUE |
Frag |
3 |
Linear C4 terminal chain [CCC-CH3] |
0.1084 |
0.3253 |
Frag |
3 |
Ester [-C(=O)-O-C] |
0.1742 |
0.5225 |
Frag |
1 |
Carbon with 4 single bonds & no hydrogens |
-0.1839 |
-0.1839 |
MolWt |
* |
Molecular Weight Parameter |
|
-0.2174 |
Const |
* |
Equation Constant |
|
0.7475 |
RESULT |
|
Biowin1 (Linear Biodeg Probability) |
|
1.1940 |
TYPE |
NUM |
Biowin2 FRAGMENT DESCRIPTION |
COEFF |
VALUE |
Frag |
3 |
Linear C4 terminal chain [CCC-CH3] |
1.8437 |
5.5311 |
Frag |
3 |
Ester [-C(=O)-O-C] |
4.0795 |
12.2385 |
Frag |
1 |
Carbon with 4 single bonds & no hydrogens |
-1.7232 |
-1.7232 |
MolWt |
* |
Molecular Weight Parameter |
|
-6.4847 |
RESULT |
|
Biowin2 (Non-Linear Biodeg Probability) |
|
1.0000 |
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 |
3 |
Linear C4 terminal chain [CCC-CH3] |
0.2983 |
0.8950 |
Frag |
3 |
Ester [-C(=O)-O-C] |
0.1402 |
0.4206 |
Frag |
1 |
Carbon with 4 single bonds & no hydrogens |
-0.2121 |
-0.2121 |
MolWt |
* |
Molecular Weight Parameter |
|
-1.0092 |
Const |
* |
Equation Constant |
|
3.1992 |
RESULT |
|
Biowin3 (Survey Model - Ultimate Biodeg) |
|
3.2935 |
TYPE |
NUM |
Biowin4 FRAGMENT DESCRIPTION |
COEFF |
VALUE |
Frag |
3 |
Linear C4 terminal chain [CCC-CH3] |
0.2691 |
0.8072 |
Frag |
3 |
Ester [-C(=O)-O-C] |
0.2290 |
0.6869 |
Frag |
1 |
Carbon with 4 single bonds & no hydrogens |
-0.1534 |
-0.1534 |
MolWt |
* |
Molecular Weight Parameter |
|
-0.6589 |
Const |
* |
Equation Constant |
|
3.8477 |
RESULT |
|
Biowin4 (Survey Model - Primary Biodeg) |
|
4.5295 |
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 |
Ester [-C(=O)-O-C] |
0.3437 |
1.0312 |
Frag |
1 |
Carbon with 4 single bonds & no hydrogens |
0.0676 |
0.0676 |
Frag |
4 |
Methyl [-CH3] |
0.0004 |
0.0016 |
Frag |
18 |
-CH2- [linear] |
0.0494 |
1.2354 |
MolWt |
* |
Molecular Weight Parameter |
|
-0.8895 |
Const |
* |
Equation Constant |
|
0.7121 |
RESULT |
|
Biowin5 (MITI Linear Biodeg Probability) |
|
1.3435 |
TYPE |
NUM |
Biowin6 FRAGMENT DESCRIPTION |
COEFF |
VALUE |
Frag |
3 |
Ester [-C(=O)-O-C] |
2.4462 |
7.3385 |
Frag |
1 |
Carbon with 4 single bonds & no hydrogens |
0.3990 |
0.3990 |
Frag |
4 |
Methyl [-CH3] |
0.0194 |
0.0777 |
Frag |
18 |
-CH2- [linear] |
0.4295 |
7.7309 |
MolWt |
* |
Molecular Weight Parameter |
|
-13.1835 |
RESULT |
|
Biowin6 (MITI Non-Linear Biodeg Probability) |
|
0.9925 |
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 |
3 |
Linear C4 terminal chain [CCC-CH3] |
-0.3177 |
-0.9532 |
Frag |
3 |
Ester [-C(=O)-O-C] |
0.1719 |
0.5156 |
Frag |
1 |
Carbon with 4 single bonds & no hydrogens |
-0.3342 |
-0.3342 |
Frag |
4 |
Methyl [-CH3] |
-0.0796 |
-0.3183 |
Frag |
18 |
-CH2- [linear] |
0.0260 |
0.4678 |
Const |
* |
Equation Constant |
|
0.8361 |
RESULT |
|
Biowin7 (Anaerobic Linear Biodeg Prob) |
|
0.2138 |
A Probability Greater Than or Equal to 0.5 indicates --> Biodegrades Fast
A Probability Less Than 0.5 indicates --> Does NOT Biodegrade Fast
All functional groups and fragments of TMP Fatty acids C5 -9 are present in the training set, so this substance falls within the applicability domain of the QSAR.
--------------------------- 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): Hours-Days
Biowin5 (MITI Linear Model Prediction): Readily Degradable
Biowin6 (MITI Non-Linear Model Prediction): Readily Degradable
Biowin7 (Anaerobic Model Prediction): Does Not Biodegrade Fast
Ready Biodegradability Prediction: YES
TYPE |
NUM |
Biowin1 FRAGMENT DESCRIPTION |
COEFF |
VALUE |
Frag |
3 |
Linear C4 terminal chain [CCC-CH3] |
0.1084 |
0.3253 |
Frag |
3 |
Ester [-C(=O)-O-C] |
0.1742 |
0.5225 |
Frag |
1 |
Carbon with 4 single bonds & no hydrogens |
-0.1839 |
-0.1839 |
MolWt |
* |
Molecular Weight Parameter |
|
-0.2241 |
Const |
* |
Equation Constant |
|
0.7475 |
RESULT |
|
Biowin1 (Linear Biodeg Probability) |
|
1.1874 |
TYPE |
NUM |
Biowin2 FRAGMENT DESCRIPTION |
COEFF |
VALUE |
Frag |
3 |
Linear C4 terminal chain [CCC-CH3] |
1.8437 |
5.5311 |
Frag |
3 |
Ester [-C(=O)-O-C] |
4.0795 |
12.2385 |
Frag |
1 |
Carbon with 4 single bonds & no hydrogens |
-1.7232 |
-1.7232 |
MolWt |
* |
Molecular Weight Parameter |
|
-6.6839 |
RESULT |
|
Biowin2 (Non-Linear Biodeg Probability) |
|
1.0000 |
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 |
3 |
Linear C4 terminal chain [CCC-CH3] |
0.2983 |
0.8950 |
Frag |
3 |
Ester [-C(=O)-O-C] |
0.1402 |
0.4206 |
Frag |
1 |
Carbon with 4 single bonds & no hydrogens |
-0.2121 |
-0.2121 |
MolWt |
* |
Molecular Weight Parameter |
|
-1.0402 |
Const |
* |
Equation Constant |
|
3.1992 |
RESULT |
|
Biowin3 (Survey Model - Ultimate Biodeg) |
|
3.2625 |
TYPE |
NUM |
Biowin4 FRAGMENT DESCRIPTION |
COEFF |
VALUE |
Frag |
3 |
Linear C4 terminal chain [CCC-CH3] |
0.2691 |
0.8072 |
Frag |
3 |
Ester [-C(=O)-O-C] |
0.2290 |
0.6869 |
Frag |
1 |
Carbon with 4 single bonds & no hydrogens |
-0.1534 |
-0.1534 |
MolWt |
* |
Molecular Weight Parameter |
|
-0.6791 |
Const |
* |
Equation Constant |
|
3.8477 |
RESULT |
|
Biowin4 (Survey Model - Primary Biodeg) |
|
4.5093 |
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 |
Ester [-C(=O)-O-C] |
0.3437 |
1.0312 |
Frag |
1 |
Carbon with 4 single bonds & no hydrogens |
0.0676 |
0.0676 |
Frag |
4 |
Methyl [-CH3] |
0.0004 |
0.0016 |
Frag |
19 |
-CH2- [linear] |
0.0494 |
0.9389 |
MolWt |
* |
Molecular Weight Parameter |
|
-1.4003 |
Const |
* |
Equation Constant |
|
0.7121 |
RESULT |
|
Biowin5 (MITI Linear Biodeg Probability) |
|
1.3512 |
TYPE |
NUM |
Biowin6 FRAGMENT DESCRIPTION |
COEFF |
VALUE |
Frag |
3 |
Ester [-C(=O)-O-C] |
2.4462 |
7.3385 |
Frag |
1 |
Carbon with 4 single bonds & no hydrogens |
0.3990 |
0.3990 |
Frag |
4 |
Methyl [-CH3] |
0.0194 |
0.0777 |
Frag |
19 |
-CH2- [linear] |
0.4295 |
8.1604 |
MolWt |
* |
Molecular Weight Parameter |
|
-13.5884 |
RESULT |
|
Biowin6 (MITI Non-Linear Biodeg Probability) |
|
0.9927 |
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 |
3 |
Linear C4 terminal chain [CCC-CH3] |
-0.3177 |
-0.9532 |
Frag |
3 |
Ester [-C(=O)-O-C] |
0.1719 |
0.5156 |
Frag |
1 |
Carbon with 4 single bonds & no hydrogens |
-0.3342 |
-0.3342 |
Frag |
4 |
Methyl [-CH3] |
-0.0796 |
-0.3183 |
Frag |
19 |
-CH2- [linear] |
0.0260 |
0.4938 |
Const |
* |
Equation Constant |
|
0.8361 |
RESULT |
|
Biowin7 (Anaerobic Linear Biodeg Prob) |
|
0.2397 |
A Probability Greater Than or Equal to 0.5 indicates --> Biodegrades Fast
A Probability Less Than 0.5 indicates --> Does NOT Biodegrade Fast
All functional groups and fragments of TMP Fatty acids C5 -9 are present in the training set, so this substance falls within the applicability domain of the QSAR.
--------------------------- 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): Hours-Days
Biowin5 (MITI Linear Model Prediction): Readily Degradable
Biowin6 (MITI Non-Linear Model Prediction): Readily Degradable
Biowin7 (Anaerobic Model Prediction): Does Not Biodegrade Fast
Ready Biodegradability Prediction: YES
TYPE |
NUM |
Biowin1 FRAGMENT DESCRIPTION |
COEFF |
VALUE |
Frag |
3 |
Linear C4 terminal chain [CCC-CH3] |
0.1084 |
0.3253 |
Frag |
3 |
Ester [-C(=O)-O-C] |
0.1742 |
0.5225 |
Frag |
1 |
Carbon with 4 single bonds & no hydrogens |
-0.1839 |
-0.1839 |
MolWt |
* |
Molecular Weight Parameter |
|
-0.2308 |
Const |
* |
Equation Constant |
|
0.7475 |
RESULT |
|
Biowin1 (Linear Biodeg Probability) |
|
1.1807 |
TYPE |
NUM |
Biowin2 FRAGMENT DESCRIPTION |
COEFF |
VALUE |
Frag |
3 |
Linear C4 terminal chain [CCC-CH3] |
1.8437 |
5.5311 |
Frag |
3 |
Ester [-C(=O)-O-C] |
4.0795 |
12.2385 |
Frag |
1 |
Carbon with 4 single bonds & no hydrogens |
-1.7232 |
-1.7232 |
MolWt |
* |
Molecular Weight Parameter |
|
-6.8831 |
RESULT |
|
Biowin2 (Non-Linear Biodeg Probability) |
|
1.0000 |
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 |
3 |
Linear C4 terminal chain [CCC-CH3] |
0.2983 |
0.8950 |
Frag |
3 |
Ester [-C(=O)-O-C] |
0.1402 |
0.4206 |
Frag |
1 |
Carbon with 4 single bonds & no hydrogens |
-0.2121 |
-0.2121 |
MolWt |
* |
Molecular Weight Parameter |
|
-1.0712 |
Const |
* |
Equation Constant |
|
3.1992 |
RESULT |
|
Biowin3 (Survey Model - Ultimate Biodeg) |
|
3.2315 |
TYPE |
NUM |
Biowin4 FRAGMENT DESCRIPTION |
COEFF |
VALUE |
Frag |
3 |
Linear C4 terminal chain [CCC-CH3] |
0.2691 |
0.8072 |
Frag |
3 |
Ester [-C(=O)-O-C] |
0.2290 |
0.6869 |
Frag |
1 |
Carbon with 4 single bonds & no hydrogens |
-0.1534 |
-0.1534 |
MolWt |
* |
Molecular Weight Parameter |
|
-0.6993 |
Const |
* |
Equation Constant |
|
3.8477 |
RESULT |
|
Biowin4 (Survey Model - Primary Biodeg) |
|
4.4890 |
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 |
Ester [-C(=O)-O-C] |
0.3437 |
1.0312 |
Frag |
1 |
Carbon with 4 single bonds & no hydrogens |
0.0676 |
0.0676 |
Frag |
4 |
Methyl [-CH3] |
0.0004 |
0.0016 |
Frag |
20 |
-CH2- [linear] |
0.0494 |
0.9883 |
MolWt |
* |
Molecular Weight Parameter |
|
-1.4421 |
Const |
* |
Equation Constant |
|
0.7121 |
RESULT |
|
Biowin5 (MITI Linear Biodeg Probability) |
|
1.3589 |
TYPE |
NUM |
Biowin6 FRAGMENT DESCRIPTION |
COEFF |
VALUE |
Frag |
3 |
Ester [-C(=O)-O-C] |
2.4462 |
7.3385 |
Frag |
1 |
Carbon with 4 single bonds & no hydrogens |
0.3990 |
0.3990 |
Frag |
4 |
Methyl [-CH3] |
0.0194 |
0.0777 |
Frag |
20 |
-CH2- [linear] |
0.4295 |
8.5899 |
MolWt |
* |
Molecular Weight Parameter |
|
-13.9934 |
RESULT |
|
Biowin6 (MITI Non-Linear Biodeg Probability) |
|
0.9929 |
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 |
3 |
Linear C4 terminal chain [CCC-CH3] |
-0.3177 |
-0.9532 |
Frag |
3 |
Ester [-C(=O)-O-C] |
0.1719 |
0.5156 |
Frag |
1 |
Carbon with 4 single bonds & no hydrogens |
-0.3342 |
-0.3342 |
Frag |
4 |
Methyl [-CH3] |
-0.0796 |
-0.3183 |
Frag |
20 |
-CH2- [linear] |
0.0260 |
0.5198 |
Const |
* |
Equation Constant |
|
0.8361 |
RESULT |
|
Biowin7 (Anaerobic Linear Biodeg Prob) |
|
0.2657 |
A Probability Greater Than or Equal to 0.5 indicates --> Biodegrades Fast
A Probability Less Than 0.5 indicates --> Does NOT Biodegrade Fast
All functional groups and fragments of TMP Fatty Acids C5 -9 are present in the training set, so this substance falls within the applicability domain of the QSAR.
--------------------------- 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): Hours-Days
Biowin5 (MITI Linear Model Prediction): Readily Degradable
Biowin6 (MITI Non-Linear Model Prediction): Readily Degradable
Biowin7 (Anaerobic Model Prediction): Does Not Biodegrade Fast
Ready Biodegradability Prediction: YES
TYPE |
NUM |
Biowin1 FRAGMENT DESCRIPTION |
COEFF |
VALUE |
Frag |
3 |
Linear C4 terminal chain [CCC-CH3] |
0.1084 |
0.3253 |
Frag |
3 |
Ester [-C(=O)-O-C] |
0.1742 |
0.5225 |
Frag |
1 |
Carbon with 4 single bonds & no hydrogens |
-0.1839 |
-0.1839 |
MolWt |
* |
Molecular Weight Parameter |
|
-0.2374 |
Const |
* |
Equation Constant |
|
0.7475 |
RESULT |
|
Biowin1 (Linear Biodeg Probability) |
|
1.1740 |
TYPE |
NUM |
Biowin2 FRAGMENT DESCRIPTION |
COEFF |
VALUE |
Frag |
3 |
Linear C4 terminal chain [CCC-CH3] |
1.8437 |
5.5311 |
Frag |
3 |
Ester [-C(=O)-O-C] |
4.0795 |
12.2385 |
Frag |
1 |
Carbon with 4 single bonds & no hydrogens |
-1.7232 |
-1.7232 |
MolWt |
* |
Molecular Weight Parameter |
|
-7.0823 |
RESULT |
|
Biowin2 (Non-Linear Biodeg Probability) |
|
1.0000 |
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 |
3 |
Linear C4 terminal chain [CCC-CH3] |
0.2983 |
0.8950 |
Frag |
3 |
Ester [-C(=O)-O-C] |
0.1402 |
0.4206 |
Frag |
1 |
Carbon with 4 single bonds & no hydrogens |
-0.2121 |
-0.2121 |
MolWt |
* |
Molecular Weight Parameter |
|
-1.1022 |
Const |
* |
Equation Constant |
|
3.1992 |
RESULT |
|
Biowin3 (Survey Model - Ultimate Biodeg) |
|
3.2005 |
TYPE |
NUM |
Biowin4 FRAGMENT DESCRIPTION |
COEFF |
VALUE |
Frag |
3 |
Linear C4 terminal chain [CCC-CH3] |
0.2691 |
0.8072 |
Frag |
3 |
Ester [-C(=O)-O-C] |
0.2290 |
0.6869 |
Frag |
1 |
Carbon with 4 single bonds & no hydrogens |
-0.1534 |
-0.1534 |
MolWt |
* |
Molecular Weight Parameter |
|
-0.7196 |
Const |
* |
Equation Constant |
|
3.8477 |
RESULT |
|
Biowin4 (Survey Model - Primary Biodeg) |
|
4.4688 |
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 |
Ester [-C(=O)-O-C] |
0.3437 |
1.0312 |
Frag |
1 |
Carbon with 4 single bonds & no hydrogens |
0.0676 |
0.0676 |
Frag |
4 |
Methyl [-CH3] |
0.0004 |
0.0016 |
Frag |
21 |
-CH2- [linear] |
0.0494 |
1.0377 |
MolWt |
* |
Molecular Weight Parameter |
|
-1.4838 |
Const |
* |
Equation Constant |
|
0.7121 |
RESULT |
|
Biowin5 (MITI Linear Biodeg Probability) |
|
1.3666 |
TYPE |
NUM |
Biowin6 FRAGMENT DESCRIPTION |
COEFF |
VALUE |
Frag |
3 |
Ester [-C(=O)-O-C] |
2.4462 |
7.3385 |
Frag |
1 |
Carbon with 4 single bonds & no hydrogens |
0.3990 |
0.3990 |
Frag |
4 |
Methyl [-CH3] |
0.0194 |
0.0777 |
Frag |
21 |
-CH2- [linear] |
0.4295 |
9.0194 |
MolWt |
* |
Molecular Weight Parameter |
|
-14.3983 |
RESULT |
|
Biowin6 (MITI Non-Linear Biodeg Probability) |
|
0.9930 |
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 |
3 |
Linear C4 terminal chain [CCC-CH3] |
-0.3177 |
-0.9532 |
Frag |
3 |
Ester [-C(=O)-O-C] |
0.1719 |
0.5156 |
Frag |
1 |
Carbon with 4 single bonds & no hydrogens |
-0.3342 |
-0.3342 |
Frag |
4 |
Methyl [-CH3] |
-0.0796 |
-0.3183 |
Frag |
21 |
-CH2- [linear] |
0.0260 |
0.5458 |
Const |
* |
Equation Constant |
|
0.8361 |
RESULT |
|
Biowin7 (Anaerobic Linear Biodeg Prob) |
|
0.2917 |
A Probability Greater Than or Equal to 0.5 indicates --> Biodegrades Fast
A Probability Less Than 0.5 indicates --> Does NOT Biodegrade Fast
All functional groups and fragments of TMP Fatty Acids C5 -9 are present in the training set, so this substance falls within the applicability domain of the QSAR.
--------------------------- 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): Hours-Days
Biowin5 (MITI Linear Model Prediction): Readily Degradable
Biowin6 (MITI Non-Linear Model Prediction): Readily Degradable
Biowin7 (Anaerobic Model Prediction): Does Not Biodegrade Fast
Ready Biodegradability Prediction: YES
TYPE |
NUM |
Biowin1 FRAGMENT DESCRIPTION |
COEFF |
VALUE |
Frag |
3 |
Linear C4 terminal chain [CCC-CH3] |
0.1084 |
0.3253 |
Frag |
3 |
Ester [-C(=O)-O-C] |
0.1742 |
0.5225 |
Frag |
1 |
Carbon with 4 single bonds & no hydrogens |
-0.1839 |
-0.1839 |
MolWt |
* |
Molecular Weight Parameter |
|
-0.2441 |
Const |
* |
Equation Constant |
|
0.7475 |
RESULT |
|
Biowin1 (Linear Biodeg Probability) |
|
1.1673 |
TYPE |
NUM |
Biowin2 FRAGMENT DESCRIPTION |
COEFF |
VALUE |
Frag |
3 |
Linear C4 terminal chain [CCC-CH3] |
1.8437 |
5.5311 |
Frag |
3 |
Ester [-C(=O)-O-C] |
4.0795 |
12.2385 |
Frag |
1 |
Carbon with 4 single bonds & no hydrogens |
-1.7232 |
-1.7232 |
MolWt |
* |
Molecular Weight Parameter |
|
-7.2814 |
RESULT |
|
Biowin2 (Non-Linear Biodeg Probability) |
|
1.0000 |
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 |
3 |
Linear C4 terminal chain [CCC-CH3] |
0.2983 |
0.8950 |
Frag |
3 |
Ester [-C(=O)-O-C] |
0.1402 |
0.4206 |
Frag |
1 |
Carbon with 4 single bonds & no hydrogens |
-0.2121 |
-0.2121 |
MolWt |
* |
Molecular Weight Parameter |
|
-1.1332 |
Const |
* |
Equation Constant |
|
3.1992 |
RESULT |
|
Biowin3 (Survey Model - Ultimate Biodeg) |
|
3.1695 |
TYPE |
NUM |
Biowin4 FRAGMENT DESCRIPTION |
COEFF |
VALUE |
Frag |
3 |
Linear C4 terminal chain [CCC-CH3] |
0.2681 |
0.8072 |
Frag |
3 |
Ester [-C(=O)-O-C] |
0.2290 |
0.6869 |
Frag |
1 |
Carbon with 4 single bonds & no hydrogens |
-0.1534 |
-0.1534 |
MolWt |
* |
Molecular Weight Parameter |
|
-0.7398 |
Const |
* |
Equation Constant |
|
3.8477 |
RESULT |
|
Biowin4 (Survey Model - Primary Biodeg) |
|
4.4486 |
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 |
Ester [-C(=O)-O-C] |
0.3437 |
1.0312 |
Frag |
1 |
Carbon with 4 single bonds & no hydrogens |
0.0676 |
0.0676 |
Frag |
4 |
Methyl [-CH3] |
0.0004 |
0.0016 |
Frag |
22 |
-CH2- [linear] |
0.0494 |
1.0872 |
MolWt |
* |
Molecular Weight Parameter |
|
-1.5255 |
Const |
* |
Equation Constant |
|
0.7121 |
RESULT |
|
Biowin5 (MITI Linear Biodeg Probability) |
|
1.3742 |
TYPE |
NUM |
Biowin6 FRAGMENT DESCRIPTION |
COEFF |
VALUE |
Frag |
3 |
Ester [-C(=O)-O-C] |
2.4462 |
7.3385 |
Frag |
1 |
Carbon with 4 single bonds & no hydrogens |
0.3990 |
0.3990 |
Frag |
4 |
Methyl [-CH3] |
0.0194 |
0.0777 |
Frag |
22 |
-CH2- [linear] |
0.4295 |
9.4489 |
MolWt |
* |
Molecular Weight Parameter |
|
-14.8032 |
RESULT |
|
Biowin6 (MITI Non-Linear Biodeg Probability) |
|
0.9932 |
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 |
3 |
Linear C4 terminal chain [CCC-CH3] |
-0.3177 |
-0.9532 |
Frag |
3 |
Ester [-C(=O)-O-C] |
0.1719 |
0.5156 |
Frag |
1 |
Carbon with 4 single bonds & no hydrogens |
-0.3342 |
-0.3342 |
Frag |
4 |
Methyl [-CH3] |
-0.0796 |
-0.3183 |
Frag |
22 |
-CH2- [linear] |
0.0260 |
0.5718 |
Const |
* |
Equation Constant |
|
0.8361 |
RESULT |
|
Biowin7 (Anaerobic Linear Biodeg Prob) |
|
0.3177 |
A Probability Greater Than or Equal to 0.5 indicates --> Biodegrades Fast
A Probability Less Than 0.5 indicates --> Does NOT Biodegrade Fast
CO2cumulative production (mg)
Time |
T3/17 |
T3/18 |
T3/21 |
T3/22 |
T3/23 |
T3/24 |
Days |
Blank |
Blank |
TMP-PA |
TMP-PA |
Cellulose |
Cellulose |
0,00 |
0,00 |
0,00 |
0,00 |
0,00 |
0,00 |
0,00 |
3,00 |
4,02 |
4,02 |
28,05 |
42,24 |
0,61 |
12,93 |
3,50 |
6,88 |
6,49 |
47,58 |
70,95 |
2,20 |
25,03 |
4,00 |
11,06 |
10,78 |
86,41 |
119,41 |
8,31 |
57,97 |
5,00 |
13,37 |
13,64 |
137,34 |
174,46 |
38,83 |
95,54 |
6,00 |
15,40 |
17,82 |
187,17 |
221,82 |
79,31 |
129,86 |
7,00 |
19,75 |
25,14 |
235,13 |
267,30 |
115,61 |
158,62 |
10,00 |
24,42 |
31,63 |
282,10 |
322,19 |
150,70 |
190,69 |
11,00 |
27,17 |
36,03 |
305,64 |
359,65 |
168,25 |
207,68 |
13,00 |
29,76 |
40,92 |
324,61 |
391,00 |
181,12 |
224,29 |
14,00 |
31,02 |
44,11 |
336,82 |
420,97 |
187,11 |
232,16 |
18,00 |
34,71 |
49,67 |
371,80 |
463,21 |
199,10 |
247,50 |
20,00 |
37,29 |
52,20 |
388,58 |
482,85 |
205,87 |
254,82 |
25,00 |
40,59 |
54,84 |
402,88 |
504,63 |
214,50 |
265,38 |
28,00 |
42,73 |
57,20 |
411,62 |
517,77 |
222,09 |
270,87 |
Biodegradation values (%)
Time |
%Biod. |
%Biod. |
%Biod. |
%Biod. |
Days |
TMP-PA |
TMP-PA |
Cellulose |
Cellulose |
0,00 |
0,00 |
0,00 |
0,00 |
0,00 |
3,00 |
5,16 |
6,07 |
-1,43 |
3,71 |
3,50 |
8,78 |
10,21 |
-1,88 |
7,63 |
4,00 |
16,21 |
17,23 |
-1,09 |
19,57 |
5,00 |
26,60 |
25,56 |
10,61 |
34,12 |
6,00 |
36,63 |
32,59 |
26,27 |
47,10 |
7,00 |
45,68 |
38,88 |
39,04 |
56,64 |
10,00 |
54,57 |
46,72 |
51,40 |
67,66 |
11,00 |
58,86 |
52,10 |
57,25 |
73,24 |
13,00 |
62,13 |
56,48 |
61,08 |
78,59 |
14,00 |
64,28 |
60,89 |
62,66 |
80,94 |
18,00 |
70,80 |
66,86 |
65,75 |
85,40 |
20,00 |
73,85 |
69,57 |
67,51 |
87,38 |
25,00 |
76,28 |
72,56 |
69,88 |
90,53 |
28,00 |
77,68 |
74,29 |
72,12 |
91,88 |
TABLE 5.Biodegradation average values after 28 days of test
Test item |
Biodegradation (%) |
Relative Biodegradation (%) |
TMP-PA |
75,98 (±2,40) |
92,66 |
Cellulose |
82,00 (±13,97) |
100 |
Table 4: Biodegradation values (%)
days |
TARGET Substance lot n° ALTMP012015DF |
TARGET Substance lot n° ALTMP012015DF |
Reference 1 CH3COONa |
Reference 2 CH3COONa |
0 |
0 |
0 |
0 |
0 |
3 |
2,60 |
2,71 |
28,79 |
24,69 |
4 |
9,97 |
9,31 |
45,84 |
40,94 |
5 |
18,04 |
17,01 |
55,19 |
50,31 |
6 |
27,84 |
25,66 |
61,11 |
55,53 |
7 |
37,04 |
33,17 |
64,30 |
59,19 |
10 |
52,41 |
46,76 |
71,42 |
65,36 |
12 |
64,89 |
57,21 |
75,62 |
69,69 |
14 |
72,44 |
64,87 |
77,13 |
72,94 |
17 |
78,41 |
71,25 |
78,33 |
77,43 |
19 |
81,54 |
75,40 |
79,26 |
80,41 |
21 |
83,76 |
78,82 |
79,99 |
83,17 |
24 |
85,85 |
80,98 |
81,83 |
85,70 |
28 |
88,52 |
83,03 |
82,91 |
88,53 |
34 |
92,24 |
85,16 |
84,06 |
91,69 |
42 |
96,88 |
86,62 |
84,53 |
94,94 |
TABLE 5.Biodegradation average values after 28 days of test
est item |
Biodegradation (%) |
Relative Biodegradation (%) |
TARGET SUBSTANCE |
85.8 (±2.72) |
100 |
Sodium Acetate |
85.7 (±2.8) |
100 |
Description of key information
The substance can be regarded as readily biodegradable based on the outcome of the OECD 301B study by Tosin (2015).
Key value for chemical safety assessment
- Biodegradation in water:
- readily biodegradable
Additional information
The biodegradation was assessed in one experimental key study (Tosin, 2015). This is a well documented study that was carried out according to the OECD guideline 301B. At the end of the test (after 28 days) the biodegradation of the test substance TMP-Fatty acids C5 -9 was ...%. As weight of evidence another study (again according OECD 301B) carried out on the analogue TMP-Pelargonate was included and in this case the % biodegradation after 28 days was of 77%. Also the QSAR supporting studies, carried out on all the constituents of this UVCB substance having a percentage in the product higher than 10% by weight, suggest that the substance is readily biodegradable. Thus on the basis of the obtained results, the UVCB substance TMP Fatty Acids C5 -9 can be declared “Readily Biodegradable”.
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