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Environmental fate & pathways

Biodegradation in water: screening tests

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Endpoint:
biodegradation in water: ready biodegradability
Type of information:
experimental study
Adequacy of study:
key study
Study period:
11 January 2018 to 01 March 2018
Reliability:
1 (reliable without restriction)
Justification for type of information:
Reliable experimental study following OECD 301 guidelines (1992) and EC No. 440/2008 Method C.4-C adopted 2008 and GLP standards.
Qualifier:
according to
Guideline:
OECD Guideline 301 B (Ready Biodegradability: CO2 Evolution Test)
Version / remarks:
1992
Deviations:
no
Qualifier:
according to
Guideline:
EU Method C.4-C (Determination of the "Ready" Biodegradability - Carbon Dioxide Evolution Test)
Version / remarks:
92/69/EEC Annex V
Deviations:
no
GLP compliance:
yes (incl. certificate)
Specific details on test material used for the study:
The test substance is listed as Pentamid™ KH (Methyl N-octadecylterephthalamate). The test substance consists of a solid (100% purity) and was obtained from the Sponsor, Vertellus Holdings LLC and stored at ambient conditions.
Oxygen conditions:
aerobic
Inoculum or test system:
activated sludge, domestic (adaptation not specified)
Details on inoculum:
Activated sludge was collected from the Easton Wastewater Treatment Facility, Easton, Maryland on January 08, 2018. The Easton facility treats predominantly residential wastes. The sludge was sieved using a 2-mm screen, adjusted to approximately 1,000 mg total suspended solids/L with mineral media and then aerated at 20 ± 3˚C for approximately 48 hours.
Duration of test (contact time):
46 d
Initial conc.:
13.3 mg/L
Based on:
test mat.
Initial conc.:
10 mg/L
Based on:
TOC
Parameter followed for biodegradation estimation:
CO2 evolution
Reference substance:
benzoic acid, sodium salt
Key result
Parameter:
% degradation (CO2 evolution)
Value:
21.8
Sampling time:
28 d
Parameter:
% degradation (CO2 evolution)
Value:
25.6
Sampling time:
46 d
Results with reference substance:
The viability of the inoculum and validity of the test were supported by the results of the reference substance, sodium benzoate, from which an average of 110.3% of theoretical CO2 was evolved over the test period. An average percent biodegradation of greater than 60% was achieved by Day 6, thereby fulfilling the criteria for a valid test by reaching the pass level by Day 14 for the reference substance .
Validity criteria fulfilled:
yes
Remarks:
IC content <5% (protocol ≤ 5%); CO2 emitted by controls <40 mgC/L (protocol <70 mg/L); difference replicates 4.4% (protocol ≤20 %); degradation positive control >60% at 6 d (protocol ≤14 d); degradation toxicity d 6, >25% (protocol ≥25%).
Interpretation of results:
not readily biodegradable
Conclusions:
The test substance is considered as “not readily biodegradable”. The test substance reached 21.8% degradtion in 28 d and 25.6% biodegradation after 46 d. These results are indicative that teh substance exhibits inherent, primary degradability.
Endpoint:
biodegradation in water: ready biodegradability
Type of information:
(Q)SAR
Remarks:
BIOWINv4.10
Adequacy of study:
supporting study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
results derived from a valid (Q)SAR model and falling into its applicability domain, with adequate and reliable documentation / justification
Justification for type of information:
Modeling report of BIOWIN v4.10, a model contained within EPI-Suite version 4.11, a reliable QSAR model.
Qualifier:
no guideline followed
Principles of method if other than guideline:
BIOWIN v4.10 a model with U.S. EPA's EPI-Suite, a reliable QSAR model included in the OECD QSAR Toolbox.
GLP compliance:
no
Remarks:
not applicable

BIOWIN (v4.10) Program Results:

==============================

SMILES : O=C(NCCCCCCCCCCCCCCCCCC)c(ccc(c1)C(=O)OC)c1

CHEM  : Benzoic acid, 4- (octadecylamino)carbonyl -, methyl ester

MOL FOR: C27 H45 N1 O3

MOL WT : 431.66

--------------------------- BIOWIN v4.10 Results ----------------------------

 

  Biowin1 (Linear Model Prediction)   : Biodegrades Fast

  Biowin2 (Non-Linear Model Prediction): Biodegrades Fast

  Biowin3 (Ultimate Biodegradation Timeframe): Weeks-Months

  Biowin4 (Primary Biodegradation Timeframe): Days

  Biowin5 (MITI Linear Model Prediction)   : Biodegrades Fast

  Biowin6 (MITI Non-Linear Model Prediction): Biodegrades Fast

  Biowin7 (Anaerobic Model Prediction): Does Not Biodegrade Fast

  Ready Biodegradability Prediction: NO

 

------+-----+--------------------------------------------+---------+---------

 TYPE | NUM |      Biowin1 FRAGMENT DESCRIPTION        | COEFF | VALUE 

------+-----+--------------------------------------------+---------+---------

 Frag | 1 | Linear C4 terminal chain [CCC-CH3]      | 0.1084 | 0.1084

 Frag | 1 | Ester  [-C(=O)-O-C]                     | 0.1742 | 0.1742

 Frag | 1 | Amide  [-C(=O)-N or -C(=S)-N]          | 0.2102 | 0.2102

 MolWt| * | Molecular Weight Parameter               |        | -0.2055

 Const| * | Equation Constant                        |        | 0.7475

============+============================================+=========+=========

  RESULT  |   Biowin1 (Linear Biodeg Probability)    |        | 1.0348

============+============================================+=========+=========

 

------+-----+--------------------------------------------+---------+---------

 TYPE | NUM |      Biowin2 FRAGMENT DESCRIPTION        | COEFF | VALUE 

------+-----+--------------------------------------------+---------+---------

 Frag | 1 | Linear C4 terminal chain [CCC-CH3]      | 1.8437 | 1.8437

 Frag | 1 | Ester  [-C(=O)-O-C]                     | 4.0795 | 4.0795

 Frag | 1 | Amide  [-C(=O)-N or -C(=S)-N]          | 2.6913 | 2.6913

 MolWt| * | Molecular Weight Parameter               |        | -6.1296

============+============================================+=========+=========

  RESULT  | Biowin2 (Non-Linear Biodeg Probability)  |        | 0.9959

============+============================================+=========+=========

 

 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 | 1 | Linear C4 terminal chain [CCC-CH3]      | 0.2983 | 0.2983

 Frag | 1 | Ester  [-C(=O)-O-C]                     | 0.1402 | 0.1402

 Frag | 1 | Amide  [-C(=O)-N or -C(=S)-N]          | -0.0542 | -0.0542

 MolWt| * | Molecular Weight Parameter               |        | -0.9539

 Const| * | Equation Constant                        |        | 3.1992

============+============================================+=========+=========

  RESULT  | Biowin3 (Survey Model - Ultimate Biodeg) |        | 2.6296

============+============================================+=========+=========

 

------+-----+--------------------------------------------+---------+---------

 TYPE | NUM |      Biowin4 FRAGMENT DESCRIPTION        | COEFF | VALUE 

------+-----+--------------------------------------------+---------+---------

 Frag | 1 | Linear C4 terminal chain [CCC-CH3]      | 0.2691 | 0.2691

 Frag | 1 | Ester  [-C(=O)-O-C]                     | 0.2290 | 0.2290

 Frag | 1 | Amide  [-C(=O)-N or -C(=S)-N]          | 0.2054 | 0.2054

 MolWt| * | Molecular Weight Parameter               |        | -0.6228

 Const| * | Equation Constant                        |        | 3.8477

============+============================================+=========+=========

  RESULT  |  Biowin4 (Survey Model - Primary Biodeg) |        | 3.9284

============+============================================+=========+=========

 

 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 | 1 | Ester  [-C(=O)-O-C]                     | 0.3437 | 0.3437

 Frag | 1 | Amide  [-C(=O)-N or -C(=S)-N]          | 0.1266 | 0.1266

 Frag | 4 | Aromatic-H                               | 0.0082 | 0.0329

 Frag | 2 | Methyl [-CH3]                           | 0.0004 | 0.0008

 Frag | 17 | -CH2- [linear]                          | 0.0494 | 0.8401

 MolWt| * | Molecular Weight Parameter               |        | -1.2842

 Const| * | Equation Constant                        |        | 0.7121

============+============================================+=========+=========

  RESULT  | Biowin5 (MITI Linear Biodeg Probability) |        | 0.7721

============+============================================+=========+=========

 

------+-----+--------------------------------------------+---------+---------

 TYPE | NUM |      Biowin6 FRAGMENT DESCRIPTION        | COEFF | VALUE 

------+-----+--------------------------------------------+---------+---------

 Frag | 1 | Ester  [-C(=O)-O-C]                     | 2.4462 | 2.4462

 Frag | 1 | Amide  [-C(=O)-N or -C(=S)-N]          | 0.8859 | 0.8859

 Frag | 4 | Aromatic-H                               | 0.1201 | 0.4806

 Frag | 2 | Methyl [-CH3]                           | 0.0194 | 0.0389

 Frag | 17 | -CH2- [linear]                          | 0.4295 | 7.3014

 MolWt| * | Molecular Weight Parameter               |        |-12.4616

============+============================================+=========+=========

  RESULT  |Biowin6 (MITI Non-Linear Biodeg Probability)|        | 0.7715

============+============================================+=========+=========

 

 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 | 1 | Linear C4 terminal chain [CCC-CH3]      | -0.3177 | -0.3177

 Frag | 1 | Ester  [-C(=O)-O-C]                     | 0.1719 | 0.1719

 Frag | 1 | Amide  [-C(=O)-N or -C(=S)-N]          | -0.5679 | -0.5679

 Frag | 4 | Aromatic-H                               | -0.0954 | -0.3817

 Frag | 2 | Methyl [-CH3]                           | -0.0796 | -0.1591

 Frag | 17 | -CH2- [linear]                          | 0.0260 | 0.4418

 Const| * | Equation Constant                        |        | 0.8361

============+============================================+=========+=========

  RESULT  |  Biowin7 (Anaerobic Linear Biodeg Prob)  |        | 0.0233

============+============================================+=========+=========

 

 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.

 

Validity criteria fulfilled:
yes
Remarks:
Validated QSAR, part of the OECD (Q)SAR Toolbox
Interpretation of results:
not readily biodegradable
Conclusions:
The BIOWIN v4.10 model predicted that the substance is not readily biodegradable. The BIOWIN1 value = 1.0348 and BIOWIN2 value = 0.9959 were each above 0.5, and each indicated fast biodegradation. The BIOWIN3 value = 2.6296 indicated a timeframe of weeks to months ultimate biodegradation, and the BIOWIN4 value of 3.9284 indicated a timeframe of days to primary degradation. The BIOWIN5 value = 0.7721 and the BIOWIN6 value = 0.7715 were each greater than 0.5, and each indicated ready biodegradability. The BIOWIN7 value of 0.0233 value was less than 0.5, indicating that it does not biodegrade fast under anaerobic conditions. Although the model predictions were that the substance was not predicted to be readily biodegradable, the substance was predicted to biodegrade fast by modules BIOWIN1, BIOWIN2, BIOWIN5 and BIOWIN6 and to undergo ultimate degradation in weeks to months by BIOWIN3 and to undergo primary degradation in days by BIOWIN4.  

Description of key information

The key study was a CO2 evolution test conducted in accordance with OECD Guideline 301B. The substance was found to be “not readily biodegradable” in a test conducted in accordance with OECD Guideline 301B. The biodegradation was reported as 21.8% after 28 days, and 25.6 % after 47 days. 

Key value for chemical safety assessment

Biodegradation in water:
under test conditions no biodegradation observed
Type of water:
freshwater

Additional information

In the supporting study, the EPI Suite BIOWIN v 4.10 (Q)SAR model predicted that the substance is not readily biodegradable. Although the model predicted that the substance is not readily biodegradable, the substance was predicted to "biodegrade fast" by modules BIOWIN1, BIOWIN2, BIOWIN5 and BIOWIN6, to undergo ultimate degradation in "weeks to months" by BIOWIN3 and to undergo primary degradation in "days" by BIOWIN4.