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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
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Qualifier:
according to guideline
Guideline:
OECD Guideline 301 C (Ready Biodegradability: Modified MITI Test (I))
GLP compliance:
yes
Oxygen conditions:
aerobic
Inoculum or test system:
activated sludge (adaptation not specified)
Details on inoculum:
- Concentration of sludge: 30 mg/L
Duration of test (contact time):
14 d
Initial conc.:
100 mg/L
Based on:
test mat.
Details on study design:
a) Water Temperature: 24 - 26 °C
b) Inoculum: standardized activated sludge, 30 mg/L as suspended solid
c) Exposure Vessel Type: 300 mL culture bottle
d) Number of Replicate: 3
Parameter:
other: BOD
Value:
92 - 100
Sampling time:
14 d
Parameter:
% degradation (TOC removal)
Value:
86 - 87
Sampling time:
14 d
Validity criteria fulfilled:
yes
Interpretation of results:
readily biodegradable
Conclusions:
The test substance was degraded 92-100% after 14 days.
Executive summary:

In a MITI, OECD 301C biodegradation test, the material was found to be readily biodegradable based on 92 -100% degradation after 14 days.

Endpoint:
biodegradation in water: ready biodegradability
Type of information:
experimental study
Adequacy of study:
supporting study
Reliability:
3 (not reliable)
Rationale for reliability incl. deficiencies:
other: Documentation insufficient for assessment. Non-GLP.
Qualifier:
according to guideline
Guideline:
OECD Guideline 301 D (Ready Biodegradability: Closed Bottle Test)
Version / remarks:
adopted 17 July 1992
Deviations:
no
Qualifier:
according to guideline
Guideline:
EU Method C.4-E (Determination of the "Ready" Biodegradability - Closed Bottle Test)
Deviations:
no
GLP compliance:
not specified
Oxygen conditions:
aerobic
Inoculum or test system:
not specified
Details on inoculum:
no data
Duration of test (contact time):
28 d
Initial conc.:
3.3 mg/L
Based on:
test mat.
Initial conc.:
2.02 other: mg O2/mg
Based on:
ThOD/L
Initial conc.:
1.65 other: mg/L, toxicity control
Based on:
test mat.
Initial conc.:
1.83 other: mg O2/mg, toxicity control
Based on:
ThOD/L
Parameter followed for biodegradation estimation:
O2 consumption
Details on study design:
TEST SYSTEM
- Number of culture flasks/concentration: 3 (test substance); 2 (inoculum blank, toxicity control, reference substance)
- Test performed in closed vessels due to significant volatility of test substance: closed bottle test

CONTROL AND BLANK SYSTEM
- Inoculum blank: yes; medium + inoculum
- Abiotic sterile control: no
- Toxicity control: yes; medium + inoculum + test item (1.65 mg/L) + reference substance (2 mg/L)
- Reference substance: medium + inoculum + reference substance (4 mg/L)
Reference substance:
benzoic acid, sodium salt
Parameter:
% degradation (O2 consumption)
Value:
1.2
Sampling time:
28 d
Parameter:
% degradation (O2 consumption)
Value:
41.7
Sampling time:
28 d
Remarks on result:
other: toxicity control
Details on results:
The biodegradation of the test substance remained below 5% (1.1 - 4.3%) throughout the study period of 28 d. The biodegradation in the toxicity control ranged between 41.0 and 42.4%.
Results with reference substance:
The reference substance degraded normally under the test conditions (86.1% after 14 d).

biodegradation [%]

7 d

14 d

20 d

28 d

test substance

2.3

1.1

4.3

1.2

toxicity control

42.4

41.0

42.1

41.7

reference substance

84.5

86.1

83.1

84.5

Validity criteria fulfilled:
yes
Interpretation of results:
under test conditions no biodegradation observed
Conclusions:
The ready biodegradation of ETMA was investigated in a study conducted according to OECD Guideline 301 D (Ready Biodegradability: Closed Bottle Test). The biodegradation of the test substance remained below 5% throughout the study period of 28 d (1.1 – 4.3%). No biodegradation was observed under the conditions of the study.
Executive summary:

The ready biodegradation of ETMA was investigated in a study conducted according to OECD Guideline 301 D (Ready Biodegradability: Closed Bottle Test), adopted 17 July 1992 and EU Method C.4-E (Determination of the "Ready" Biodegradability - Closed Bottle Test), over a period of 28 days. The type of inoculum was not specified in the study report. The biodegradation rate was determined by measurement of O2 consumption. Inoculum blank and procedural/functional control with the reference substance sodium benzoate were performed.

The functional control reached the pass level >60% after 14 d. The biodegradation of the test substance remained below 5% throughout the study period of 28 d (1.1 – 4.3%). No biodegradation was observed under the conditions of the present study.

The biodegradation in the toxicity control ranged between 41.0 and 42.4%. According to the criteria of the OECD guideline 301 D, a substance can be assumed to be inhibitory, if less than 25% (based on total ThOD) degradation occurred within 14 days. Thus, ETMA did not inhibit bacterial activity.

Endpoint:
biodegradation in water: ready biodegradability
Type of information:
(Q)SAR
Adequacy of study:
supporting study
Study period:
2013
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 limited documentation / justification
Qualifier:
no guideline followed
Principles of method if other than guideline:
estimated by calculation using EPIWEB version 4.1, BIOWIN (v4.10)
GLP compliance:
no

BIOWIN (v4.10) Program Results:

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

SMILES : O=C(OCCOCC)C(=C)C

CHEM  : ETMA

MOL FOR: C8 H14 O3

MOL WT : 158.20

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

 

Biowin1 (Linear Model Prediction)   : Does Not Biodegrade Fast

Biowin2 (Non-Linear Model Prediction): Biodegrades Fast

Biowin3 (Ultimate Biodegradation Timeframe): Weeks

Biowin4 (Primary Biodegradation Timeframe): Days

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

Frag | 1 | Aliphatic ether [C-O-C]                 | -0.3474 | -0.3474

MolWt| * | Molecular Weight Parameter               |        | -0.0753

Const| * | Equation Constant                        |        | 0.7475

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

RESULT  |   Biowin1 (Linear Biodeg Probability)    |        | 0.4991

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

 

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

TYPE | NUM |      Biowin2 FRAGMENT DESCRIPTION        | COEFF | VALUE

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

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

Frag | 1 | Aliphatic ether [C-O-C]                 | -3.4294 | -3.4294

MolWt| * | Molecular Weight Parameter               |        | -2.2464

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

RESULT  | Biowin2 (Non-Linear Biodeg Probability)  |        | 0.8041

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

 

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

Frag | 1 | Aliphatic ether [C-O-C]                 | -0.0087 | -0.0087

MolWt| * | Molecular Weight Parameter               |        | -0.3496

Const| * | Equation Constant                        |        | 3.1992

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

RESULT  | Biowin3 (Survey Model - Ultimate Biodeg) |        | 2.9811

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

 

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

TYPE | NUM |      Biowin4 FRAGMENT DESCRIPTION        | COEFF | VALUE

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

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

Frag | 1 | Aliphatic ether [C-O-C]                 | -0.0097 | -0.0097

MolWt| * | Molecular Weight Parameter               |        | -0.2282

Const| * | Equation Constant                        |        | 3.8477

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

RESULT  |  Biowin4 (Survey Model - Primary Biodeg) |        | 3.8387

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

 

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 | Aliphatic ether [C-O-C]                 | 0.0015 | 0.0015

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

Frag | 3 | -CH2- [linear]                          | 0.0494 | 0.1482

Frag | 2 | -C=CH [alkenyl hydrogen]                | 0.0062 | 0.0124

MolWt| * | Molecular Weight Parameter               |        | -0.4706

Const| * | Equation Constant                        |        | 0.7121

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

RESULT  | Biowin5 (MITI Linear Biodeg Probability) |        | 0.7482

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

 

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

TYPE | NUM |      Biowin6 FRAGMENT DESCRIPTION        | COEFF | VALUE

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

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

Frag | 1 | Aliphatic ether [C-O-C]                 | -0.1071 | -0.1071

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

Frag | 3 | -CH2- [linear]                          | 0.4295 | 1.2885

Frag | 2 | -C=CH [alkenyl hydrogen]                | 0.0285 | 0.0570

MolWt| * | Molecular Weight Parameter               |        | -4.5670

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

RESULT  |Biowin6 (MITI Non-Linear Biodeg Probability)|        | 0.8432

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

 

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

Frag | 1 | Aliphatic ether [C-O-C]                 | -0.2573 | -0.2573

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

Frag | 3 | -CH2- [linear]                          | 0.0260 | 0.0780

Frag | 2 | -C=CH [alkenyl hydrogen]                | -0.0735 | -0.1470

Const| * | Equation Constant                        |        | 0.8361

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

RESULT  |  Biowin7 (Anaerobic Linear Biodeg Prob)  |        | 0.5225

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

 

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.

 

 

Interpretation of results:
readily biodegradable
Conclusions:
Based on the prediction of EPIWEB version 4.1, BIOWIN (v4.10) ETMA is considered to be readily biodegradable.

Description of key information

readily biodegradable; category interpolation, EPIWEB prediction

Key value for chemical safety assessment

Biodegradation in water:
readily biodegradable

Additional information

No reliable experimental data are available for the biodegradation of ETMA. The available study is considered as not reliable due to insufficient documentation (Klimisch score 3): No biodegradation was observed under the conditions of this study.

Reliable studies are available for other category members, e.g. HEMA: In a MITI, OECD 301C biodegradation test, HEMA was found to be readily biodegradable based on 92 -100% degradation after 14 days.

Thus, by interpolation within the category and based upon EPIWEB predictions (EPIWEB version 4.1, BIOWIN (v4.10)) and structural considerations ETMA is considered readily biodegradable.