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Biodegradation in water: screening tests

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Reference
Endpoint:
biodegradation in water: screening tests
Type of information:
(Q)SAR
Adequacy of study:
weight of evidence
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
Justification for type of information:
The supporting QMRF report has been attached.
Qualifier:
according to
Guideline:
OECD Guideline 301 C (Ready Biodegradability: Modified MITI Test (I))
Principles of method if other than guideline:
Prediction was done using OECD QSAR tool box v.3.3
GLP compliance:
not specified
Specific details on test material used for the study:
- Name of test material: 4-methylpiperazin-1-amine
- Molecular formula : C5H13N3
- Molecular weight : 115.179 g/mol
- Smiles notation : N1(CCN(CC1)C)N
- Substance type:Organic
- Physical state:Liquid
Oxygen conditions:
aerobic
Inoculum or test system:
other: Microorganisms
Duration of test (contact time):
28 d
Parameter followed for biodegradation estimation:
other: BOD
Key result
Parameter:
other: BOD
Value:
0.5
Sampling time:
28 d
Remarks on result:
other: other details not available
Details on results:
The test chemical 4-methylpiperazin-1-amine showed 0.5% biodegradability by considering BOD as parameter in 28 days.

The prediction was based on dataset comprised from the following descriptors: BOD
Estimation method: Takes average value from the 6 nearest neighbours
Domain  logical expression:Result: In Domain

(((((("a" or "b" or "c" )  and "d" )  and "e" )  and "f" )  and "g" )  and ("h" and "i" )  )

Domain logical expression index: "a"

Referential boundary: The target chemical should be classified as Aliphatic Amines by US-EPA New Chemical Categories

Domain logical expression index: "b"

Referential boundary: The target chemical should be classified as Radical OR Radical >> Radical mechanism via ROS formation (indirect) OR Radical >> Radical mechanism via ROS formation (indirect) >> Hydrazine Derivatives by DNA binding by OASIS v.1.3 ONLY

Domain logical expression index: "c"

Referential boundary: The target chemical should be classified as SN1 OR SN1 >> Iminium Ion Formation OR SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines by DNA binding by OECD ONLY

Domain logical expression index: "d"

Referential boundary: The target chemical should be classified as days - weeks by Biodeg primary (Biowin 4) ONLY

Domain logical expression index: "e"

Referential boundary: The target chemical should be classified as Does NOT Biodegrade Fast by Biodeg probability (Biowin 1) ONLY

Domain logical expression index: "f"

Referential boundary: The target chemical should be classified as weeks - months by Biodeg ultimate (Biowin 3) ONLY

Domain logical expression index: "g"

Referential boundary: The target chemical should be classified as SN1 AND SN1 >> Iminium Ion Formation AND SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines by DNA binding by OECD ONLY

Domain logical expression index: "h"

Parametric boundary:The target chemical should have a value of Molecular weight which is >= 99.1 Da

Domain logical expression index: "i"

Parametric boundary:The target chemical should have a value of Molecular weight which is <= 172 Da

Validity criteria fulfilled:
not specified
Interpretation of results:
not readily biodegradable
Conclusions:
The test chemical 4-methylpiperazin-1-amine showed 0.5 % biodegradation in 28 days by considering BOD as parameter and microorganisms as inoculum therefore it is concluded that this test chemical 4-methylpiperazin-1-amine is not readily biodegradable.
Executive summary:

Biodegradability of test chemical 4-methylpiperazin-1-amine is predicted using OECD QSAR tool box v.3.3 using log Kow as primary descriptor.The test chemical 4-methylpiperazin-1-amine showed 0.5 % biodegradation in 28 days by considering BOD as parameter and microorganisms as inoculum therefore it is concluded that this test chemical 4-methylpiperazin-1-amine is not readily biodegradable.

Description of key information

Biodegradation in water

Biodegradability of test chemical 4-methylpiperazin-1-amine is predicted using OECD QSAR tool box v.3.3 using log Kow as primary descriptor.The test chemical 4-methylpiperazin-1-amine showed 0.5 % biodegradation in 28 days by considering BOD as parameter and microorganisms as inoculum therefore it is concluded that this test chemical 4-methylpiperazin-1-amine is not readily biodegradable.

Key value for chemical safety assessment

Biodegradation in water:
under test conditions no biodegradation observed

Additional information

Biodegradation in water:

Various biodegradations studies were performed for test substance 4-Methylpiperazin-1-amine (CAS No: 6928-85-4) to determine its percentage biodegradability in water which are summarized below by using available data for target substance, data from prediction model based estimation and data from its read across substance.

Biodegradability of test chemical 4-methylpiperazin-1-amine is predicted using OECD QSAR tool box v.3.3 using log Kow as primary descriptor.The test chemical 4-methylpiperazin-1-amine showed 0.5 % biodegradation in 28 days by considering BOD as parameter and microorganisms as inoculum therefore it is concluded that this test chemical 4-methylpiperazin-1-amine is not readily biodegradable.

Another prediction done by using Estimation Programs Interface Suite (EPI suite, 2017). The biodegradation potential of the test 4-Methylpiperazin-1-amine (CAS No: 6928-85-4) in the presence of mixed populations of environmental microorganisms. The biodegradability of the substance 4-Methylpiperazin-1-amine (CAS No: 6928-85-4) was calculated using seven different models such as Linear Model, Non-Linear Model, Ultimate Biodegradation Timeframe, Primary Biodegradation Timeframe, MITI Linear Model, MITI Non-Linear Model and Anaerobic Model (called as Biowin 1-7, respectively) of the BIOWIN v4.10 software. The results indicate that chemical 4-Methylpiperazin-1-amine (CAS No: 6928-85-4) is expected to be not readily biodegradable.

In a supporting weight of evidence study of read across substance piperazine, biodegradation study was conducted by Japan chemicals collaborative knowledge database (J-check, 2017) for 14 days for evaluating the percentage biodegradability of read across substance Piperazine (CAS No: 110-85-0). In this test, concentration of inoculum i.e, sludge used was 30 mg/l and initial concentration of read cross substance used in the study was100 mg/l. The percentage degradation of read cross substance obtained was 1.4% by BOD, 1% by TOC removal and 2.8% by GC in 14 days. Thus, the substance Piperazine (CAS No: 110-85-0) is expected to be not readily biodegradable in water.

In another weight of evidence study for read across chemical 1,4 -diaminobenzene conducted by Japan chemicals collaborative knowledge database (J-check), 2017 biodegradation test was carried out for read across substance 1, 4-diaminobenzene (CAS No: 106-50-3) to determine its percentage biodegradability using an activated sludge inoculum. The test system contained 100 mg/L of read across chemical and activated sludge inoculum at 30 mg/L and by using BOD as parameter to determine the percentage biodegradation.The read across substance 1, 4-diaminobenzene (CAS No: 106-50-3) showed 5% biodegradation by considering BOD parameter in 28 days. Thus, the read cross substance 1, 4-diaminobenzene (CAS No: 106-50-3) can be considered as not readily biodegradable.

On the basis of available data for target substance 4-Methylpiperazin-1-amine (CAS No: 6928-85-4) ( from OECD QSAR tool box v.3.3 ans EPI suite 2017) and for its read across substances Piperazine(CAS No: 110-85-0) and 1,4-diaminobenzene (CAS No: 106-50-3) ( from j check 2017) it can be concluded that the test substance 4-Methylpiperazin-1-amine (CAS No: 6928-85-4) can be expected to be not readily biodegradable in water.