Benzenamine, 4-[(4-aminophenyl)(4-imino-2,5-cyclohexadien-1-ylidene)methyl]-, N-Me derivatives, molybdatesilicates

Biodegradation in water: screening tests

Link to relevant study record(s)

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

Guideline:

OECD Guideline 301 C (Ready Biodegradability: Modified MITI Test (I))

Principles of method if other than guideline:

The data is predicted using the OECD QSAR toolbox version 3.4 with logKow as the primary descriptor.

GLP compliance:

not specified

Specific details on test material used for the study:

- Name of test material : Benzenamine, 4-[(4-aminophenyl)(4-imino-2,5-cyclohexadien-1-ylidene)methyl]-, N-Me derivatives, molybdatesilicates
- Substance type: Organic
- Physical state: Solid

Oxygen conditions:

aerobic

Inoculum or test system:

other: Micro-organisms

Duration of test (contact time):

28 d

Based on:

not specified

Parameter followed for biodegradation estimation:

other: BOD

Key result

Parameter:

other: BOD

Value:

0.55

Sampling time:

28 d

Remarks on result:

other: Other details not known

Details on results:

The test chemical Benzenamine, 4-[(4-aminophenyl)(4-imino-2,5-cyclohexadien-1-ylidene)methyl]-, N-Me derivatives, molybdatesilicates undergoes 0.55% biodegrdadation 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" or "d" )  and "e" )  and "f" )  and ("g" and ( not "h") )  )  and ("i" and "j" )  )

Domain logical expression index: "a"

Referential boundary: The target chemical should be classified as Phosphates, Inorganic by US-EPA New Chemical Categories

Domain logical expression index: "b"

Referential boundary: The target chemical should be classified as SN1 AND SN1 >> Nitrenium Ion formation AND SN1 >> Nitrenium Ion formation >> Tertiary aromatic amine by DNA binding by OECD

Domain logical expression index: "c"

Referential boundary: The target chemical should be classified as Acylation AND Acylation >> Acylation involving an activated (glucuronidated) ester group AND Acylation >> Acylation involving an activated (glucuronidated) ester group >> Arenecarboxylic Acid Esters by Protein binding by OASIS v1.4

Domain logical expression index: "d"

Referential boundary: The target chemical should be classified as Inorganic Compound by Aquatic toxicity classification by ECOSAR

Domain logical expression index: "e"

Referential boundary: The target chemical should be classified as Class 5 (Not possible to classify according to these rules) by Acute aquatic toxicity classification by Verhaar (Modified) ONLY

Domain logical expression index: "f"

Referential boundary: The target chemical should be classified as Reactive unspecified by Acute aquatic toxicity MOA by OASIS ONLY

Domain logical expression index: "g"

Referential boundary: The target chemical should be classified as Inorganic Compound AND SHOULD NOT BE PROFILED by Aquatic toxicity classification by ECOSAR

Domain logical expression index: "h"

Referential boundary: The target chemical should be classified as Acid moiety by Aquatic toxicity classification by ECOSAR

Domain logical expression index: "i"

Parametric boundary:The target chemical should have a value of Molecular weight which is >= 165 Da

Domain logical expression index: "j"

Parametric boundary:The target chemical should have a value of Molecular weight which is <= 793 Da

Validity criteria fulfilled:

not specified

Interpretation of results:

under test conditions no biodegradation observed

Conclusions:

The test chemical Benzenamine, 4-[(4-aminophenyl)(4-imino-2,5-cyclohexadien-1-ylidene)methyl]-, N-Me derivatives, molybdatesilicates was estimated to be not readily biodegradable in water.

Executive summary:

Biodegradability of Benzenamine, 4-[(4-aminophenyl)(4-imino-2,5-cyclohexadien-1-ylidene)methyl]-, N-Me derivatives, molybdatesilicates (CAS no. 68647 -35 -8) is predicted using QSAR toolbox version 3.4 with logKow as the primary descriptor. Test substance undergoes 0.55% degradation by BOD in 28 days. Thus, based on percentage degradation, the test chemical Benzenamine, 4-[(4-aminophenyl)(4-imino-2,5-cyclohexadien-1-ylidene)methyl]-, N-Me derivatives, molybdatesilicates was estimated to be not readily biodegradable in water.

Description of key information

Biodegradability of Benzenamine, 4-[(4-aminophenyl)(4-imino-2,5-cyclohexadien-1-ylidene)methyl]-, N-Me derivatives, molybdatesilicates (CAS no. 68647 -35 -8) is predicted using QSAR toolbox version 3.4 (2018) with logKow as the primary descriptor. Test substance undergoes 0.55% degradation by BOD in 28 days. Thus, based on percentage degradation, the test chemical Benzenamine, 4-[(4-aminophenyl)(4-imino-2,5-cyclohexadien-1-ylidene)methyl]-, N-Me derivatives, molybdatesilicates was estimated to be not readily biodegradable in water.

Key value for chemical safety assessment

Biodegradation in water:

under test conditions no biodegradation observed

Additional information

Predicted data for the target compound Benzenamine, 4-[(4-aminophenyl)(4-imino-2,5-cyclohexadien-1-ylidene)methyl]-, N-Me derivatives, molybdatesilicates (CAS No.68647-35-8) and supporting weight of evidence studies for its closest read across substance were reviewed for the biodegradation end point which are summarized as below:

 

In a prediction done by SSS (2018) using OECD QSAR toolbox version 3.4 with logKow as the primary descriptor, percentage biodegradability of test chemicalBenzenamine, 4 -[(4 -aminophenyl)(4 -imino-2,5 -cyclohexadien-1 -ylidene)methyl]-, N-Me derivatives, molybdatesilicates(CAS No.68647-35-8) was estimated.Test substance undergoes 0.55% degradation by BOD in 28 days. Thus, based on percentage degradation, the test chemical Benzenamine, 4-[(4-aminophenyl)(4-imino-2,5-cyclohexadien-1-ylidene)methyl]-, N-Me derivatives, molybdatesilicates was estimated to be not readily biodegradable in water.

 

In a supporting weight of evidence study from experimental study report (UERL study report, Sustainability Support Services (Europe) AB, Report no. 83803-79-6/01/2018/CBT, 2018) for the read across chemical [4-[[4-anilino-1-naphthyl][4-(dimethylamino)phenyl]methylene]cyclohexa-2,5-dien-1-ylidene]dimethylammonium acetate (CAS no. 83803-79-6),28-days Closed Bottle test following the OECD guideline 301 D to determine the ready biodegradability of the read across chemical [4-[[4-anilino-1-naphthyl][4 - (dimethylamino)phenyl]methylene]cyclohexa-2,5 -dien-1 -ylidene]dimethylammonium acetate, CAS No. 83803 -79 -6. The test system included control, test item and reference item. The concentration of test and reference item ( Sodium Benzoate) chosen for both the study was 4 mg/L, while that of inoculum was 32 ml/l. ThOD (Theoretical oxygen demand) of test and reference item was determined by calculation. % degradation was calculated using the values of BOD and ThOD for test item and reference item. The BOD28 value of [4 -[[4 -anilino-1 -naphthyl][4 -(dimethylamino)phenyl]methylene]cyclohexa-2,5 -dien-1 -ylidene]dimethylammonium acetate, CAS No. 83803 -79-6 was observed to be 0.52 mgO2/mg. ThOD was calculated as 2.44 mgO2/mg. Accordingly, the % degradation of the test item after 28 days of incubation at 20 ± 1°C according to Closed Bottle test was found to be 21.31%. Based on the results, the test item, under the test conditions, was considered to be not readily biodegradable.

 

For the read across chemical 4,4'-carbonimidoylbis[N,N-diethylaniline] monohydrochloride (CAS no. 6358-36-7), 35-days Closed Bottle test following the OECD guideline 301D to determine the ready biodegradability of the read across chemical 4,4'-carbonimidoylbis[N,Ndiethylaniline] monohydrochloride, CAS No. 6358-36-7 (UERL study report, Sustainability Support Services (Europe) AB, Report no. 6358-36-7/01/2017/CBT, 2017). The test system included control, test item and reference item. The concentration of test and reference item ( Sodium Benzoate) chosen for both the study was 4 mg/L, while that of inoculum was 32 ml/l. ThOD (Theoretical oxygen demand) of test and reference item was determined by calculation. % Degradation was calculated using the values of BOD and ThOD for test item and reference item. The BOD35 value of 4,4'-carbonimidoylbis[N,N-diethylaniline] monohydrochloride, CAS No. 6358-36-7 was observed to be 0.52 mgO2/mg. ThOD was calculated as 2.31 mgO2/mg. Accordingly, the % degradation of the test item after 35 days of incubation at 20 ± 1°C according to Closed Bottle test was determined to be 22.51%. Based on the results, the test item, under the test conditions, was considered to be not readily biodegradable.

 

In an another supporting weight of evidence study from peer reviewed journal (H. Heukelekian and M. C. Rand, 1955) for the read across chemical Basic violet 1 (CAS no. 004 -87 -3), biodegradation experiment was conducted for 5 days for evaluating the percentage biodegradability of read across substance Basic violet 1 using standard dilution method under aerobic conditions at a temperature of 20°C. Sewage was used as a test inoculum. The 5 day BOD value of chemical Basic violet 1 was determined to be 0 g/g. Thus, based on this value, Basic violet 1 is considered to be not readily biodegradable in nature.

 

On the basis of above results for target chemical Benzenamine, 4-[(4-aminophenyl)(4-imino-2,5-cyclohexadien-1-ylidene)methyl]-, N-Me derivatives, molybdatesilicates (from OECD QSAR toolbox version 3.4, 2018) and for its read across substance (from UERL study report and peer reviewed journal), it can be concluded that the test substance Benzenamine, 4-[(4-aminophenyl)(4-imino-2,5-cyclohexadien-1-ylidene)methyl]-, N-Me derivatives, molybdatesilicates can be expected to be not readily biodegradable in nature.