N-potassium phthalimide

Biodegradation in water: screening tests

Link to relevant study record(s)

Reference

Endpoint:

biodegradation in water: ready biodegradability

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 B (Ready Biodegradability: CO2 Evolution Test)

Principles of method if other than guideline:

The data is predicted using the OECD QSAR toolbox version 3.3.

GLP compliance:

not specified

Specific details on test material used for the study:

- Name of test material (as cited in study report): Potassium phthalimide
- Molecular formula (if other than submission substance): C8H5NO2.K
- Molecular weight (if other than submission substance): 185.223 g/mol
- Smiles notation (if other than submission substance): c12c(C(=O)[NH-]C1=O)cccc2.[K+]
- InChI: 1S/C8H5NO2.K/c10-7-5-3-1-2-4-6(5)8(11)9-7;/h1-4H,(H,9,10,11);/q;+1/p-1
- Substance type: Organic
- Physical state: solid

Oxygen conditions:

aerobic

Inoculum or test system:

activated sludge (adaptation not specified)

Duration of test (contact time):

28 d

Parameter followed for biodegradation estimation:

CO2 evolution

Key result

Parameter:

% degradation (CO2 evolution)

Value:

29.961

Sampling time:

28 d

Remarks on result:

other: Other details not known

Details on results:

Test substance undergoes 29.96% degradation by CO2 evolution parameter in 28 days.

The prediction was based on dataset comprised from the following descriptors: "CO2 evolution"
Estimation method: Takes average value from the 6 nearest neighbours
Domain  logical expression:Result: In Domain

(((((((("a" or "b" or "c" or "d" or "e" )  and ("f" and ( not "g") )  )  and "h" )  and "i" )  and "j" )  and ("k" and ( not "l") )  )  and ("m" and ( not "n") )  )  and ("o" and "p" )  )

Domain logical expression index: "a"

Referential boundary: The target chemical should be classified as Imides (Acute toxicity) by US-EPA New Chemical Categories

Domain logical expression index: "b"

Referential boundary: The target chemical should be classified as Aryl AND Fused carbocyclic aromatic AND Fused saturated heterocycles AND Imide by Organic Functional groups

Domain logical expression index: "c"

Referential boundary: The target chemical should be classified as Aryl AND Fused carbocyclic aromatic AND Fused saturated heterocycles AND Imide AND Overlapping groups by Organic Functional groups (nested)

Domain logical expression index: "d"

Referential boundary: The target chemical should be classified as Amide, aromatic attach [-C(=O)N] AND Aromatic Carbon [C] AND Carbonyl, olefinic attach [-C(=O)-] AND Carbonyl, one aromatic attach [-C(=O)-] AND Miscellaneous sulfide (=S) or oxide (=O) AND Nitrogen, two or tree olefinic attach [>N-] AND Olefinic carbon [=CH- or =C<] by Organic functional groups (US EPA)

Domain logical expression index: "e"

Referential boundary: The target chemical should be classified as Anion AND Aromatic compound AND Carbonic acid derivative AND Carboxylic acid derivative AND Cation AND Heterocyclic compound by Organic functional groups, Norbert Haider (checkmol)

Domain logical expression index: "f"

Referential boundary: The target chemical should be classified as No alert found by DNA binding by OECD

Domain logical expression index: "g"

Referential boundary: The target chemical should be classified as Michael addition OR Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals OR Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Hydroquinones OR SN1 OR SN1 >> Iminium Ion Formation OR SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines OR SN1 >> Nitrenium Ion formation OR SN1 >> Nitrenium Ion formation >> Primary aromatic amine OR SN2 OR SN2 >> SN2 at an sp3 Carbon atom OR SN2 >> SN2 at an sp3 Carbon atom >> Phosphates by DNA binding by OECD

Domain logical expression index: "h"

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

Domain logical expression index: "i"

Referential boundary: The target chemical should be classified as Biodegrades Fast by Biodeg probability (Biowin 2) ONLY

Domain logical expression index: "j"

Referential boundary: The target chemical should be classified as Bioavailable by Lipinski Rule Oasis ONLY

Domain logical expression index: "k"

Referential boundary: The target chemical should be classified as Alkali Earth AND Non-Metals by Groups of elements

Domain logical expression index: "l"

Referential boundary: The target chemical should be classified as Halogens by Groups of elements

Domain logical expression index: "m"

Referential boundary: The target chemical should be classified as Group 1 - Alkali Earth Li,Na,K,Rb,Cs,Fr AND Group 14 - Carbon C AND Group 15 - Nitrogen N AND Group 16 - Oxygen O by Chemical elements

Domain logical expression index: "n"

Referential boundary: The target chemical should be classified as Group 16 - Sulfur S by Chemical elements

Domain logical expression index: "o"

Parametric boundary:The target chemical should have a value of Molecular weight which is >= 169 Da

Domain logical expression index: "p"

Parametric boundary:The target chemical should have a value of Molecular weight which is <= 307 Da

Validity criteria fulfilled:

not specified

Interpretation of results:

not readily biodegradable

Conclusions:

The test chemical Potassium phthalimide was estimated to be not readily biodegradable in water.

Executive summary:

Biodegradability of Potassium phthalimide (CAS no. 1074 -82 -4) is predicted using QSAR toolbox version 3.3. Test substance undergoes 29.96% degradation by CO2 evolution parameter in 28 days. Thus, based on percentage degradation, the test chemical Potassium phthalimide was estimated to be not readily biodegradable in water.

Description of key information

Biodegradability of Potassium phthalimide (CAS no. 1074 -82 -4) is predicted using QSAR toolbox version 3.3 (2017). Test substance undergoes 29.96% degradation by CO2 evolution parameter in 28 days. Thus, based on percentage degradation, the test chemical Potassium phthalimide 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

In different studies, Potassium phthalimide (CAS No. 1074 -82 -4) has been investigated for potential for biodegradation to a greater or lesser extent. These include 2 predicted data for the target compound Potassium phthalimide and the 1 study (from authoritative database) for its closest read across substance with logKow as the primary descriptor.

 

In a predicted data done by SSS (2017) using OECD QSAR toolbox version 3.3 with logKow as the primary descriptor, percentage biodegradability of test chemical Potassium phthalimide (CAS no. 1074 -82 -4) was estimated. Test substance undergoes 29.96% degradation by CO2 evolution parameter in 28 days. Thus, based on percentage degradation, the test chemical Potassium phthalimide was estimated to be not readily biodegradable in water.

 

Another prediction was done using the Estimation Programs Interface Suite (EPI suite, 2017) for estimating the biodegradation potential of the test compound Potassium phthalimide (CAS no. 1074 -82 -4)in the presence of mixed populations of environmental microorganisms.The biodegradability of the substance 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 Potassium phthalimide is expected to be not readily biodegradable.

 

In an additional supporting weight of evidence studyof read acrosssubstance1,2,3,6-Tetrahydrophthalimide (CAS no. 85-40-5)from authoritative database (J-CHECK, 2016), biodegradation experiment was conducted for 28 days forevaluating the percentage biodegradability of read across substance 1,2,3,6-Tetrahydrophthalimide. Concentration of inoculum i.e, sludge used was 30 mg/l and initial test substance conc. used in the study was 100 mg/l. The percentage degradation of read across substance1,2,3,6-Tetrahydrophthalimidewas determined to be0, 3 and 8% degradation by BOD, TOC removal and HPLC parameter in 28 days, respectively.Thus, based on percentage degradation,1,2,3,6-Tetrahydrophthalimidewas considered to be not readily biodegradable in nature.

 

On the basis of above results for target chemical Potassium phthalimide (from OECD QSAR toolbox version 3.3 and EPI suite, 2017) and for its read across substance (from authoritative database J-CHECK), it can be concluded that the test substance Potassium phthalimide can be expected to be not readily biodegradable in nature.