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Environmental fate & pathways

Hydrolysis

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Administrative data

Link to relevant study record(s)

Reference
Endpoint:
hydrolysis
Type of information:
calculation (if not (Q)SAR)
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
accepted calculation method
Justification for type of information:
Estimated data generated using the EPI Suite model developed by the USEPA.
Qualifier:
according to guideline
Guideline:
other: Modeling database
Principles of method if other than guideline:
HYDROWIN Program (v2.00) from EPI Suite estimation database
GLP compliance:
not specified
Specific details on test material used for the study:
- Name of test material: Reaction mass of Methanaminium, N-[4-[[4-(dimethylamino)phenyl]phenylmethylene]-2,5-cyclohexadien-1-ylidene]-N-methyl- & acetate- Molecular formula: C25H28N2O2- Molecular weight: 388.508 g/mole- Smiles : [N+](=C1/C=CC(\C=C1)=C(\c1ccccc1)c1ccc(cc1)N(C)C)(\C)C.C(C)(=O)[O-]- Inchl: 1S/C23H25N2.C2H4O2/c1-24(2)21-14-10-19(11-15-21)23(18-8-6-5-7-9-18)20-12-16-22(17-13-20)25(3)4;1-2(3)4/h5-17H,1-4H3;1H3,(H,3,4)/q+1;/p-1- Substance type: Organic- Physical state: maroon lustrous liquid
Radiolabelling:
not specified
Analytical monitoring:
not specified
Estimation method (if used):
HYDROWIN v2.00
Transformation products:
not specified
pH:
7
Temp.:
25 °C
DT50:
16.3 d
Type:
not specified
Remarks on result:
other: other details not available
pH:
8
Temp.:
25 °C
DT50:
1.63 d
Type:
not specified
Remarks on result:
other: other details not available
Validity criteria fulfilled:
not specified
Conclusions:
The half life of hydrolysis of test chemical Reaction mass of Methanaminium, N-[4-[[4-(dimethylamino)phenyl]phenylmethylene]-2,5-cyclohexadien-1-ylidene]-N-methyl- & acetate was estimated to be 16.3 days and 1.63 days at pH 7 and 8 respectively. On the basis of this half life value it can be concluded that test chemical Reaction mass of Methanaminium, N-[4-[[4-(dimethylamino)phenyl]phenylmethylene]-2,5-cyclohexadien-1-ylidene]-N-methyl- & acetate shows negligible to slow hydrolysis.
Executive summary:

The half life of hydrolysis od test chemical Reaction mass of Methanaminium, N-[4-[[4-(dimethylamino)phenyl]phenylmethylene]-2,5-cyclohexadien-1-ylidene]-N-methyl- & acetate

was estimated by using EPI suite (2018). The half life of hydrolysis of test chemical was estimated to be 16.3 days and 1.63 days at pH 7 and 8 respectively. On the basis of this half life value it can be concluded that test chemical Reaction mass of Methanaminium, N-[4-[[4-(dimethylamino)phenyl]phenylmethylene]-2,5-cyclohexadien-1-ylidene]-N-methyl- & acetate

shows negligible to slow hydrolysis.

Description of key information

The half life of hydrolysis od test chemical Reaction mass of Methanaminium, N-[4-[[4-(dimethylamino)phenyl]phenylmethylene]-2,5-cyclohexadien-1-ylidene]-N-methyl- & acetate

was estimated by using EPI suite (2018). The half life of hydrolysis of test chemical was estimated to be 16.3 days and 1.63 days at pH 7 and 8 respectively. On the basis of this half life value it can be concluded that test chemical Reaction mass of Methanaminium, N-[4-[[4-(dimethylamino)phenyl]phenylmethylene]-2,5-cyclohexadien-1-ylidene]-N-methyl- & acetate

shows negligible to slow hydrolysis.

Key value for chemical safety assessment

Half-life for hydrolysis:
16.3 d
at the temperature of:
25 °C

Additional information

Predicted data study for target chemical Reaction mass of Methanaminium, N-[4-[[4-(dimethylamino)phenyl]phenylmethylene]-2,5-cyclohexadien-1-ylidene]-N-methyl- & acetate and supporting experimental study for its read across chemical have been reviewed for hydrolysis endpoint and their results are summarized below.

 

In first predicted data study the half life of hydrolysis of test chemical Reaction mass of Methanaminium, N-[4-[[4-(dimethylamino)phenyl]phenylmethylene]-2,5-cyclohexadien-1-ylidene]-N-methyl- & acetate

was estimated by using EPI suite (2018). The half life of hydrolysis of test chemical was estimated to be 16.3 days and 1.63 days at pH 7 and 8 respectively. On the basis of this half life value it can be concluded that test chemical Reaction mass of Methanaminium, N-[4-[[4-(dimethylamino)phenyl]phenylmethylene]-2,5-cyclohexadien-1-ylidene]-N-methyl- & acetate

shows negligible to slow hydrolysis.

 

Next study was experimental study in this study the hydrolysis rate conatant of test chemical estimated was 4.31e-11 cm3/mol/sec as this hydrolysis rate constant is very less this chemical shows negligible hydrolysis and it is also supported by data obtained from authoritative database ( HSDB) that this chemical lack hydrolyzable functional group and does not undergo hyrolysis.

 

On the basis of results of both the studies mentioned above it can be concluded that test chemical

Reaction mass of Methanaminium, N-[4-[[4-(dimethylamino)phenyl]phenylmethylene]-2,5-cyclohexadien-1-ylidene]-N-methyl- & acetate shows negligible to slow hydrolysis.