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Environmental fate & pathways

Hydrolysis

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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 3H-Indolium, 2-[2-[4-[(2-cyanoethyl)methylamino]phenyl]ethenyl]-1,3,3-trimethyl- & acetate- Molecular formula: C23H26N3.C2H3O2- Molecular weight: 403.5231g/mole- Smiles : CC(=O)[O-].CC1(C2=CC=CC=C2[N+](=C1C=CC3=CC=C(C=C3)N(C)CCC#N)C)C- Inchl: 1S/C23H26N3.C2H4O2/c1-23(2)20-8-5-6-9-21(20)26(4)22(23)15-12-18-10-13-19(14-11-18)25(3)17-7-16-24;1-2(3)4/h5-6,8-15H,7,17H2,1-4H3;1H3,(H,3,4)/q+1;/p-1- Substance type: Organic- Physical state: Greenish lustourous 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 3H-Indolium, 2-[2-[4-[(2-cyanoethyl)methylamino]phenyl]ethenyl]-1,3,3-trimethyl- & 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 3H-Indolium, 2-[2-[4-[(2-cyanoethyl)methylamino]phenyl]ethenyl]-1,3,3-trimethyl- & acetate shows negligible to slow hydrolysis.
Executive summary:

The half life of hydrolysis od test chemical Reaction mass of 3H-Indolium, 2-[2-[4-[(2-cyanoethyl)methylamino]phenyl]ethenyl]-1,3,3-trimethyl- & 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 3H-Indolium, 2-[2-[4-[(2-cyanoethyl)methylamino]phenyl]ethenyl]-1,3,3-trimethyl- & acetate

shows negligible to slow hydrolysis.

Description of key information

The half life of hydrolysis of test chemical Reaction mass of 3H-Indolium, 2-[2-[4-[(2-cyanoethyl)methylamino]phenyl]ethenyl]-1,3,3-trimethyl- & 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 3H-Indolium, 2-[2-[4-[(2-cyanoethyl)methylamino]phenyl]ethenyl]-1,3,3-trimethyl- & acetate

shows negligible to slow hydrolysis.

Key value for chemical safety assessment

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

Additional information

The half life of hydrolysis of test chemical Reaction mass of 3H-Indolium, 2-[2-[4-[(2-cyanoethyl)methylamino]phenyl]ethenyl]-1,3,3-trimethyl- & 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 3H-Indolium, 2-[2-[4-[(2-cyanoethyl)methylamino]phenyl]ethenyl]-1,3,3-trimethyl- & acetate

shows negligible to slow hydrolysis.