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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:
other: Modeling database
Principles of method if other than guideline:
Data is from HYDROWIN v2.00 of EPI suite.
GLP compliance:
not specified
Specific details on test material used for the study:
- Name of the test material (IUPAC name): Reaction mass of Methylium, tris[4-​(diethylamino)​phenyl]​-​ & acetate- Molecular weight: 515.7375 g/mol- Molecular formula: C33H45N3O2- Smiles: CCN(CC)C1=CC=C(C=C1)C(=C2C=CC(=[N+](CC)CC)C=C2)C3=CC=C(C=C3)N(CC)CC.CC(=O)[O-]- Inchl: 1S/C31H42N3.C2H4O2/c1-7-32(8-2)28-19-13-25(14-20-28)31(26-15-21-29(22-16-26)33(9-3)10-4)27-17-23-30(24-18-27)34(11-5)12-6;1-2(3)4/h13-24H,7-12H2,1-6H3;1H3,(H,3,4)/q+1;/p-1- Substance type: Organic- Physical state: Solid & liquid
Radiolabelling:
not specified
Analytical monitoring:
not specified
Estimation method (if used):
HYDROWIN v2.00
Positive controls:
not specified
Negative controls:
not specified
Transformation products:
not specified
Key result
pH:
7
Temp.:
25 °C
DT50:
2.9 yr
Type:
other: estimated data
Remarks on result:
other: Other details not known
Key result
pH:
8
Temp.:
25 °C
DT50:
0.29 yr
Type:
other: estimated data
Remarks on result:
other: Other details not known
Validity criteria fulfilled:
not specified
Conclusions:
The estimated half-life of Reaction mass of Methylium, tris[4-​(diethylamino)​phenyl]​-​ & acetate was determined to be 2.9 and 0.29 years at pH 7.0 and 8.0 (at 25ᵒC) respectively, indicating that it is not hydrolysable.
Executive summary:

HYDROWIN v2.00 program of Estimation Programs Interface prediction model was used to predict the hydrolysis half-life of test compound Reaction mass of Methylium, tris[4-​(diethylamino)​phenyl]​-​ & acetate. The estimated half-life of Reaction mass of Methylium, tris[4-​(diethylamino)​phenyl]​-​ & acetate was determined to be 2.9 and 0.29 years at pH 7.0 and 8.0 (at 25ᵒC) respectively, indicating that it is not hydrolysable.

Description of key information

HYDROWIN v2.00 program of Estimation Programs Interface prediction model was used to predict the hydrolysis half-life of test compound Reaction mass of Methylium, tris[4-​(diethylamino)​phenyl]​-​ & acetate. The estimated half-life of Reaction mass of Methylium, tris[4-​(diethylamino)​phenyl]​-​ & acetate was determined to be 2.9 and 0.29 years at pH 7.0 and 8.0 (at 25ᵒC) respectively, indicating that it is not hydrolysable.

Key value for chemical safety assessment

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

Additional information

HYDROWIN v2.00 program of Estimation Programs Interface prediction model was used to predict the hydrolysis half-life of test compound Reaction mass of Methylium, tris[4-​(diethylamino)​phenyl]​-​ & acetate. The estimated half-life of Reaction mass of Methylium, tris[4-​(diethylamino)​phenyl]​-​ & acetate was determined to be 2.9 and 0.29 years at pH 7.0 and 8.0 (at 25ᵒC) respectively, indicating that it is not hydrolysable.