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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
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:
3 950 yr
Type:
other: estimated data
Remarks on result:
other: Other details not known
Details on results:
The Hydrolysis half life of test chemical at pH 7 is 3950 years at 25 oC temperature

HYDROWIN Program (v2.00) Results:

================================

SMILES : O=C(Nc(ccc(Nc(c(c(c(O)c1)C(=O)c(c2ccc3)c3)C2(=O))c1)c4)c4)C

CHEM   : Acetamide, N-[4-[(9,10-dihydro-4-hydroxy-9,10-dioxo-1-anthracenyl)amino]phenyl]

MOL FOR: C22 H16 N2 O4

MOL WT : 372.38

--------------------------- HYDROWIN v2.00 Results --------------------------

Hydrolyzable Function detected:  Amides

 -C-C(=O)-N-C

With the exception of a few halogenated acetamides, most amides    hydrolyze to acids extremely slowly at 25 degC and pH7 with half-lives measured in centuries. Electronegative groups on carbon or nitrogen greatly accelerate base catalyzed hydrolysis, but alkyl groups on nitrogen retard both acid and base catalyzed processes. No neutral hydrolysis is evident (Mabey and Mill, 1978).  Selected amideshalf-lives include:                      

 Half-Live (in years at 25C, pH7)        

Acetamide - 3950 years      

Validity criteria fulfilled:
not specified
Conclusions:
The estimated half-life of test chemical was determined to be 3950 yrs at pH 7.0 (at 25ᵒC) respectively, indicating that it is stable in water.
Executive summary:

HYDROWIN v2.00 program of Estimation Programs Interface (2011) prediction model was used to predict the hydrolysis half-life of test chemical. The estimated half-life of test chemical was determined to be 3950 yrs at pH 7.0 (at 25ᵒC) respectively, indicating that it is stable in water

Description of key information

HYDROWIN v2.00 program of Estimation Programs Interface prediction model was used to predict the hydrolysis half-life of test chemical. The estimated half-life of test chemical was determined to be 3950 yrs at pH 7.0 (at 25ᵒC) respectively, indicating that it is stable in water.

Key value for chemical safety assessment

Half-life for hydrolysis:
3 950 yr
at the temperature of:
25 °C

Additional information

Predicted data of the test chemical and various experimental supporting studies for its structurally similar read across substance were reviewed for the hydrolysis end point which are summarized as below:

 

In a prediction done using the HYDROWIN v2.00 program of Estimation Programs Interface (Modelling database, 2011) prediction model was used to predict the hydrolysis half-life of test chemical. The estimated half-life of test chemical was determined to be 3950 yrs at pH 7.0 (at 25ᵒC) respectively, indicating that it is stable in water

 

In a supporting weight of evidence study from handbook (2008) and secondary source, the half-life of the test chemical was determined at different pH range.The study was performed according to OECD Guideline 111 (Hydrolysis as a Function of pH) at a temperature of 25°C and pH 4, 7 and 9, respectively. Although the half-life value of test chemical was mentioned, but was reported to be stable at a pH 4, 7 and 9 at 25⁰C temperature. This indicates that the test chemical is hydrolytically stable.

 

For the test chemical, the half-life of the test chemical was determined (secondary source, 2001). The study was performed according to OECD Guideline 111 (Hydrolysis as a Function of pH). Percentage degradation of test chemical was determined to be 3.91%, 1.085% and 4.78% at pH 4.0, 7.0 and 9.0 & at a temperature of 50°C, respectively and the half-life value of test chemical was determined to be > 1 yr. Since the chemical is not degradable less than 10 % in this test condition, it is presumably stable in water. Thus based on this, test chemical is considered to be hydrolytically stable.

 

On the basis of the above results of the test chemical, it can be concluded that the test chemical is stable in water.