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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:
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:
38 000 yr
Type:
other: estimated data
Remarks on result:
other: Other details not known

HYDROWIN Program (v2.00) Results:

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

SMILES : O=C(NCCO)CCCCCCCCCCC(O)CCCCCC

CHEM : Octadecanamide, 12-hydroxy-N-(2-hydroxyethyl)-

MOL FOR: C20 H41 N1 O3

MOL WT : 343.55

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

Hydrolyzable Function detected: Amides

-C-C(=O)-N-C

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

N-Methylacetamide - 38000

Validity criteria fulfilled:
not specified
Conclusions:
The estimated half-life of test chemical was determined to be 38000 yrs at pH 7.0 and at a temperature of 25ᵒC.
Executive summary:

HYDROWIN v2.00 program of Estimation Programs Interface (2018) prediction model was used to predict the hydrolysis half-life of test chemical. The estimated half-life of test chemical was determined to be 38000 yrs at pH 7.0 and at a temperature of 25ᵒC.

Description of key information

HYDROWIN v2.00 program of Estimation Programs Interface (2018) prediction model was used to predict the hydrolysis half-life of test chemical. The estimated half-life of test chemical was determined to be 38000 yrs at pH 7.0 and at a temperature of 25ᵒC.

Key value for chemical safety assessment

Half-life for hydrolysis:
38 000 yr
at the temperature of:
25 °C

Additional information

Predicted data of the test chemical and various 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 (2018), the hydrolysis half-life of test chemical was estimated. The estimated half-life of test chemical was determined to be 38000 yrs at pH 7.0 and at a temperature of 25ᵒC.

 

In a supporting study from authoritative database (2017), the half-life and base catalyzed second order hydrolysis rate constant was determined using a structure estimation method of the test chemical. The second order hydrolysis rate constant of test chemical was determined to be 0.030L/mol-sec with a corresponding half-lives of 7.3 yrs and 270 days at pH 7 and 8, respectively.

 

For the test chemical, the base catalyzed second order hydrolysis rate constant was determined using a structure estimation method of the test chemical (HSDB and PubChem, 2017). The second order hydrolysis rate constant of test chemical was determined to be 0.03L/mol-sec with a corresponding half-lives of 7.3 yrs and 266 days at pH 7 and 8, respectively.

 

On the basis of above results for test chemical, it can be concluded that the half-life value of test chemical was evaluated to be ranges from 266 days to 38000 yrs, respectively.

Hydrolysis endpoint can also be considered for waiver as per in accordance with column 2 of Annex VIII of the REACH regulation, testing for this endpoint is scientifically not necessary and does not need to be conducted since the test chemical is readily biodegradable in water.