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Environmental fate & pathways

Hydrolysis

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Reference
Endpoint:
hydrolysis
Type of information:
experimental study
Adequacy of study:
key study
Study period:
24 November 2015 to 6 September 2016
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
accepted calculation method
Qualifier:
according to guideline
Guideline:
OECD Guideline 111 (Hydrolysis as a Function of pH)
Version / remarks:
Calculation metod
Deviations:
no
GLP compliance:
yes (incl. QA statement)
Radiolabelling:
no
Analytical monitoring:
no
Estimation method (if used):
Consideration of the chemical structure and physical properties of the test material would lead to difficulties in determining a reliable half-life for the hydrolysis test. An actual value for the water solubility was not possible to ascertain, which is required for this test. In addition to this the test material is a mixture of compounds, including triethanolamine, which is volatile and under the test conditions could not be kept in solution due to its volatility. A test method for all the components was not available that would be required if the test was performed.

On this basis it was not technically feasible to perform the test. Based on this it was decided calculate hydrolysis values using the Estimation Program Interface EPI ver. 4.1.

Calculated Values
Calculated values for the hydrolysis were determined for each of the specified constituents of the test substance stated in information provided by the Sponsor.

The rate of hydrolysis was predicted using the Estimation Program Interface (EPI ver. 4.1) developed by the United States Environmental Protection Agency (US EPA) (US EPA 2012). EPI Suite is used in the US EPA Pollution Prevention framework for the review of pre-manufacturing notice chemicals under the Toxic Substance Control Act (TSCA) and for the evaluation of the potential for chemicals to have persistent, bioaccumulative and toxic properties. The programs within EPI Suite are able to predict physical chemical properties from chemical structure (in SMILES notation), chemical name or CAS number entries. The following program was used to calculate hydrolysis:

- HYDROWIN: Estimates aqueous hydrolysis rate constants and half-lives of a variety of chemical structure classes for which hydrolysis may be significant.

HYDROWIN™ estimates acid- and base-catalysed rate constants for esters, carbamates, epoxides, halomethanes, and certain alkyl halides. Therefore, if any of these functional groups are not present, HYDROWIN™ does not return an estimated hydrolysis constant.

Calculated values for the hydrolysis were determined for each of the specified constituents of the test substance stated in information provided by the Sponsor.
Transformation products:
not measured
pH:
8
DT50:
70.837 d
Type:
not specified
Remarks on result:
other: Estimation
pH:
7
DT50:
5.818 yr
Type:
not specified
Remarks on result:
other: Estimated
Details on results:
The calculated hydrolysis values ranged from T1/2 = 70.837 days (at pH 8) for fatty acids, tallow, triester of triethanolamine to T1/2 = 5.818 years (at pH 7) for fatty acids, tallow, diester of triethanolamine and fatty acids, tallow, triester of triethanolamine.

Table 1. Calculated Values for Fatty Acids, Tallow, Monoester of Triethanolamine

Common name

log Kow

R = C14:0

T1/2 = 212.511 days (pH 8)

T1/2=5.818 years (pH 7)

R = C16:0

T1/2 = 212.511 days (pH 8)

T1/2=5.818 years (pH 7)

R = C16:1

 T1/2 = 212.511 days (pH 8)

T1/2=5.818 years (pH 7)

R = C18:0

T1/2 = 212.511 days (pH 8)

T1/2=5.818 years (pH 7)

R = C18:1

 T1/2 = 212.511 days (pH 8)

T1/2=5.818 years (pH 7)

R = C18:2

T1/2 = 212.511 days (pH 8)

T1/2=5.818 years (pH 7)

R = C18:3

T1/2 = 212.511 days (pH 8)

T1/2=5.818 years (pH 7)

R1= C14:0

R2 = C18:0

T1/2 = 106.256 days (pH =8)

T1/2 = 2.909 years (pH = 7)

R1 = C14:0

R2 = C18:3

T1/2 = 106.256 days (pH =8)

T1/2 = 2.909 years (pH = 7)

R1= C16:1

R2=C18:3

T1/2 = 106.256 days (pH =8)

T1/2 = 2.909 years (pH = 7)

R1 = C14:0

R2 = C16:0

R3 = C18:0

T1/2 = 70.837 days (pH8)

T1/2=1.939 years (pH 7)

R1 = C14:0

R2 = C16:1

R3 = C18:1

T1/2 = 70.837 days (pH8)

T1/2=1.939 years (pH 7)

R1 = C14:0

R2 = C16:1

R3 = C18:3

T1/2 = 70.837 days (pH8)

T1/2=1.939 years (pH 7)

Validity criteria fulfilled:
yes
Conclusions:
The hydrolysis results ranged T1/2 = 70.837 days (at pH 8) to T1/2 = 5.818 years (at pH 7).
Executive summary:

The hydrolysis and the Effect of pH of the test material was investigated in a study which was performed under GLP conditions and in accordance with the standardised guideline OECD 111.

Due to the characteristics of the test substance, it was not possible to determine experimental values for hydrolysis. It was decided that estimated values would be calculated using appropriate software. The rate of hydrolysis was predicted using the Estimation Program Interface (EPI ver. 4.1) developed by the United States Environmental Protection Agency (US EPA) (US EPA 2012). EPI Suite is used in the US EPA Pollution Prevention framework for the review of pre-manufacturing notice chemicals under the Toxic Substance Control Act (TSCA) and for the evaluation of the potential for chemicals to have persistent, bioaccumulative and toxic properties. The programs within EPI Suite are able to predict physical chemical properties from chemical structure (in SMILES notation), chemical name or CAS number entries. The program used to calculate hydrolysis was HYDROWIN which estimates aqueous hydrolysis rate constants and half-lives of a variety of chemical structure classes for which hydrolysis may be significant.

The hydrolysis results ranged T1/2 = 70.837 days (at pH 8) to T1/2 = 5.818 years (at pH 7).

Description of key information

The hydrolysis results ranged T1/2 = 70.837 days (at pH 8) to T1/2 = 5.818 years (at pH 7).

Key value for chemical safety assessment

Additional information

The hydrolysis and the Effect of pH of the test material was investigated in a study which was performed under GLP conditions and in accordance with the standardised guideline OECD 111.

Due to the characteristics of the test substance, it was not possible to determine experimental values for hydrolysis. It was decided that estimated values would be calculated using appropriate software. The rate of hydrolysis was predicted using the Estimation Program Interface (EPI ver. 4.1) developed by the United States Environmental Protection Agency (US EPA) (US EPA 2012). EPI Suite is used in the US EPA Pollution Prevention framework for the review of pre-manufacturing notice chemicals under the Toxic Substance Control Act (TSCA) and for the evaluation of the potential for chemicals to have persistent, bioaccumulative and toxic properties. The programs within EPI Suite are able to predict physical chemical properties from chemical structure (in SMILES notation), chemical name or CAS number entries. The program used to calculate hydrolysis was HYDROWIN which estimates aqueous hydrolysis rate constants and half-lives of a variety of chemical structure classes for which hydrolysis may be significant.

The hydrolysis results ranged T1/2 = 70.837 days (at pH 8) to T1/2 = 5.818 years (at pH 7).