1-(5-propyl-1,3-benzodioxol-2-yl)-1-ethanone

Hydrolysis

Link to relevant study record(s)

Reference

Endpoint:

hydrolysis

Type of information:

experimental study

Adequacy of study:

supporting study

Study period:

No data

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

comparable to guideline study with acceptable restrictions

Remarks:

This study was not performed according to GLP. However, this study is well documented and is considered reliable with restrictions.

Qualifier:

equivalent or similar to guideline

Guideline:

OECD Guideline 111 (Hydrolysis as a Function of pH)

Version / remarks:

13 April 2004

Deviations:

no

Principles of method if other than guideline:

The aim of the study is to assess the stability of the substance in a series of simple media simulating perfumery applications. The test media are standard aqueous buffers at pH 2, pH 5, pH 7, pH 8.5 and pH 12 containing 1% of non ionic surfactant Arkopal N150. The tests are done in accelerated conditions at 40 °C during ca. one month.

GLP compliance:

no

Specific details on test material used for the study:

No additional information

Radiolabelling:

no

Analytical monitoring:

yes

Details on sampling:

200 – 300 ppm of raw material are dissolved in the pH buffer containing the surfactant (Arkopal N 150) and put into storage in an oven at 40°C. Small aliquots of the test solution are extracted with an organic solvent (typically cyclohexane or ethyl acetate) containing a hydrocarbon standard (typically C12, C17 or C20) on a regular basis throughout the test (typically at time = 0, 0.25, 1, 2, 4, 7, 15, 21 and 28 days). The extracts are analyzed by GC-FID and the results are plotted as (Area/Area Std) expressed in [%]. The measurement at time = 0 is set at 100% and the succeeding measurements are calculated relatively to the time = 0 measurement. Therefore the curves represent the percentage of product remaining in the test solution at the time of analysis.

Buffers:

Buffer solutions:
pH 2 (± 0.1) buffer: Reference Handbook of Chemistry and Physics buffer type A
pH 5 (± 0.1) buffer: Reference Handbook of Chemistry and Physics buffer type C
pH 7 (± 0.1) buffer: Reference Handbook of Chemistry and Physics buffer type D
pH 8.5 (± 0.1) buffer: Reference Handbook of Chemistry and Physics buffer type F
pH 12 (± 0.1) buffer: Reference Handbook of Chemistry and Physics buffer type I

Estimation method (if used):

Not applicable

Details on test conditions:

No data

Duration:

28 d

pH:

2

Temp.:

40 °C

Initial conc. measured:

> 200 - < 300 other: ppm

Duration:

28 d

pH:

5

Temp.:

40 °C

Initial conc. measured:

> 200 - < 300 other: ppm

Duration:

28 d

pH:

7

Temp.:

40 °C

Initial conc. measured:

> 200 - < 300 other: ppm

Duration:

28 d

pH:

8.5

Temp.:

40 °C

Initial conc. measured:

> 200 - < 300 other: ppm

Duration:

28 d

pH:

12

Temp.:

40 °C

Initial conc. measured:

> 200 - < 300 other: ppm

Number of replicates:

1

Positive controls:

no

Negative controls:

no

Statistical methods:

None

Preliminary study:

No data

Test performance:

No data

Transformation products:

no

Details on hydrolysis and appearance of transformation product(s):

Results showed that the disappearance of the parent compound after 0.25 and 28 days at 40 °C and at any low pH (2 and 5) is less than 10 %. At neutral pH (pH 7.5), the parent compound disappears until 20% as of day 28. At highest pH(8.5 and 12), the parent compound rapidly disappears as of day 2 and 0.25 for pH 8.5 and 12, respectively .

% Recovery:

ca. 100

pH:

2

Temp.:

40 °C

Duration:

1 d

% Recovery:

ca. 97

pH:

2

Temp.:

40 °C

Duration:

28 d

% Recovery:

ca. 103

pH:

5

Temp.:

40 °C

Duration:

0.25 d

% Recovery:

ca. 100

pH:

5

Temp.:

40 °C

Duration:

28 d

% Recovery:

ca. 105

pH:

7

Temp.:

40 °C

Duration:

0.25 d

% Recovery:

ca. 92

pH:

7

Temp.:

40 °C

Duration:

7 d

% Recovery:

ca. 80

pH:

7

Temp.:

40 °C

Duration:

28 d

% Recovery:

ca. 105

pH:

8.5

Temp.:

40 °C

Duration:

0.25 d

% Recovery:

ca. 90

pH:

8.5

Temp.:

40 °C

Duration:

5 d

% Recovery:

ca. 37

pH:

8.5

Temp.:

40 °C

Duration:

28 d

% Recovery:

ca. 100

pH:

12

Temp.:

40 °C

Duration:

0 d

% Recovery:

ca. 75

pH:

12

Temp.:

40 °C

Duration:

0.25 d

% Recovery:

ca. 15

pH:

12

Temp.:

40 °C

Duration:

7 d

% Recovery:

ca. 3

pH:

12

Temp.:

40 °C

Duration:

28 d

Other kinetic parameters:

None

Details on results:

No additional information

Results with reference substance:

None

Validity criteria fulfilled:

not applicable

Conclusions:

The disappearance of the parent compound after 28 days at 40 °C and at environmentally relevant pH (comprised between 5 and 8.5) is comprised between 0 and 55 %. No half-life values were determined.

Executive summary:

Hydrolysis study was performed similar to OECD Guideline No. 111. The aim of the study is to assess the stability of the substance in a series of simple media simulating perfumery applications. The test media are standard aqueous buffers at pH 2, pH 5, pH 7, pH 8.5 and pH 12 containing 1% of non ionic surfactant (Arkopal N 150). The tests are done in accelerated conditions at 40 °C during 28 days.

200 – 300 ppm of raw material are dissolved in the pH buffer containing the surfactant (Arkopal N 150) and put into storage in an oven at 40°C. Small aliquots of the test solution are extracted with an organic solvent (typically cyclohexane or ethyl acetate) containing a hydrocarbon standard (typically C12, C17 or C20) on a regular basis throughout the test (typically at time = 0, 0.25, 1, 2, 4, 7, 15, 21 and 28 days). The extracts are analyzed by GC-FID and the results are plotted as (Area/Area Std) expressed in [%]. The measurement at time = 0 is set at 100% and the succeeding measurements are calculated relatively to the time = 0 measurement. Therefore the curves represent the percentage of product remaining in the test solution at the time of analysis.

 

The disappearance of the substance after 28 days at 40°C is circa 0% at pH 2 and 5.5, around 15% at pH 7.5, more than 55% at pH 8.5 and almost 100% disappearance at pH 12.

Description of key information

To assess the hydrolysis potential of the registered substance, a non-GLP stability test was performed on this substance with a method similar to OECD Guideline No. 111. The test media are standard aqueous buffers at pH 2, pH 5, pH 7, pH 8.5 and pH 12 containing 1% of non ionic surfactant (Arkopal N 150). The test is done in accelerated conditions at 40 °C during 28 days. The disappearance of the substance after 28 days at 40°C is circa 0% at pH 2 and 5.5, around 10% at pH 7.5, more than 55% at pH 8.5 and almost 100% disappearance at pH 12.