Reaction mass of (3R)-3-methyl-5-[(1R,3R)-2,2,3-trimethylcyclopentyl]pentan-2-one and (3S)-3-methyl-5-[(1R,3R)-2,2,3-trimethylcyclopentyl]pentan-2-one

Hydrolysis

Administrative data

Endpoint:

hydrolysis

Type of information:

experimental study

Adequacy of study:

key study

Study period:

Experimental Starting Date: 10 June 2014 Experimental Completion Date: 20 December 2014

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

other: see 'Remark'

Remarks:

Study conducted in compliance with agreed protocols, with no or minor deviations from standard test guidelines and/or minor methodological deficiencies, which do not affect the quality of the relevant results. The study report was conclusive, done to a valid guideline and the study was conducted under GLP conditions.

Data source

Reference

Reference Type:

study report

Title:

Unnamed

Year:

2015

Report date:

2015

Materials and methods

Test guideline

Test guideline 1

Qualifier:

according to guideline

Guideline:

OECD Guideline 111 (Hydrolysis as a Function of pH)

Deviations:

no

Test guideline 2

Qualifier:

according to guideline

Guideline:

EU Method C.7 (Degradation: Abiotic Degradation: Hydrolysis as a Function of pH)

Deviations:

no

GLP compliance:

yes

Test material

Test material information

Constituent 1

Reference substance name:

NACET00502

IUPAC Name:

NACET00502

Constituent 2

Reference substance name:

119464-63-0 (planar)

IUPAC Name:

119464-63-0 (planar)

Test material form:

other: Clear to Pale Yellow Liquid

Details on test material:

Common/Commercial Name: NACET00502
Chemical Name: 3-methyl-5-((1R)-2,2,3-trimethylcyclopentyl)pentane-2-one
CAS Number: 119464-63-0 (planar)
Appearance/Physical State: Clear to Pale Yellow Liquid
Batch: S-13-11-1
Purity: 98.5%
Expiry Date: 24 December 2015
Storage Conditions: Room temperature in the dark

Radiolabelling:

no

Study design

Estimation method (if used):

Not used.

Duration of test

Duration of test 1

Duration:

381 h

pH:

4

Initial conc. measured:

0.004 g/L

Duration of test 2

Duration:

381 h

pH:

7

Initial conc. measured:

0.004 g/L

Duration of test 3

Duration:

381 h

pH:

9

Initial conc. measured:

0.004 g/L

Positive controls:

no

Negative controls:

no

Statistical methods:

Not specified.

Results and discussion

Transformation products:

not specified

Dissipation DT50 of parent compound

Dissipation DT50 of parent compound 1

pH:

4

Temp.:

25 °C

DT50:

> 1 yr

Type:

other:

Dissipation DT50 of parent compound 2

pH:

7

Temp.:

25 °C

DT50:

> 1 yr

Type:

other:

Dissipation DT50 of parent compound 3

pH:

9

Temp.:

25 °C

DT50:

> 1 yr

Type:

other:

Any other information on results incl. tables

Results

Please see Attachment 1 of this Summary for the Results section of the study, IUCLID will not allow the vast amount of data within this section.

Validation

The linearity of the detector response with respect to concentration was assessed over the nominal concentration range of 0.8 to 4.0 mg/L. The results were satisfactory with correlation coefficients (r) of≥0.992 being obtained.

Applicant's summary and conclusion

Validity criteria fulfilled:

yes

Conclusions:

The estimated half-life at 25°C of the test material at pH 4, 7 and 9 is greater than 1 year.

Executive summary:

The determination was carried out using a procedure designed to be compatible with Method C7 Abiotic Degradation, Hydrolysis as a Function of pH of Commission Regulation (EC) No 440/2008 of 30 May 2008 and Method 111 of the OECD Guidelines for Testing of Chemicals, 13 April 2004.

 

The test system used sterile buffer solutions at pH’s 4.0, 7.0 and 9.0.

Conclusion

The estimated half-lives at 25 °C (due to hydrolysis) of the test item are shown in the following table:

 

Table 3.29

 

pH	Estimated half-life at 25 °C
4	> 1 year
7	> 1 year
9	> 1 year