3-methylcyclopentadecan-1-one

Water solubility

Link to relevant study record(s)

Reference

Endpoint:

water solubility

Type of information:

experimental study

Adequacy of study:

key study

Study period:

22 April to 02 May 2016

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Remarks:

The study was conducted according to an internationally recognised method, and under GLP. No deviation was reported. Test substance is adequately specified with purity. Therefore full validati on applies.

Qualifier:

according to guideline

Guideline:

OECD Guideline 105 (Water Solubility)

Deviations:

no

Qualifier:

according to guideline

Guideline:

EU Method A.6 (Water Solubility)

Deviations:

no

Qualifier:

according to guideline

Guideline:

other: Letinski et al., 2002. Slow-stir water solubility measurements of selected alcohols and diesters, Chemosphere 48: 257-265.

Qualifier:

according to guideline

Guideline:

other: OECD-Guideline 123 for Testing of Chemicals, Partition Coefficient (1-Octanol/Water): Slow-Stirring Method (2006)

Principles of method if other than guideline:

Not applicable

GLP compliance:

yes (incl. QA statement)

Remarks:

inspected on June 3 to 5, 2013 / signed on February 01, 2016

Type of method:

flask method

Specific details on test material used for the study:

STABILITY AND STORAGE CONDITIONS OF TEST MATERIAL
- Storage condition of test material: Room temperature, protected from light, in the tightly closed original container
- Stability under test conditions: Stable

Key result

Water solubility:

430 µg/L

Conc. based on:

test mat.

Loading of aqueous phase:

0.91 g/L

Incubation duration:

96 h

Temp.:

20 °C

pH:

6

Remarks on result:

other: 0.1% v/v (corresponding to approx. 0.91 g active ingredient/L)

Details on results:

Tyndall effect: negative in all three replicates of sampling of equilibrium.
After 42.4 h of incubation at 20 ± 0.5 °C, a regression graph of the concentration of substance in water against time yielded a slope not significantly different from zero and five consecutive samples had a variation of less than 15%, showing that it reached equilibrium.

Table 4.8/1: Water Solubility Results at 20 °C

 

Sampling of equilibrium	Incubation time^1(h)	Calculated Concentration^2(µg/L)			Overall
		Replicate 1	Replicate 2	Replicate 3	NA
1	42.40	460	445	443
2	47.40	476	400	420
3	65.87	405	409	371
4	71.07	410	396	415
5	89.87	476	443	469
6	94.90	437	426	432
Mean		444	420	425	430
Deviation (%)		18^3	12^3	26^3	5.8^4

 

¹= Time after achieving the test temperature of 20 ± 0.5 °C

²= Dilution factor of 1000 and exact weight of the external standard taken into account

³= Calculation according to formula (1)

⁴= Calculation according to formula (2)

 

Regression analysis for both replicates demonstrated that the slope of the regression line of the water solubility of six successive samples was not significantly different from zero.

 

Validity Criteria

Repeatability

The slope of the concentration vs. time regression graph was statistically not significantly different from zero (minimum of five samples).

The concentration measured for each replicate sampling did not differ by more than 30 % (minimum of five samples).

The determined solubilities of the three test vessels did not differ by more than 15 %.

Temperatures

Temperatures were kept constant within ± 0.5 °C

Conclusions:

Low solubility (< 1 mg/L).

Executive summary:

The water solubility of test item was determined under GLP according to OECD 105 guideline and EU A6 guideline, flask method, modified with slow stirring approach.

The study was conducted in triplicate vessels, with pre-incubation at 30 ± 0.5 °C for 72 h, and at least 24 h incubation after reduction to test temperature of 20 ± 0.5 °C before the first sampling. Further samplings were performed after time intervals of at least 5 hours.

The test substance was extracted with SPME, and analysed by validated GC-MS method.

After 42.4 h of incubation, five consecutive samples had a variation of less than 15%, showing that it reached equilibrium.

The water solubility of the test item was determined to be 430 µg/L at 20 °C, pH 6.

Description of key information

Low solubility (< 1 mg/L).

Equilibrium reached after 72h pre-incubation at 30°C + 42h equilibration at 20°C.

pH of saturated solution: 6.0.

Key value for chemical safety assessment

Water solubility:

0.43 mg/L

at the temperature of:

20 °C

Additional information

A fully reliable experimental study, conducted according to OECD/EU method and under GLP, is available. It is considered as a key study. The result is retained as key data.