1-(5,5-dimethyl-1-cyclohexen-1-yl)pent-4-en-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:

17 March to 18 April 2017

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Remarks:

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

GLP compliance:

yes (incl. QA statement)

Remarks:

UK GLP compliance programme (inspected on 05 July 2016 / signed on 28 October 2016)

Type of method:

flask method

Key result

Water solubility:

0.056 g/L

Conc. based on:

test mat.

Loading of aqueous phase:

5 g/L

Incubation duration:

72 h

Temp.:

20 °C

pH:

>= 5.8 - <= 5.9

Preliminary Test

The preliminary estimate of water solubility was approximately 5 x 10^-2 g/L (50 mg/L) at 20 °C.

 

Main Test

Table 4.8/2: Concentration (g/L) of test item in the sample solutions

 

Sample number	Time shaken at ~ 30 ºC (hours)	Time equilibrated at 20 ºC (hours)	Concentration (g/L)	Mean Concentration (g/L)	Solution pH
1A	24	24.25	5.75 x 10^-2	4.91 x 10^-2(49.1 mg/L)	5.9
1B	24	24.25	4.07 x 10^-2
2A	48	24.25	6.51 x 10^-2	6.45 x 10^-2(64.5mg/L)	5.8
2B	48	24.25	6.39 x 10^-2
3A	72	24.0	5.80 x 10^-2	5.50 x 10^-2(55.0 mg/L)	5.9
3B	72	24.0	5.20 x 10^-2

Mean concentration: 5.62 x 10^-2 g/L at 20.0 ± 0.5 ºC

Range: 4.07 x 10^-2 to 6.51 x 10^-2 g/L

Relative Standard Deviation: 13.8 % (S.D.7.7 x 10^-3 g/L)

 

Executive summary:

The water solubility of the test substance was measured under GLP according to OECD 105 / EU A6 guidelines, flask method. Three measurements were performed after 24, 48 and 72 h incubation at 20°C, with duplicate analysis by HPLC-UV. Equilibrium was found to be reached from 24 h, and the overall mean result was retained.

 

Mean concentration: 5.62 x 10^-2 g/L at 20.0 ± 0.5 ºC

Range: 4.07 x 10^-2 to 6.51 x 10^-2 g/L

Relative Standard Deviation: 13.8 % (S.D.7.7 x 10^-3 g/L)

 

The water solubility of the test item has been determined to be 56.2 mg/L of solution at 20.0°C, pH of saturated solution ca 5.9.

Description of key information

Slightly soluble, with equilibrium reached at 24h.

pH of saturated solution: ca 5.9

Key value for chemical safety assessment

Water solubility:

56.2 mg/L

at the temperature of:

20 °C

Additional information

A fully reliable experimental study, conducted according to a recognized OECD/EC method and under GLP, is available. It is considered as a key study. The result is retained as key data for purpose of CSA.