Reaction mass of (E)-1-(3,6-dimethylcyclohex-3-en-1-yl)-2-methylpent-1-en-3-one and (E)-1-(4,6-dimethylcyclohex-3-en-1-yl)-2-methylpent-1-en-3-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:

Study conducted between 08 January 2019 and 17 May 2019

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

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)

Type of method:

flask method

Specific details on test material used for the study:

Identification: PG-RAW-90-032
Chemical name: Reaction mass of (E)-1-(3,6-dimethylcyclohex-3-en-1-yl)-2-methylpent-1-en-3-one and (E)-1-(4,6-dimethylcyclohex-3-en-1-yl)-2-methylpent-1-en-3-one
CAS numbers: 2248118-61-6, 2248118-60-5
Appearance/Physical state: clear, colourless liquid
Batch: RDRW 534-93
Purity: See SIID (Annex 2)
Expiry / Retest date: 01 November 2020
Storage conditions: ~4 °C, in the dark

Key result

Water solubility:

0.011 g/L

Conc. based on:

test mat.

Incubation duration:

24 h

Temp.:

20 °C

pH:

>= 6.9 - <= 7.3

Details on results:

Preliminary Test
The preliminary estimate of the water solubility at 20.0 ± 0.5 °C was 9.22 x 10-3 g/L. The solution had a pH of 6.4.

Definitive Test
The mean peak areas relating to the standard and sample solutions are shown in the following table:
Table 4
Solution Mean Peak Area
Standard 0.96 mg/L 2.254 x 105
Standard 1.03 mg/L 2.377 x 105
Matrix blank none detected.
Sample 1A 2.160 x 105
Sample 1B 2.118 x 105
Sample 2A 2.728 x 105
Sample 2B 2.576 x 105
Sample 3A 2.513 x 105
Sample 3B 2.551 x 105

The concentration (g/L) of test item in the sample solutions is shown in the following table:

Sample Number	Time Shaken at ~ 30 ºC (hours)	Concentration (g/L)	Solution pH
1	24	9.19 x 10^-3	7.3
2	48	1.14 x 10^-2	7.2
3	72	1.09 x 10^-2	6.9

Mean concentration:  1.05 x 10^-2g/L at 20.0 ± 0.5 ºC

1.1.1       Validation

The linearity of the detector response with respect to concentration was assessed over the nominal concentration range of 0.25 to 2 mg/L. The results were satisfactory with a correlation coefficient (r) of 0.999 being obtained.

Conclusions:

The water solubility of the test item has been determined to be 1.05 x 10-2 g/L of solution at 20.0 ± 0.5 °C.

Executive summary:

1.05 x 10^-2g/L of solution at 20.0 ± 0.5 °C, using the flask method, designed to be compatible with Method A.6 Water Solubility of Commission Regulation (EC) No 440/2008 of 30 May 2008 and Method 105 of the OECD Guidelines for Testing of Chemicals, 27 July 1995.

Description of key information

1.05 x 10^-2g/L of solution at 20.0 ± 0.5 °C, using the flask method, designed to be compatible with Method A.6 Water Solubility of Commission Regulation (EC) No 440/2008 of 30 May 2008 and Method 105 of the OECD Guidelines for Testing of Chemicals, 27 July 1995.

Key value for chemical safety assessment

Water solubility:

0.011 g/L

at the temperature of:

20 °C