(5E)-3,5-dimethyloct-5-en-4-ol

Water solubility

Link to relevant study record(s)

Reference

Endpoint:

water solubility

Type of information:

experimental study

Adequacy of study:

key study

Study period:

19-03-2018 to 24-03-2018

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

other: Guideline study performed under GLP. All relevant validity criteria were met.

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:

inspected: June 2016; signature: January 2017

Type of method:

flask method

Water solubility:

429 mg/L

Conc. based on:

test mat.

Temp.:

20 °C

pH:

4.4

Remarks on result:

other: Mean of 24, 48 and 72 h: deviation between replicates was: 8.4%

Preliminary test

The solubility was determined to be 444 mg/L (mean value of both aliquots).For the definitivetest, the water system was changed to purified water (18.2 MOhm/cm) from double distilled water.

 

Definitive test:

The solubility of the test item in double distilled water was determined employing the flask method slow stirring approach at 20 ± 0.5 °C with preincubation at 30 ± 0.5 °C. The water solubility was respectively at pH 4.4:

Table 1.0. Water Solubility Results

Preincubation time	Replicate No.	Test Item [mg/L]
		Concentration #1), # 3)	Mean
24 h	1	442	449
	2	455
48 h	1	424	424
	2	423
72 h	1	412	414
	2	415
Mean (24 - 72 h)			429
Deviation [%] (24 - 72 h) #2)			8.4%

#1) Mean value of two injections, dilution factor of 5000 and exact weight of the standard taken into account

#2) Calculated according to formula 1

#3) The content was quantified using a calibration curve with only 4 calibration points in the range of 40 – 100 µg/L. This was deemed to be acceptable, as the linearity for the range of 10 – 100 µg/L was verified during the method validation and additionally the content of the samples was in the shortened calibration range.

 

Formula 1:

Deviation (%) = 100 x (maximum value - minimum value) / minimum value

 

Temperatures were kept constant within ± 0.5 °C. The determined solubilities for each preincubation time did not differ by more than 15 %. The analytical method (GC MS, external standard) for the determination of the test item was validated and tested with satisfactory results in regard to linearity, accuracy, precision and specificity.

Conclusions:

Interpretation of results: moderately soluble (100-1000 mg/L)
The test item water solubility was determined to be 429 mg/L of solution at pH 4.4 and 20.0 °C

Executive summary:

The water solubility of the substance was determined according to the flask method: OECD Method 105 and EU Method A.6 in accordance with GLP. Determinations were conducted using preincubation with a stirring rate of 300 rpm at 30 ± 0.5 °C, then 24 hours equilibration with a stirring rate of 100 rpm for at 20 ± 0.5 °C prior to sampling. The analytical method (GC MS, external standard) for the determination of the test item was validated and tested with satisfactory results in regard to linearity, accuracy, precision and specificity. The mean water solubility of the substance was determined to be 429 mg/L of solution at pH 4.4 and 20.0 °C.

Description of key information

Water Solubility: 429 mg/L at pH 4.4 and 20 °C, OECD TG 105, 2018

Key value for chemical safety assessment

Water solubility:

429 mg/L

at the temperature of:

20 °C

Additional information

Key study : EU Method A.6, 2018 : The water solubility of the substance was determined according to the flask method: OECD Method 105 and EU Method A.6 in accordance with GLP. Determinations were conducted using preincubation with a stirring rate of 300 rpm at 30 ± 0.5 °C, then 24 hours equilibration with a stirring rate of 100 rpm for at 20 ± 0.5 °C prior to sampling. The analytical method (GC MS, external standard) for the determination of the test item was validated and tested with satisfactory results in regard to linearity, accuracy, precision and specificity. The mean water solubility of the substance was determined to be 429 mg/L of solution at pH 4.4 and 20.0 °C.