4-methyl-6-phenyl-2-hexanol

Water solubility

Link to relevant study record(s)

Reference

Endpoint:

water solubility

Type of information:

experimental study

Adequacy of study:

key study

Study period:

2015

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 2013; signature: November 2013

Type of method:

flask method

Water solubility:

303 mg/L

Temp.:

20 °C

pH:

6.6

Remarks on result:

other: mean of 24, 48 and 72 h in duplicate measurements tested ; (n =6)

Preliminary test:

A non-GLP preliminary test was performed to determine the application dose to be used in the definitive study. For this purpose, nominal 10 mg (actual: 10.6 mg) of the test item was weighed into a measuring cylinder (100 mL) and gradually filled with double distilled water and afterwards transferred quantitatively into a 500 mL measuring flask and filled up to volume with stirring over a weekend and a subsequent check for Tyndall effects. The solubility was determined to be in the range of 0.0212 – 0.106 g/L; no Tyndall effect was observed at 0.0212 g/L.

 

Definitive test:

The solubility of the test item in double distilled water was determined employing the flask method at 20 ± 0.5 °C with preincubation at 30 ± 0.5 °C. The water solubility was respectively at pH 6.6:

Table 1. Water solubility

Preincubation time	Replicate No.	Test substance [mg/L]
		Concentration (1)	Mean
24 h	1	315	295
	2	275
48 h	1	318	311
	2	305
72 h	1	303	302
	2	302
Mean (24 - 72 h)			303
Deviation [%] (24 - 72 h)			5.6

(1) Mean value of double injections, dilution factor of 16 and exact weights taken into account

 

Temperatures were kept constant within ± 0.5 °C. The determined solubilities of the two test vessels did not differ by more than 15 %. The analytical method (HPLC DAD, 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 substance water solubility was determined to be 303 mg/L at pH 6.6 and 20.0 °C.

Executive summary:

The water solubility of the substance was determined according to OECD Method 105 and EU Method A.6 in accordance with GLP. Determinations with preincubation at 30 ± 0.5 °C and stirring rate of 300 rpm for 24, 48 and 72 hours respectively. After preincubation the temperature was deuced to the test temperature of 20 ± 0.5 °C for 24 h with stirring at approx. 100 rpm. The analytical method (HPLC DAD, 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 concentration measured at each sampling time did not differ by more than 15% and the temperature was kept constant to within ± 0.5 °C. Under the conditions of this study, the mean water solubility of the substance was determined to be 303 mg/L at 20 ± 0.5 °C and pH 6.6.

Description of key information

Water Solubility: 303 mg/L at pH 6.6 and 20 °C, flask method - OECD TG 105, 2016

Key value for chemical safety assessment

Water solubility:

303 mg/L

at the temperature of:

20 °C

Additional information

Key study: EU Method A.6, 2016 : The water solubility of the substance was determined according to OECD Method 105 and EU Method A.6 in accordance with GLP. Determinations with preincubation at 30 ± 0.5 °C and stirring rate of 300 rpm for 24, 48 and 72 hours respectively. After preincubation the temperature was deuced to the test temperature of 20 ± 0.5 °C for 24 h with stirring at approx. 100 rpm. The analytical method (HPLC DAD, 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 concentration measured at each sampling time did not differ by more than 15% and the temperature was kept constant to within ± 0.5 °C. Under the conditions of this study, the mean water solubility of the substance was determined to be 303 mg/L at 20 ± 0.5 °C and pH 6.6.