3-hydroxypropyl octanoate

Water solubility

Link to relevant study record(s)

Reference

Endpoint:

water solubility

Type of information:

experimental study

Adequacy of study:

key study

Study period:

from 2020-02-24 to 2020-02-28

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Qualifier:

according to guideline

Guideline:

OECD Guideline 105 (Water Solubility)

Version / remarks:

1995

Deviations:

no

GLP compliance:

yes (incl. QA statement)

Type of method:

flask method

Key result

Water solubility:

808 mg/L

Conc. based on:

test mat.

Loading of aqueous phase:

3 000 mg/L

Incubation duration:

>= 24 - <= 72 h

Temp.:

20 °C

pH:

>= 5.77 - <= 5.89

Details on results:

According to the test guideline, the result found after a defined incubation time should not differ by more than 15 % from the result found after a shorter incubation time. After 48 hours in comparison to the 24 hours results, the measured concentration was stable compared to 24 hours incubation and slightly increased after 72 hours shaking (+3 %). The acceptance criterium was therefore fulfilled and the study is valid.

Table 1: Data of the Performance of the Water Solubility Test

Sample No.	1	2	3	4	5	6
Weighed amount of test item [mg]	147.27	153.04	160.31	160.60	151.87	151.63
Volume of water [mL]	50	50	50	50	50	50
Loading rate [mg/L]	2945	3061	3206	3212	3037	3033
Agitation time at 30°C [hours]	24	24	48	48	72	72
Equilibration time at 20°C [hours]	24	24	24	24	24	24
pH value of test item solution	5.89	5.84	5.79	5.87	5.77	5.83

The tabulated values of the samples represent rounded results obtained by calculation using the exact raw data.

Table 2: Results for Determination of Water Solubility

Shaking Time	Measured Concentration of Test Item in the Sample x	Sample Preparation Factor F	Concentration of Test Item Determined in the Sample c	Water Solubility Mean Value	Overall Mean ± Std. Dev.
[Hours]	[mg/L]		[mg/L]	[mg/L]	[mg/L]
24	383	2.0	767	802	808 ± 32
	419	2.0	837
48	416	2.0	832	801
	385	2.0	770
72	417	2.0	833	821
	405	2.0	809

Conclusions:

The mean water solubility of the test item was determined to be 808 ± 32 mg/L (mean ± standard deviation) at 20 °C at pH values ranging from 5.77 to 5.89.

Executive summary:

A study was conducted according to OECD Test Guideline 105 (1995) using the Shake Flask method. After a shaking time of 24 hours, 48 hours and 72 hours, respectively, at 30 °C, the samples were equilibrated for another 24 hours at 20 °C. Afterwards, the samples were centrifuged, diluted and analyzed by HPLC with UV-detection. The water solubility of the test item was determined to be 808 ± 32 mg/L at 20 °C at pH values ranging from 5.77 to 5.89.

Description of key information

The mean water solubility of the test item was determined to be 808 ± 32 mg/L (mean ± standard deviation) at 20 °C at pH values ranging from 5.77 to 5.89.

Key value for chemical safety assessment

Water solubility:

808 mg/L

at the temperature of:

20 °C

Additional information

A study was conducted according to OECD Test Guideline 105 (1995) using the Shake Flask method. After a shaking time of 24 hours, 48 hours and 72 hours, respectively, at 30 °C, the samples were equilibrated for another 24 hours at 20 °C. Afterwards, the samples were centrifuged, diluted and analyzed by HPLC with UV-detection. The water solubility of the test item was determined to be 808 ± 32 mg/L at 20 °C at pH values ranging from 5.77 to 5.89.