(2S)-1-isopropoxy-1-oxopropan-2-yl pivalate

Water solubility

Link to relevant study record(s)

Reference

Endpoint:

water solubility

Type of information:

experimental study

Adequacy of study:

key study

Study period:

experimental phase from 2014-01-30 to 2014-02-04

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Remarks:

The study was conducted according to OECD/EU guideline, and under GLP. Deviation was not considered significant. Test substance is adequately specified with purity. Therefore full validation applies.

Qualifier:

according to guideline

Guideline:

OECD Guideline 105 (Water Solubility)

Qualifier:

according to guideline

Guideline:

EU Method A.6 (Water Solubility)

Principles of method if other than guideline:

(not applicable)

GLP compliance:

yes (incl. QA statement)

Remarks:

inspected on June 3 to 5, 2013 / signed on November 5, 2013

Type of method:

flask method

Key result

Water solubility:

492 mg/L

Conc. based on:

test mat. (dissolved fraction)

Loading of aqueous phase:

2.2 g/L

Incubation duration:

ca. 24 - ca. 72 h

Temp.:

20 °C

pH:

ca. 4.7

Details on results:

The analytical method was validated and tested with satisfactory results in regard to linearity, accuracy, precision and specificity:
Linearity
System quantification limit = 5 mg/L
Range: 5 – 200 mg/L with r2 = 0.9997 (n=6)
Limit of Quantification = 25 mg/L.
Accuracy
Recovery rates were 102 % for the 1 x LOQ (RSD=1.18%) and 100 % for the 5 x LOQ (RSD=0.32 %).
Specificity
The analyte spectra of the samples matched with standard spectra with sufficient confirmation of identity. Response of blank values of control samples was significantly lower than 30% of LOQ.

Water solubility results

No Tyndall‑effects were observed for any sample during this study.

Sampling interval	Replicate No.	Measured pH	Water solubility [mg/L]
			Concentration (1)	Mean
24 h	1	4.7	487	486
	2	4.7	486
48 h	1	4.7	488	488
	2	4.7	487
72 h	1	4.7	500	501
	2	4.7	501
Mean (24 - 72 h)		4.7		492
Maximum deviation [%]				2.96

 (1) mean value of triplicate samples each double injected

Conclusions:

Moderately soluble (100-1000 mg/L)

Executive summary:

The water solubility of the test item was determined according to OECD 105 / EC A6 guidelines, under GLP, using the flask method, in double distilled water, at 20°C with preincubation at 30°C .

Equilibrium was considered achieved at first sampling interval (24h).

Analytical evaluation was performed using HPLC-DAD. The analytical method was validated with satisfactory results regarding linearity, limit of quantification, accuracy, precision and specificity.

The water solubility was determined to be 492 mg/L (20 °C, pH 4.7)

Description of key information

Moderately soluble. Equilibrium after 24h.
 pH of saturated solution: 4.7

Key value for chemical safety assessment

Water solubility:

492 mg/L

at the temperature of:

20 °C

Additional information

A fully reliable experimental study, conducted according to OECD/EC guidelines (flask method) and under GLP, is available. Therefore, it is considered as a key study, and the result is retained as key data.