(±)-dihydro-3-hydroxy-4,4-dimethylfuran-2(3H)-one

Water solubility

Administrative data

Endpoint:

water solubility

Type of information:

experimental study

Adequacy of study:

key study

Study period:

03-09-2009 / 27-10-2009

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

other: see 'Remark'

Remarks:

Study conducted in compliance with agreed protocols, with no or minor deviations from standard test guidelines and/or minor methodological deficiencies, which do not affect the quality of the relevant results. The study report was conclusive, done to a valid guideline and the study was conducted under GLP conditions.

Data source

Reference

Reference Type:

study report

Title:

Unnamed

Year:

2009

Report date:

2009

Materials and methods

Test guideline

Test guideline 1

Qualifier:

according to guideline

Guideline:

OECD Guideline 105 (Water Solubility)

Deviations:

no

Test guideline 2

Qualifier:

according to guideline

Guideline:

EU Method A.6 (Water Solubility)

Deviations:

no

GLP compliance:

yes

Type of method:

flask method

Test material

Test material information

Constituent 1

Reference substance name:

RS-Pantolactone

IUPAC Name:

RS-Pantolactone

Constituent 2

Reference substance name:

(±)-dihydro-3-hydroxy-4,4-dimethylfuran-2(3H)-one

EC Number:

201-210-7

EC Name:

(±)-dihydro-3-hydroxy-4,4-dimethylfuran-2(3H)-one

Cas Number:

79-50-5

Molecular formula:

C6H10O3

IUPAC Name:

(±)-dihydro-3-hydroxy-4,4-dimethylfuran-2(3H)-one

Details on test material:

- Name of test material (as cited in study report): RS-Pantolactone
- Physical state: Waxy Solid, white
- Analytical purity: 99.7 %
- Lot/batch No.: Bx TL 00905003
- Expiration date of the lot/batch: May 2011
- Storage condition of test material: At room temperature at about 20 °C

Results and discussion

Water solubility

Water solubility:

> 583.38 g/L

Temp.:

22 °C

pH:

2.86

Details on results:

The difference between the analytical and visual determined water solubility is caused by the purity of the test item and an increased volume after addition of the test item. Based on a visual determination the water solubility was found to be >1.0 kg/L.

Any other information on results incl. tables

The saturation concentration of RS-Pantolactone at room temperature was estimated by a simplified flask method.

 

After mixing a total of 10.6 g of test item in 10 mL of water (this corresponds to a visual determined solubility of > 1.0 kg), a colorless solution was obtained. By visual judgment the test item was complete dissolved. It was not possible to prepare a saturated solution before obtaining a 1:1 mixture, therefore, the water solubility of RS-Pantolactone might be higher as determined in the present study. The test was performed in duplicate. The determination of the concentration in the above mentioned solution was confirmed by HPLC with respect to a calibration curve.

 

The r² fit of the calibration curve was 0.9980 (optimum 1.0000). This reflects the linearity of the HPLC-system within the calibration range of10.454 µg/mL to 104.54 µg/mL of the test item.

Results of the Water Solubility of RS-Pantolactone

 

Initial Weight of Test Item	Water added	Dilution Factor	Peak Area	Measured Concentration	Solubility in water	Mean
[g]	[mL]			[µg/mL]	[g/L]	[g/L]
10.61	10	10000	14018	57.55	575.46	583.38
10.72	10	10000	14402	59.13	591.29

 

The tabulated values represent rounded results, which were obtained by calculation using the exact raw data

Applicant's summary and conclusion

Conclusions:

Interpretation of results (migrated information): very soluble (> 10000 mg/L)
During this study the water solubility of RS-Pantolactone at room temperature was determined using a simplified flask method and was found to be

> 583.38 g/L

The difference between the analytical and visual determined water solubility is caused by the purity of the test item and an increased volume after addition of the test item. Based on a visual determination the water solubility was found to be >1.0 kg/L.

Executive summary:

During this study the water solubility of RS-Pantolactone at room temperature was determined using a simplified flask method and was found to be

 

> 583.38 g/L

 

The difference between the analytical and visual determined water solubility is caused by the purity of the test item and an increased volume after addition of the test item. Based on a visual determination the water solubility was found to be >1.0 kg/L.