6-butyltetrahydro-2H-pyran-2-one

Water solubility

Administrative data

Endpoint:

water solubility

Type of information:

experimental study

Adequacy of study:

key study

Study period:

from 20 April 2018 to 14 June 2018

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Cross-reference

Reason / purpose for cross-reference:

reference to other study

Data source

Reference

Reference Type:

study report

Title:

Unnamed

Year:

2018

Report date:

2018

Materials and methods

Test guideline

Test guideline 1

Qualifier:

according to guideline

Guideline:

EU Method A.6 (Water Solubility)

Version / remarks:

2016

Deviations:

no

Test guideline 2

Qualifier:

according to guideline

Guideline:

OECD Guideline 105 (Water Solubility)

Version / remarks:

1995

Deviations:

no

Test guideline 3

Qualifier:

according to guideline

Guideline:

EPA OPPTS 830.7840 (Water Solubility)

Version / remarks:

1998

Deviations:

no

GLP compliance:

yes

Type of method:

flask method

Test material

Test material information

Constituent 1

Reference substance name:

6-butyltetrahydro-2H-pyran-2-one

EC Number:

221-974-5

EC Name:

6-butyltetrahydro-2H-pyran-2-one

Cas Number:

3301-94-8

Molecular formula:

C9H16O2

IUPAC Name:

6-butyloxan-2-one

Test material form:

liquid

Details on test material:

Appearance: Clear colourless to pale yellow liquid
Test item storage: In refrigerator (2-8°C)

Results and discussion

Water solubility

Key result

Water solubility:

6.21 g/L

Incubation duration:

24 h

Temp.:

20 °C

pH:

2.8

Remarks on result:

other: maximum concentration measured

Details on results:

The amount of dissolved test item decreased with the stirring time, possibly due to hydrolysis (not further investigated). Therefore the maximum concentration of test item measured, i.e. after 24 hours of stirring, was reported as the water solubility.

Any other information on results incl. tables

Results Flask method

Stirring time [hours]	Analyzed concentration [g/L]	pH
24	6.21	3.2
48	4.54	3.0
72	4.10 (1)	3.1

(1) 4.00 g/L after the additional centrifugation step.

Applicant's summary and conclusion

Conclusions:

The water solubility of the substance at 20°C was determined to be 6.21 g/L.

Executive summary:

The water solubility of the substance was determined using the flask method in a GLP study according to EC A.6, OECD 105 and OPPTS 830.7840.

Quantification was performed by UPLC-MS. The pH of the aqueous samples was 3.0 -3.2. Quantitative analysis after 24, 48 and 72 h of stirring showed that the concentration decreased with stirring time (possibly due to hydrolysis). Therefore the maximum concentration of test item measured, i.e. after 24 hours of stirring, was reported as the water solubility at 20°C: 6.21 g/L.