5-(hydroxymethyl)-2-furaldehyde

Water solubility

Administrative data

Endpoint:

water solubility

Type of information:

experimental study

Adequacy of study:

key study

Study period:

06 August 2019

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Data source

Reference

Reference Type:

study report

Title:

Unnamed

Year:

2019

Report date:

2019

Materials and methods

Test guideline

Test guideline 1

Qualifier:

according to guideline

Guideline:

OECD Guideline 105 (Water Solubility)

Version / remarks:

1995

Deviations:

no

Test guideline 2

Qualifier:

according to guideline

Guideline:

EU Method A.6 (Water Solubility)

Version / remarks:

2008

Deviations:

no

GLP compliance:

not specified

Type of method:

flask method

Test material

Test material information

Constituent 1

Reference substance name:

Reference substance 001

Cas Number:

67-47-0

Molecular formula:

C6H6O3

impurity 1

Reference substance name:

Fructose

EC Number:

200-333-3

EC Name:

Fructose

Cas Number:

57-48-7

Molecular formula:

C6H12O6

IUPAC Name:

D-fructose

impurity 2

Reference substance name:

1-(furan-2-yl)-2-hydroxyethanone

Cas Number:

17678-19-2

Molecular formula:

C6H6O3

IUPAC Name:

1-(furan-2-yl)-2-hydroxyethanone

impurity 3

Reference substance name:

Water

EC Number:

231-791-2

EC Name:

Water

Cas Number:

7732-18-5

Molecular formula:

H2O

IUPAC Name:

water

impurity 4

Reference substance name:

Sodium formate

EC Number:

205-488-0

EC Name:

Sodium formate

Cas Number:

141-53-7

Molecular formula:

CH2O2.Na

IUPAC Name:

sodium formate

impurity 5

Reference substance name:

Sodium nitrate

EC Number:

231-554-3

EC Name:

Sodium nitrate

Cas Number:

7631-99-4

Molecular formula:

HNO3.Na

IUPAC Name:

sodium nitrate

impurity 6

Reference substance name:

Glucose

EC Number:

200-075-1

EC Name:

Glucose

Cas Number:

50-99-7

Molecular formula:

C6H12O6

IUPAC Name:

D-glucose

impurity 7

Reference substance name:

Sodium acetate

EC Number:

204-823-8

EC Name:

Sodium acetate

Cas Number:

127-09-3

Molecular formula:

C2H4O2.Na

IUPAC Name:

sodium acetate

impurity 8

Reference substance name:

2-furaldehyde

EC Number:

202-627-7

EC Name:

2-furaldehyde

Cas Number:

98-01-1

Molecular formula:

C5H4O2

IUPAC Name:

2-furaldehyde

impurity 9

Reference substance name:

Sodium 4-oxovalerate

EC Number:

243-378-4

EC Name:

Sodium 4-oxovalerate

Cas Number:

19856-23-6

Molecular formula:

C5H8O3.Na

IUPAC Name:

sodium 4-oxopentanoate

impurity 10

Reference substance name:

Formaldehyde

EC Number:

200-001-8

EC Name:

Formaldehyde

Cas Number:

50-00-0

Molecular formula:

CH2O

IUPAC Name:

formaldehyde

Test material form:

solid: crystalline

Details on test material:

freeze-dried material
Batch: 1808A-RO-C-I1-FD-Chg#3
Appearance Crystal / brown
Storage: Refrigerator (2 - 8 °C)
Expiring date: 31 December 2019

Specific details on test material used for the study:

SOURCE OF TEST MATERIAL
- Source: AVA-Biochem BSL AG
- Lot/batch No.: 1808A-RO-C-I1-FD-Chg#3
- Expiration date of the lot/batch: 31 December 2019
- Purity test date: 85.4% (w/w)


STABILITY AND STORAGE CONDITIONS OF TEST MATERIAL
- Storage condition of test material: 2-8 °C

Results and discussion

Water solubility

Key result

Water solubility:

> 1 000 g/L

Conc. based on:

test mat.

Remarks on result:

not determinable because of methodological limitations

Details on results:

In the preliminary test, the test item could be already dissolved in the first step after the addition of 0.1 ml ultra-pure water. Based on the testing scheme provided in the guideline and given in Table 1, this corresponds to a water solubility of >1000 g/l.

In the second test, ultra-pure water was added to 0.5 g of test item. It could be readily dissolved in 0.1 ml of ultra-pure water demonstrating that the test item is soluble in water in a test item weight to water volume ratio of at least 5:1 (w:v).

Any other information on results incl. tables

Table 1 Testing scheme to determine the approximate water solubility in the preliminary test

ml of water for 0.1 g test item	0.1	0.5	1	2	10	100	>100
Approx. solubility in g/l	>1000	1000 to 200	200 to 100	100 to 50	50 to 10	10 to 1	<1

Applicant's summary and conclusion

Conclusions:

In a preliminary test, a water solubility >1000 g/l was determined for the test item 5-(Hydroxy-methyl)furfural (CAS no. 67-47-0). Based on this result, a determination of the water solubility according to the OECD guideline 105 is not possible for this test item, because its water solubility is too high for the approach given in the guideline.

Executive summary:

It was the aim of this study to determine the water solubility of the test item 5-(Hydroxymethyl)furfural (CAS no. 67-47-0) according to the OECD guideline 105.

The preliminary test according to the guideline showed that the test item was very soluble in water, as about 0.1 g could be readily dissolved in 0.1 ml of ultra-pure water corresponding to a water solubility of >1000 g/l.

This result was confirmed by an additional test, which illustrated that addition of 0.1 ml of ultra-pure water to about 0.5 g of test item resulted in a clear solution as well. This demonstrates that the test item is soluble in water in a test item weight to water volume ratio of at least 5:1 (w:v).

Based on these results, a determination of the water solubility of the test item according to the OECD guideline 105 is not possible, because its water solubility is too high for the approach given by the guideline.