2-hydroxy-3-propyl-2H-furan-5-one

Partition coefficient

Administrative data

Endpoint:

partition coefficient

Type of information:

experimental study

Adequacy of study:

key study

Study period:

08 August 2018 - 17 October 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:

2019

Materials and methods

Test guideline

Test guideline 1

Qualifier:

according to guideline

Guideline:

EU Method A.8 (Partition Coefficient - Shake Flask Method)

Version / remarks:

2016

Deviations:

no

Test guideline 2

Qualifier:

according to guideline

Guideline:

OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)

Version / remarks:

1995

Deviations:

no

Test guideline 3

Qualifier:

according to guideline

Guideline:

EPA OPPTS 830.7550 (Partition Coefficient, n-octanol / H2O, Shake Flask Method)

Version / remarks:

1996

Deviations:

no

GLP compliance:

yes

Type of method:

flask method

Partition coefficient type:

octanol-water

Test material

Test material information

Constituent 1

Reference substance name:

5-hydroxy-4-propyl-2,5-dihydrofuran-2-one

Cas Number:

78920-10-2

Molecular formula:

C7H10O3

IUPAC Name:

5-hydroxy-4-propyl-2,5-dihydrofuran-2-one

Test material form:

liquid: viscous

Details on test material:

- Appearance: Brown viscous liquid
- Storage condition of test material: At room temperature

Study design

Analytical method:

high-performance liquid chromatography

Results and discussion

Partition coefficient

Key result

Type:

log Pow

Partition coefficient:

0.6

Temp.:

20 °C

pH:

ca. 6.4

Details on results:

- Concentration analysed in the stock solution was 1.16 g/L (corrected for purity).
- Nominal quantity of the substance in each test sample: 2.31 mg (corrected for purity).
- Recovery (range) for the test samples: 91% - 95%.
- The log Pow values were within the criterion range of ± 0.3 log units (see table below)

Any other information on results incl. tables

Table: Shake-flask results

Ratio n-octanol : water [v:v]	Analyzed concentration		Pow		log Pow	pH
	n-octanol [g/L]	water [g/L]	individual	mean
1:1	0.285	0.0774	3.7x10^0	3.8x10^0	0.6	6.4
	0.287	0.0740	3.9x10^0		0.6	6.4
1:2	0.363	0.0935	3.9x10^0	3.9x10^0	0.6	6.4
	0.352	0.0899	3.9x10^0		0.6	6.4
2:1	0.232	0.0622	3.7x10^0	3.7x10^0	0.6	6.4
	0.238	0.0640	3.7x10^0		0.6	6.5
Mean			3.8x10^0		0.6
Standard deviation			1.0x10^-1

reported concentrations are corrected for purity, thus reflect the concentration of the main constituent

Applicant's summary and conclusion

Conclusions:

The log Pow of the substance at neutral pH and and 20°C was determined to be 0.6.