L-Ascorbic acid, 3-O-ethyl-

Partition coefficient

Administrative data

Endpoint:

partition coefficient

Type of information:

experimental study

Adequacy of study:

key study

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Data source

Reference

Reference Type:

study report

Title:

Unnamed

Year:

2016

Report date:

2016

Materials and methods

Test guideline

Test guideline 1

Qualifier:

according to guideline

Guideline:

EU Method A.8 (Partition Coefficient)

Test guideline 2

Qualifier:

according to guideline

Guideline:

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

Test guideline 3

Qualifier:

according to guideline

Guideline:

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

GLP compliance:

yes

Type of method:

flask method

Partition coefficient type:

octanol-water

Test material

Test material information

Constituent 1

Reference substance name:

(5R)-5-[(1S)-1,2-dihydroxyethyl]-4-ethoxy-3-hydroxy-2,5-dihydrofuran-2-one

EC Number:

617-849-3

Cas Number:

86404-04-8

Molecular formula:

C8H12O6

IUPAC Name:

(5R)-5-[(1S)-1,2-dihydroxyethyl]-4-ethoxy-3-hydroxy-2,5-dihydrofuran-2-one

Details on test material:

Name of test material (as cited in study report): Ethyl Ascorbic acid
Physical state: White to very pale yellow crystalline powder
Test item storage: In freezer (≤ -15°C) desiccated
Stability: Stable under storage conditions until 21 April 2018 (retest date)

Study design

Analytical method:

high-performance liquid chromatography

Results and discussion

Partition coefficient

Type:

log Pow

Partition coefficient:

-0.8

Temp.:

20 °C

pH:

7

Any other information on results incl. tables

Main study - shake flask method

The results of the shake flask method are given in the table.

The analysed concentration of the stock solution was 1.90 mg/l. Based on this the nominal quantity of the test item in the test samples was 3.8 μg. The recoveries were determined according to this value. The log P_ow values were within the criterion range of ± 0.3 log units. Based on this, the P_ow and log P_ow of the test item is given as the mean value of all measurements.

No test item was detected in the pre-treated samples from the blank mixture.

Main study: P_ow of the test item

Ratio n-octanol: water [v:v]	Analysed concentration		Pow		log Pow	pH
	n-octanol [mg/l]	water [mg/l]	individual	mean
1.1	0.0929	0.592	1.6E-01	1.5E-01	-0.8	6.9
	0.0925	0.606	1.5E-01		-0.8	6.9
1.2	0.0767	0.514	1.5E-01	1.5E-01	-0.8	6.9
	0.0744	0.471	1.6E-01		-0.8	7.1
1.3	0.121	0.777	1.6E-01	1.5E-01	-0.8	6.7
	0.121	0.794	1.5E-01		-0.8	6.7
Mean			1.5E-01		-0.8
standard deviation			3.3E-03

 

Conclusion

The shake flask method at neutral pH was applied for the determination of the partition coefficient (P_ow) of Ethyl Ascorbic acid.

The P_ow value of the test item at 20°C was 1.5E-01.

It corresponds with a log P_ow value of -0.8.