2-ethoxy-4-(hydroxymethyl)phenol

Water solubility

Administrative data

Endpoint:

water solubility

Type of information:

experimental study

Adequacy of study:

key study

Study period:

Experimental starting date: 31 July 2016 Experimental completion date: 12 October 2016

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Data source

Reference

Reference Type:

study report

Title:

Unnamed

Year:

2017

Report date:

2017

Materials and methods

Test guideline

Test guideline 1

Qualifier:

according to guideline

Guideline:

EU Method A.6 (Water Solubility)

Deviations:

no

Test guideline 2

Qualifier:

according to guideline

Guideline:

OECD Guideline 105 (Water Solubility)

Deviations:

no

GLP compliance:

yes

Type of method:

flask method

Test material

Test material information

Constituent 1

Reference substance name:

2-ethoxy-4-(hydroxymethyl)phenol

EC Number:

674-192-5

Cas Number:

4912-58-7

Molecular formula:

C9H12O3

IUPAC Name:

2-ethoxy-4-(hydroxymethyl)phenol

Test material form:

solid: particulate/powder

Specific details on test material used for the study:

Information as provided by the Sponsor. The Certificate of Analysis provided by the Sponsor is presented as.

Identification: EVA
Common name: ETHYLVANILLYL ALCOHOL, White Vanilla
CAS Number: 4912-58-7
CAS Name: Benzenemethanol, 3-ethoxy-4-hydroxy-
Chemical Name: 2- Ethoxy-4-(hydroxymethyl)phenol
Appearance/Physical state: Pale yellow powder
Batch: 4K0001
Purity: 100%
Expiry date: 31 December 2017
Storage conditions: Room temperature in the dark

Results and discussion

Water solubility

Key result

Water solubility:

ca. 6.1 g/L

Conc. based on:

test mat.

Temp.:

20 °C

pH:

>= 5.8 - <= 6.5

Any other information on results incl. tables

Preliminary Test

The preliminary estimate of water solubility was 4.96 g/L at 20.0 ± 0.5 °C.

Main Test

Typical chromatography is presented in the section "Attached background information".

The mean peak areas relating to the standard and sample solutions are shown in the following table:

Solution	Mean peak area
Standard 504 mg/L	4.9176 x 10^7
Standard 504 mg/L	4.8568 x 10^7
Blank	None detected
Sample A1	5.8993 x 10^7
Sample A2	5.8143 x 10^7
Sample B1	6.0013 x 10^7
Sample B2	6.0677 x 10^7
Sample C1	6.0863 x 10^7
Sample C2	5.7974 x 10^7

The concentration (g/L) of test item in the sample solutions is shown in the following table:

Sample Number	Time shaken at ~ 30^oC (hours)	Time equilibrated at 20^oC (hours)	Concentration (g/L)	Mean Concentration (g/L)	Solution pH
A1	24	24	5.97	5.98	6.5
A2			5.98
B1	48	24	6.18	6.21	6.0
B2			6.25
C1	72	24	6.26	6.12	5.8
C2			5.97

Mean concentration : 6.10 g/L at 20.0 ± 0.5 ºC

Range : 5.97 to 6.26 g/L

Standard Deviation : 0.143

Validation

The linearity of the detector response with respect to concentration was assessed over the nominal concentration range of 250 to 1000 mg/L. The results were satisfactory with a correlation coefficient (r) of 0.9998 being obtained.

Discussion

On completion of the equilibration period, the samples were clear and colorless with excess test item present at the bottom of the test vessels. The solutions were decanted, avoiding excess test item prior to centrifugation. After centrifugation and filtration, the supernatant was taken for analysis. The supernatant was visually observed to be clear/colorless and free from un-dissolved test item.

As the water solubility was determined during the preliminary test to be above 10-2 g/L, the flask shaking test was performed.

All individual water solubility results were within ± 15% of the mean, thus satisfying the criteria specified in the guidelines.

Applicant's summary and conclusion

Conclusions:

The water solubility of the test item has been determined to be 6.10 g/L of solution at 20.0 ± 0.5 °C.

Executive summary:

The determination was carried out using the flask method, designed to be compatible with Method A.6 Water Solubility of Commission Regulation (EC) No 440/2008 of 30 May 2008 and Method 105 of the OECD Guidelines for Testing of Chemicals, 27 July 1995.

Conclusion

The water solubility of the test item has been determined to be 6.10 g/L of solution at 20.0 ± 0.5 °C.