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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 guidelineopen allclose all
Qualifier:
according to guideline
Guideline:
EU Method A.6 (Water Solubility)
Deviations:
no
Qualifier:
according to guideline
Guideline:
OECD Guideline 105 (Water Solubility)
Deviations:
no
GLP compliance:
yes
Type of method:
flask method

Test material

Constituent 1
Chemical structure
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 107

Standard 504 mg/L

4.8568 x 107

Blank

None detected

Sample A1

5.8993 x 107

Sample A2

5.8143 x 107

Sample B1

6.0013 x 107

Sample B2

6.0677 x 107

Sample C1

6.0863 x 107

Sample C2

5.7974 x 107

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

Sample Number

Time shaken at ~ 30oC (hours)

Time equilibrated at 20oC (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.