Aluminum, benzoate C16-18 fatty acids complexes - high aluminium

Water solubility

Administrative data

Endpoint:

water solubility

Type of information:

experimental study

Adequacy of study:

supporting study

Study period:

13 July 2012 to 11 January 2013

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

other: GLP compliant, guideline study, available as an unpublished report.

Data source

Reference

Reference Type:

study report

Title:

Unnamed

Year:

2013

Report date:

2013

Materials and methods

Test guideline

Test guideline 1

Qualifier:

according to guideline

Guideline:

OECD Guideline 105 (Water Solubility)

Deviations:

no

Test guideline 2

Qualifier:

according to guideline

Guideline:

EU Method A.6 (Water Solubility)

Deviations:

no

GLP compliance:

yes (incl. QA statement)

Type of method:

column elution method

Test material

Test material information

Constituent 1

Reference substance name:

Aluminum, benzoate C16-18-fatty acids complexes

EC Number:

303-385-6

EC Name:

Aluminum, benzoate C16-18-fatty acids complexes

Cas Number:

94166-87-7

Molecular formula:

C23H37AlO5, C25H41AlO5

IUPAC Name:

Aluminum, benzoate C16-18-fatty acids complexes

Test material form:

other: Solid

Details on test material:

- Physical state: Pale Yellow Solid
- Purity: Not applicable - UVCB
- Substance identity: Aluminum, benzoate C16-18-fatty acids complexes
- Batch number: 11074091 + Benzoic acid
- Carbon Content: 65.1%
- Analysis code: A118
- Date recieved: 07 June 2012
- Expiration date: 01 July 2013
- Storage of test material: Room temperature in the dark

Results and discussion

Water solubility

Water solubility 1

Water solubility:

<= 0 g/L

Temp.:

20 °C

pH:

>= 5.9 - <= 6.8

Remarks on result:

other: Based on total dissolved aluminium. Temperature 20 ± 0.5 ºC.

Water solubility 2

Water solubility:

<= 0 g/L

Temp.:

20 °C

pH:

>= 5.9 - <= 6.8

Remarks on result:

other: Based on test item concentration. Temperature 20 ± 0.5 ºC.

Details on results:

No interference from surface active properties was evident from the test item.

Sampling of the column elution systems over the a ten day period (sample number 1 to sample number 9 inclusive) resulted in sample solutions containing limited to negligible aluminium concentrations (2.4 x 10-5 to <5 x 10-6 g/L total dissolved aluminium). Neither time nor flow dependent concentration relationships were observed for either system.

Further sampling (sample number 10 to sample number 14 inclusive) were carried out with the addition of centrifugation as a precaution against trace particulate contamination. Sample number 1 to sample number 9 inclusive had been diluted directly for analysis; consistent with the method guidelines.

However, as opposed to lowering the observed sample variance, these additional samples resulted in a limited, but quantifiable concentration of total dissolved aluminium in all solutions. Critically though, due to the extended timescale of the experimental period for this second dataset (27 to 31 days flow) and the use of a non-substance specific method of analysis, it was not possible to confirm if this moderately elevated aluminium concentration originated from dissolution of the parent aluminum, benzoate C16-18-fatty acids complexes or a degradation/hydrolysis product. Detection of less than 0.005 mg/L total dissolved aluminium after 10 days flow for both systems (sample number 9) would support aluminum, benzoate C16-18-fatty acids complexes as being essentially insoluble in water.

As such, the overall conclusion has been taken from the sample number 4 to sample number 9 (see Table 1 below) inclusive such that:

The solubility of the test item has been determined to be less than or equal to 1.6 x 10-5 g/L total dissolved aluminium, sampling the column elution apparatus over a 192 to 245 hour circulation period. This conclusion was drawn from a minimum of 5 consecutive samples in compliance with the method guidelines. Although the presence of limit values for a number of sample solution concentrations prevents statistical analysis, neither time nor flow dependent concentration relationships were observed for either system over this period. Based on the aluminium content of the test item, this represented a maximum possible theoretical aluminum, benzoate C16-18-fatty acids complexes concentration of 2.6 x 10-4 g/L.

Further sampling following an extended circulation period of 27 to 31 days showed a slightly elevated total dissolved aluminium concentration (maximum value of 3.8 x 10-5 g/L), but in the absence of a substance specific method of analysis, this could not be confidently attributed to the parent aluminum, benzoate C16-18-fatty acids complexes following such a period of exposure to water. However such data would indicate that even on extended exposure, the test item still generated extremely limited concentrations of aluminium containing soluble species.

Any other information on results incl. tables

Table 1 Results

 

Sample Number	Sampling Time (hour)		Total Dissolved Aluminium Concentration (g/L)		Solution pH
	System A	System B	System A	System B	System A	System B
1	144	145	1.6 x 10^-5	<5 x 10^-6	3.7	6.1
2	168	169	1.3 x 10^-5	6 x 10^-6	5.8	5.5
3	173	174	2.4 x 10^-5	1.4 x 10^-5	5.4	5.2
4	192	193	<5 x 10^-6	<5 x 10^-6	6.5	6.5
5	197	198	8 x 10^-6	1.2 x 10^-5	6.8	6.8
6	216	217	<5 x 10^-6	<5 x 10^-6	6.8	6.6
7	221	222	1.1 x 10^-5	1.6 x 10^-5	6.8	6.4
8	240	241	<5 x 10^-6	N/A[1]	6.1	6.2
9	244	245	<5 x 10^-6	<5 x 10^-6	6.1	5.9
10	649	650	3.2 x 10^-5	1.9 x 10^-5	5.6	4.9
11	673	674	3.9 x 10^-5	2.1 x 10^-5	5.0	4.6
12	696	697	1.5 x 10^-5	3.6 x 10^-5	4.8	4.7
13	722	723	3.5 x 10^-5	1.2 x 10^-5	5.5	5.8
14	744	745	3.6 x 10^-5	1.6 x 10^-5	5.8	5.6

 

The overall results, taken from sample number 4 to sample number 9 inclusive, are shown in the following table:

 

Table 2 Overall Results

 

Determination	OverallTotal Dissolved Aluminium Concentration (g/L)	Equivalent Concentrations of Aluminum, benzoate C16-18-fatty acids complexes (g/L)
System A	≤1.1 x 10^-5	≤1.7 x 10^-4
System B	≤1.6 x 10^-5	≤2.6 x 10^-4
Overall	≤1.6 x 10^-5	≤2.6 x 10^-4

 

N/A = not available

Applicant's summary and conclusion

Conclusions:

Interpretation of results (migrated information): slightly soluble (0.1-100 mg/L)
The water solubility of the test item has been determined to be less than or equal to 0.000016 g/L of solution at 20.0 ± 0.5 °C, as total dissolved aluminium. Based on the aluminium content of the test item, this represented a maximum possible theoretical parent aluminum, benzoate C16-18-fatty acids complexes concentration of 0.00026 g/L of solution at 20.0 ± 0.5 °C.

Executive summary:

The water solubility of aluminum, benzoate C16-18-fatty acids complexes has been determined to be less than or equal to 0.00026 g/L at 20.0 ± 0.5 °C. The water solubility of test item was determined in a GLP study (Harlan 2013) following OECD guideline 105. The study is considered reliable and relevant for use for this endpoint.