Isooctyl 3-mercaptopropionate

Water solubility

Administrative data

Endpoint:

water solubility

Type of information:

experimental study

Adequacy of study:

key study

Study period:

02.11.2007-07.12.2007

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Cross-reference

Reason / purpose for cross-reference:

reference to same study

Data source

Reference

Reference Type:

study report

Title:

Unnamed

Year:

2008

Report date:

2008

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)

Remarks:

The Department of Health of the Government of the United Kingdom

Type of method:

flask method

Test material

Test material information

Constituent 1

Reference substance name:

Isooctyl 3-mercaptopropionate

EC Number:

250-157-6

EC Name:

Isooctyl 3-mercaptopropionate

Cas Number:

30374-01-7

Molecular formula:

C11H22O2S

IUPAC Name:

2-methylheptyl 3-sulfanylpropanoate

Details on test material:

- Name of test material (as cited in study report): Isooctyl 3-mercaptopropionate (IOMP)
- Physical state: liquid
- Analytical purity: 99.4%
- Lot/batch No.: 0000020703
- Storage condition of test material: room temperature, over silica gel, in the dark

Results and discussion

Water solubility

Water solubility:

ca. 7.67 mg/L

Temp.:

20 °C

pH:

>= 5.6 - <= 5.8

Details on results:

Results for samples 1-3: 9.39, 7.34, 6.29 mg/l, respectively (the overall result is an arithmetic mean). Temperature error: +/- 0.5 °C.
The linearity of the detector response with respect to concentration was assessed over the nominal concentration range of 0 to 1.05 g/l. This was satisfactory with a correlation coefficient of 1.00 being obtained. Recovery of analysis of the sample procedure was assessed and proved adequate for the test. Concentrations have not been corrected for recovery of analysis.

Any other information on results incl. tables

Definitive test: the mean total peak areas relating to the standard and sample solutions.

 

Solution	Mean Total Peak Area
Standard 271mg/l	1.291x10^3
Standard 262mg/l	1.292x10^3
Sample Blank	8.219
Sample 1A	2.286x10^3
Sample 1B	2.279x10^3
Sample 2A	1.729x10^3
Sample 2B	1.844x10^3
Sample 3A	1.518x10^3
Sample 3B	1.546x10^3

 

The concentration of test material in the sample solution:

 

Sample number	Time Shaken at ~30°C (hours)	Time Equilibrated at 20°C (hours)	Concentration (g/l)	Solution pH
1	24	24	9.39x10^-3	5.8
2	48	24	7.34x10^-3	5.7
3	72	24	6.29x10^-3	5.6

Recovery data: 

Nominal concentration (mg/l)	Recovery range (%)	Mean Recovery (%)
1	83.6 to 91.2	88.5
10	91.6 to 97.0	94.6

 

Applicant's summary and conclusion

Conclusions:

The water solubility of the test material has been determined to be 7.67 mg/l of solution at 20.0 +/- 0.5 °C.