Methyl 3-mercaptopropionate

Water solubility

Administrative data

Endpoint:

water solubility

Type of information:

migrated information: read-across from supporting substance (structural analogue or surrogate)

Adequacy of study:

key study

Study period:

2005-01-05 to 2008-10-13

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

other: GLP study conducted according to OECD Guideline 105.

Cross-reference

Cross-reference 1

Reason / purpose for cross-reference:

reference to same study

Cross-reference 2

Reason / purpose for cross-reference:

reference to other 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

Principles of method if other than guideline:

N/A

GLP compliance:

yes (incl. QA statement)

Remarks:

Swiss GLP Monitoring Authorities, Bern, Switzerland

Type of method:

flask method

Test material

Test material information

Constituent 1

Reference substance name:

3-mercaptopropionic acid

EC Number:

203-537-0

EC Name:

3-mercaptopropionic acid

Cas Number:

107-96-0

IUPAC Name:

3-sulfanylpropanoic acid

Details on test material:

- Name of test material (as cited in study report): 3-Mercaptopropionic acid
- Molecular formula (if other than submission substance): N/A
- Molecular weight (if other than submission substance): N/A
- Smiles notation (if other than submission substance): N/A
- InChl (if other than submission substance): N/A
- Structural formula attached as image file (if other than submission substance): N/A
- Substance type: active
- Physical state: liquid, colorless

Results and discussion

Water solubility

Water solubility:

> 603.7 g/L

Temp.:

22 °C

pH:

1.8

Details on results:

After mixing about 5.1 g of the test item with 5 mL of water, a clear solution with some striae was obtained. It was not possible to prepare a saturated solution; therefore, the water solubility of 3-mercaptopropionic acid might be higher than determined in the present study. The determination of the concentration in the above mentioned solution was confirmed by HPLC with respect to calibration curve.

Given the high solubility demonstrated by the preliminary test, a main test was not conducted. Please see Table 1 below for results. The tabulated values represent rounded results, which were obtained by calculation using the exact raw data. The water solubility was not corrected for the purity of the test substance.

Any other information on results incl. tables

Table 1. Results of the Water Solubility of 3-Mercaptopropionic Acid

Initial Weight (g)	Water Added (mL)	Dilution Factor	Peak Area	Measured Concentration (ug/mL)	Solubility in Water (mg/mL)	Mean  (g/L)
5.16	5	20000	37088	30.9	618.9	603.7
5.13	5	20000	35223	29.4	588.4

 

Applicant's summary and conclusion

Conclusions:

Interpretation of results (migrated information): very soluble (> 10000 mg/L)
The solubility of 3-Mercaptopropionic acid at room temperature was determined to be more than 603.7 g/L.

Executive summary:

N/A