2,3-dibromo-2-butene-1,4-diol

Water solubility

Administrative data

Endpoint:

water solubility

Type of information:

experimental study

Adequacy of study:

key study

Study period:

2018-03-31 - 2018-04-11

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Data source

Reference

Reference Type:

study report

Title:

Unnamed

Year:

2018

Report date:

2018

Materials and methods

Test guideline

Qualifier:

according to guideline

Guideline:

OECD Guideline 105 (Water Solubility)

Deviations:

no

GLP compliance:

no

Type of method:

flask method

Test material

Test material information

Constituent 1

Reference substance name:

2,3-dibromo-2-butene-1,4-diol

EC Number:

221-779-5

EC Name:

2,3-dibromo-2-butene-1,4-diol

Cas Number:

3234-02-4

Molecular formula:

C4H6Br2O2

IUPAC Name:

(E)-2,3-dibromobut-2-ene-1,4-diol

Test material form:

solid

Specific details on test material used for the study:

Molecular Formula : HOCH2C(Br)=C(Br)CH2OH
Molecular Mass : 245.90
Characteristics (Physical
Appearance) : White crystalline powder
CAS No. : 3234-02-4
Lot Number : LC44633
Purity (Analysed by Sponsor) : 99.7% by GC

Results and discussion

Water solubility

Key result

Water solubility:

55.23 g/L

Conc. based on:

test mat.

Loading of aqueous phase:

240 g/L

Incubation duration:

72 h

Temp.:

20 °C

pH:

7

Applicant's summary and conclusion

Conclusions:

Based on the results obtained from the study it is concluded that, the solubility of trans-2,3-Dibromo-2-Butene-1,4-Diol in water is found to be 55.23 g/L at 20.0 ± 0.5 °C.

Executive summary:

HPLC method was used for determination of concentration of trans-2,3-Dibromo-2-Butene-1,

4-Diol in water. Method was validated by determining the parameters viz., specificity, linearity, accuracy (% recovery), precision (repeatability), limit of detection (LOD) and limit of quantification (LOQ). The method was found to be specific, linear, accurate and precise for analysis of trans-2,3-Dibromo-2-Butene-1,4-Diol. The HPLC method was

said to be validated as the validation parameters were found within the acceptance criteria. The

calibration curve method was used for determination of concentration of trans-2,3-Dibromo-2-

Butene-1,4-Diol in water.

The stability of the test item (trans-2,3-Dibromo-2-Butene-1,4-Diol) was determined in water, prior

to start of the water solubility experiment. The test item was found to be stable in water at 20.0

 0.5 °C for up to 96 hours.

Preliminary test was performed at room temperature to determine the approximate solubility of test

item in water. The approximate solubility of test item in water was found to be 50 - 10 g/L.

The main test for determination of water solubility of test item was performed by flask method, which

was decided from the results of preliminary test and available information on water solubility of

trans-2,3-Dibromo-2-Butene-1,4-Diol.

The water solubility study was performed by shake flask method at 20.0 ± 0.5 °C. Saturated

solutions of test item were prepared in water separately. These saturated solutions were

equilibrated at the test temperature. After completion of specific incubation times, these samples

were centrifuged at test temperature. The mass concentrations of the test item in the supernatant

aqueous solutions were determined by the validated HPLC method. The pH of the supernatant

aqueous solutions was determined for each sample.

The solubility of trans-2,3-Dibromo-2-Butene-1,4-Diol in water at 20.0 ± 0.5 °C is found 55.23 g/L.