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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.

The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.

Diss Factsheets

Administrative data

Endpoint:
water solubility
Type of information:
experimental study
Adequacy of study:
key study
Study period:
2018-05-07 - 2018-05-21
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

Constituent 1
Chemical structure
Reference substance name:
Phenylsuccinic acid
EC Number:
211-238-1
EC Name:
Phenylsuccinic acid
Cas Number:
635-51-8
Molecular formula:
C10H10O4
IUPAC Name:
2-phenylbutanedioic acid
Test material form:
solid: particulate/powder
Specific details on test material used for the study:
Molecular Formula of a. i. : C10H10O4
Molecular Weight of a. i. : 194.186
CAS No. of a. i : 635.51-8
Physical Appearance : White crystalline powder
Batch Number : 123
Purity (Assay of A.I.) : 99.99

Results and discussion

Water solubility
Key result
Water solubility:
2.741 g/L
Conc. based on:
test mat.
Loading of aqueous phase:
125 mg/L
Incubation duration:
3 d
Temp.:
20 °C
pH:
5.5

Applicant's summary and conclusion

Conclusions:
Based on the results obtained from the study it is concluded that, the solubility of 2-Phenylsuccinic Acid in water is found to be 2.741 g/L at 20.0 ± 0.5 °C.
Executive summary:

HPLC method was used for determination of concentration of 2-Phenylsuccinic Acid in water. The

HPLC method used for analysis of 2-Phenylsuccinic Acid was validated in another study (Study

No. RA2629/AMV-SHA). 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 2-Phenylsuccinic Acid. 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 2-Phenylsuccinic Acid in water.

The stability of the test item (2-Phenylsuccinic Acid) 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 6

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 10 to 1 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

2-Phenylsuccinic Acid.

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 2-Phenylsuccinic Acid in water at 20.0 ± 0.5 °C was found to be 2.741 g/L.