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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Study period:
2018-05-10 - 2018-05-15
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 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
Deviations:
no
GLP compliance:
no
Type of method:
flask method
Partition coefficient type:
octanol-water

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

Study design

Analytical method:
high-performance liquid chromatography

Results and discussion

Partition coefficient
Key result
Type:
log Pow
Partition coefficient:
1.03
Temp.:
25 °C
pH:
7

Applicant's summary and conclusion

Conclusions:
Based on the results obtained from the study, it is concluded that the partition coefficient of the 2-Phenylsuccinic Acid was found to be 1.03 (Log P ow) at 25  1.0 °C.
Executive summary:

Shake flask method was used for determination of partition coefficient of 2-Phenylsuccinic Acid.

The study was performed at 25  1.0 °C and at pH of 7.0.

Stability of test item was determined in water (buffer of pH 7.0) and n-octanol at 25  1.0 °C for a

period of 48 hours. Test item was found to be stable in both water (buffer of pH 7.0) and n-octanol

for a period of 48 hours at test temperature. Validated HPLC method was used for determination of

concentration of 2-Phenylsuccinic Acid in water (buffer of pH 7.0) and n-octanol.

A stock solution of 1999.92 mg/L (equivalent to 0.0103 mol/L) of test item was prepared in n-octanol

saturated with water (buffer). Solutions of three different ratios (1:1, 2:1 and 0.5:1) of test item were

prepared in n-octanol and water (buffer of pH 7.0) for determination of partition coefficient. The two

layers were mixed well by shaking with hand for about 5 minutes. The phase separation of the

mixture was achieved at the test temperature by centrifugation at 1000 rpm for 5 minutes. The two

layers [water (buffer) and n-octanol] were separated and the concentrations of test item dissolved in

both phases were determined by validated HPLC method. The partition coefficient was estimated

from the ratio of the solubility of 2-Phenylsuccinic Acid in n-octanol and water (buffer).

Based on the results obtained from the study, it is concluded that the partition coefficient of the 2-

Phenylsuccinic Acid is 1.03 (Log Pow) at 25  1.0 °C.