Reaction mass of mixed xylenes and sulphur monochloride

Partition coefficient

Administrative data

Endpoint:

partition coefficient

Type of information:

experimental study

Adequacy of study:

key study

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

other: GLP study in accordance with current guidelines.

Cross-reference

Reason / purpose for cross-reference:

reference to same study

Data source

Reference

Reference Type:

study report

Title:

Unnamed

Year:

2015

Report date:

2015

Materials and methods

Test guideline

Test guideline 1

Qualifier:

according to guideline

Guideline:

EU Method A.8 (Partition Coefficient)

Deviations:

not specified

Test guideline 2

Qualifier:

according to guideline

Guideline:

OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)

Deviations:

not specified

GLP compliance:

yes (incl. QA statement)

Type of method:

HPLC method

Partition coefficient type:

octanol-water

Test material

Test material information

Constituent 1

Reference substance name:

Reaction Mass of Mixed Xylenes and Sulphur Monochloride

IUPAC Name:

Reaction Mass of Mixed Xylenes and Sulphur Monochloride

Details on test material:

- Name of test material (as cited in study report):Reaction Mass of Mixed Xylenes and Sulphur Monochloride
- Substance type: UVCB (organic)
- Physical state: Liquid
- Lot/batch No.: 46000058
- Storage condition of test material: Room temperature, in the dark

Study design

Analytical method:

high-performance liquid chromatography

Results and discussion

Partition coefficient

Type:

log Pow

Temp.:

30 °C

pH:

ca. 5.1

Remarks on result:

other: Due to the test item being a reaction mass of varying composition the Log Pow is quoted as a range: 5.77 to >6.5.

Any other information on results incl. tables

Multiple peaks were observed for the test substance, the Log Pow was calculated for the first five peaks eluting. Peaks eluting after the fifth peak were quoted as Log Pow >6.5.

Approximately 42.9% by area of the test item presented a Log Pow value greater than 6.5.

Applicant's summary and conclusion

Conclusions:

The Log Pow of Reaction Mass of Mixed Xylenes and Sulphur Monochloride was determined to be 5.77 to >6.5. (Pow 5.84 x10^5 to >3.16 x 10^6).

Executive summary:

The partition coefficient of Reaction Mass of Mixed Xylenes and Sulphur Monochloride was determined in a GLP study performed in accordance with EU Method A8 and OECD guideline 117. The determination was made using the HPLC method whereby the dead time and retention time of a number of reference standards is measured. Calculation of the capacity factor (K') for the standards is used to plot a calibration line of Log K' versus retention time, the intercept and slope of which are used to calculate the Log Pow of the test substance. Multiple peaks were obtained for the test item therefore a range is reported for the Log Pow. The Log Pow of Reaction Mass of Mixed Xylenes and Sulphur Monochloride was determined to be 5.77 to >6.5. (Pow 5.84 x10^5 to >3.16 x 10^6).