2-bromo-5-hydroxy-4-methoxybenzaldehyde

Partition coefficient

Administrative data

Endpoint:

partition coefficient

Type of information:

experimental study

Adequacy of study:

key study

Study period:

1998-01-07 to 1998-03-16

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

other: see 'Remark'

Remarks:

GLP study performed according to OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method) and OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method) and EU Method A.8 (Partition Coefficient) . Well documented study,however, the purity is 91.3 % and no impiurities were mentioned (impiurities may influance the solubility of the substance in the solvent).

Data source

Reference

Reference Type:

study report

Title:

Unnamed

Year:

1998

Report date:

1998

Materials and methods

Test guideline

Test guideline 1

Qualifier:

according to guideline

Guideline:

OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)

Deviations:

no

Test guideline 2

Qualifier:

according to guideline

Guideline:

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

Deviations:

no

Test guideline 3

Qualifier:

according to guideline

Guideline:

EU Method A.8 (Partition Coefficient)

Deviations:

no

Principles of method if other than guideline:

Not applicable

GLP compliance:

yes (incl. QA statement)

Remarks:

Certificate from the Swiss GLP Monitoring Authorities.

Type of method:

flask method

Partition coefficient type:

octanol-water

Test material

Test material information

Constituent 1

Reference substance name:

-

EC Number:

426-540-0

EC Name:

-

Cas Number:

2973-59-3

Molecular formula:

C8 H7 Br O3

IUPAC Name:

2-bromo-5-hydroxy-4-methoxybenzaldehyde

Test material form:

solid

Specific details on test material used for the study:

- Batch: 00265786
- Purity: 91.3% (HPLC purity)
- Expiration date: July 1, 1998 (retest date)
- Storage: at room temperature at about 20°C

Study design

Analytical method:

high-performance liquid chromatography

Results and discussion

Partition coefficient

Key result

Type:

log Pow

Partition coefficient:

2.2

Temp.:

22 °C

pH:

5

Details on results:

mean of six analyses, pH not reported

Any other information on results incl. tables

During the main study, three tests were carried out, each in duplicate, with volume ratios of both solvents of 1:1, 2:1 and 1:2. After equilibration, the concentration of the test article was determined in every phase by HPLC. The log Pow was calculated for each of the six vessels and was found to be in the range of 2.18 to 2.20, with a mean of 2.2. The pH was measured to be 5. In order to check the analytical work, the mass balance for each vessel was calculated too, and the recovery of the test substance was found to be in the range of 96% to 100%.

Applicant's summary and conclusion

Conclusions:

In conclusion, the partition coefficient was determined to be log Pow = 2.2 using the flask shake method at 22.0°C and pH 5.