1-(3,5-dihydroxyphenyl)-2-[[2-(4-hydroxyphenyl)-1-methylethyl]amino]ethan-1-one hydrobromide

Partition coefficient

Administrative data

Endpoint:

partition coefficient

Type of information:

experimental study

Adequacy of study:

key study

Study period:

1999-12-01 to 2000-08-07

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Data source

Reference

Reference Type:

study report

Title:

Unnamed

Year:

2000

Report date:

2000

Materials and methods

Test guideline

Test guideline 1

Qualifier:

according to guideline

Guideline:

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

Version / remarks:

(1995)

Test guideline 2

Qualifier:

according to guideline

Guideline:

EU Method A.8 (Partition Coefficient)

Version / remarks:

(1992)

Test guideline 3

Qualifier:

according to guideline

Guideline:

EPA OPPTS 830.7550 (Partition Coefficient, n-octanol / H2O, Shake Flask Method)

Version / remarks:

(1996)

GLP compliance:

not specified

Type of method:

flask method

Partition coefficient type:

octanol-water

Test material

Test material information

Constituent 1

Reference substance name:

1-(3,5-dihydroxyphenyl)-2-[[2-(4-hydroxyphenyl)-1-methylethyl]amino]ethan-1-one hydrobromide

EC Number:

222-148-7

EC Name:

1-(3,5-dihydroxyphenyl)-2-[[2-(4-hydroxyphenyl)-1-methylethyl]amino]ethan-1-one hydrobromide

Cas Number:

3371-33-3

Molecular formula:

C17H19NO4.BrH

IUPAC Name:

1-(3,5-dihydroxyphenyl)-2-{[1-(4-hydroxyphenyl)propan-2-yl]amino}ethan-1-one hydrobromide

Test material form:

solid: particulate/powder

Study design

Analytical method:

photometric method

Results and discussion

Partition coefficient

Key result

Type:

log Pow

Partition coefficient:

0.5

pH:

> 6 - < 7

Remarks on result:

other: Temperature not mentioned

Any other information on results incl. tables

Data handling: The partition coefficient is defined as the ratio of the equilibrium concentrations of a dissolved item in a two phase system consisting two largely immiscible solvents. In the case of n-octanol and water: P_ow = C_n-Octanol/C_Water; the partition coefficient is dimensionless and usually given in form of its logarithm to base ten. A P_ow is calculated from data of each run. Altogether six values are obtained for each experiment. The six log P_ow values should fall within a range of +-0.3 units.

The partition coefficient of the test item was determined using the shake flask method. The partition coefficient was calculated based on the concentration measured in the two phases of the system. Basing on the results of photometrical measurements the concentration of the test item was determined using a calibration curve (calibration range: 2.5 to 25 mg test item/L (deionised water or n-octanol)). The determination of concentration was conducted via correlation of absorbtion units (AU) of different standard solutions with their corresponding concentrations, using a linear regression (R² > 0.995).

Applicant's summary and conclusion

Conclusions:

According to this study the logarithmic partition coefficient (n-octanol/water) of the test item was determined to be 0.5 using the shaking flask method.