Etilefrine

Partition coefficient

Administrative data

Endpoint:

partition coefficient

Type of information:

experimental study

Adequacy of study:

key study

Reliability:

1 (reliable without restriction)

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:

EPA OPPTS 830.7570 (Partition Coefficient, n-octanol / H2O, Estimation by Liquid Chromatography)

Test guideline 2

Qualifier:

according to guideline

Guideline:

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

Test guideline 3

Qualifier:

according to guideline

Guideline:

other: European Economic Community (EEC) directive 69/92, Annex V, Part A, Methods for the determination of physico-chemicals properties, A8 "Partition Coefficient", 1992

Type of method:

HPLC method

Partition coefficient type:

octanol-water

Test material

Test material information

Constituent 1

Reference substance name:

Etilefrine

EC Number:

211-910-4

EC Name:

Etilefrine

Cas Number:

709-55-7

Molecular formula:

C10H15NO2

IUPAC Name:

3-[2-(ethylamino)-1-hydroxyethyl]phenol

Test material form:

solid: particulate/powder

Remarks:

migrated information: powder

Details on test material:

Name: Effortil-Rohbase
Batch No: 310
Aggregate State at RT: solid
Colour: white
Purity: >98%
Analysis: meldting point
Certificate of Analysis: 19.07.2000
Storage: in orgiginal container, at room temperature, in the dark

Study design

Analytical method:

high-performance liquid chromatography

Results and discussion

Partition coefficient

Type:

log Pow

Partition coefficient:

ca. 3.2

Temp.:

25 °C

pH:

ca. 5.5

Remarks on result:

other: Using acetonitrile / water (75/25) (v/v) as mobile phase the partition coefficient of the test item was calculated to 3.2. The pH of the solution was determined to be pH 5.5.

Details on results:

The partition coefficient was estimated based an a calibration curve using 5 reference compounds. The difference between the three measurements of the reference mixture was less than the given 0.1 log units. Therefore the study is considered to be valid.
The partition coefficient (n-Octanol/Water) of the main component of the test item was estimated to be 3.2 at 25 °C ± 1 °C using the HPLC method.

Applicant's summary and conclusion

Executive summary:

Title

Determination of the Partition Coefficient (n-Octanol / Water) of Effortil-Rohbase by High Performance Liquid Chromatography(HPLC)

Guidelines/Recommendations

European Economic Community (EEC) directive 69/92, AnnexV, Part A, Methods for the determination of physico-chemicalsproperties, A8 "Partition Coefficient", 1992

OECD Guideline for Testing of Chemicals, GuidelineNo .117: "Partition coefficient (n-Octanol/Water), High Performance Liquid Chromatography (HPLC) method",adopted March 30, 1989

Product Properties Test Guideline OPPTS 830.7570 of theUnited States Environment Protection Agency (EPA), August, 1996

Purpose

The purpose of the study was to determine the partition coefficientof the test item Effortil-Rohbase between n-Octanol and waterusing High Performance Liquid Chromatography (HPLC). Thisstudy provides a rational basis for an assessment of the potentialbio-accumulation of the test item.

Results

The partition coefficient was estimated based an a calibrationcurve using 5 reference compounds. The difference between thethree measurements of the reference mixture was less than thegiven 0.1 log units. Therefore the study is considered to be valid.

The partition coefficient (n-Octanol/Water) of the main componentof the test item was estimated to be 3.2 at 25 °C ± 1 °C using the HPLC method.