Registration Dossier

Administrative data

Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Reliability:
4 (not assignable)

Data source

Reference
Reference Type:
other: Body responsible for the test
Title:
Unnamed
Year:
1996

Materials and methods

Test guideline
Qualifier:
according to guideline
Guideline:
other: FDA 3.02
Principles of method if other than guideline:
The determination of the partition coefficient according to
the FDA guidelines was choosen for purpose of US
registration projects.
Major differences between FDA and OECD guidelines:
FDA 3.02: determination in triplicate at two different testconcentrations of the substance.
OECD 107: determination in duplicate at three different testcircumstances: variability in substance concentration or solvent concentration.
GLP compliance:
yes
Partition coefficient type:
octanol-water

Test material

Constituent 1
Chemical structure
Reference substance name:
(+/-)-[(R*,R*)and(R*,S*)]-6-fluoro-3,4-dihydro-2-oxiranyl-2H-1-benzopyran
EC Number:
419-600-2
EC Name:
(+/-)-[(R*,R*)and(R*,S*)]-6-fluoro-3,4-dihydro-2-oxiranyl-2H-1-benzopyran
Cas Number:
99199-90-3
Molecular formula:
C11H11FO2
IUPAC Name:
(2R)-6-fluoro-2-[(2R)-oxiran-2-yl]-3,4-dihydro-2H-1-benzopyran; (2R)-6-fluoro-2-[(2S)-oxiran-2-yl]-3,4-dihydro-2H-1-benzopyran; (2S)-6-fluoro-2-[(2R)-oxiran-2-yl]-3,4-dihydro-2H-1-benzopyran; (2S)-6-fluoro-2-[(2S)-oxiran-2-yl]-3,4-dihydro-2H-1-benzopyran

Results and discussion

Partition coefficient
Type:
log Pow
Partition coefficient:
2.32
Temp.:
25 °C
Remarks on result:
other: pH value not available

Applicant's summary and conclusion