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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.

The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.

Diss Factsheets

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