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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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
Study period:
March 2010
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Justification for type of information:
The study was conducted in accordance xith the following guidelines :
- OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method -13 April 2004)
- EU Method A.8 'partition Coefficient' published 31 May 2008

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2010
Report date:
2010

Materials and methods

Test guidelineopen allclose all
Qualifier:
according to guideline
Guideline:
OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
Qualifier:
according to guideline
Guideline:
EU Method A.8 (Partition Coefficient - HPLC Method)
GLP compliance:
yes (incl. QA statement)
Type of method:
HPLC method
Partition coefficient type:
octanol-water

Test material

Constituent 1
Chemical structure
Reference substance name:
(±)-7-[(3-chloro-6,11-dihydro-6-methyldibenzo[c,f][1,2]thiazepin-11-yl)amino]heptanoic acid S,S-dioxide
EC Number:
276-851-9
EC Name:
(±)-7-[(3-chloro-6,11-dihydro-6-methyldibenzo[c,f][1,2]thiazepin-11-yl)amino]heptanoic acid S,S-dioxide
Cas Number:
72797-41-2
Molecular formula:
C21H25ClN2O4S
IUPAC Name:
(±)-7-[(3-chloro-6,11-dihydro-6-methyldibenzo[c,f][1,2]thiazepin-11-yl)amino]heptanoic acid S,S-dioxide
Test material form:
solid: crystalline
Details on test material:
White powder
Specific details on test material used for the study:
Batch 562371/016

Study design

Analytical method:
high-performance liquid chromatography

Results and discussion

Partition coefficient
Key result
Type:
log Pow
Partition coefficient:
ca. 2.162
Temp.:
25 °C
pH:
ca. 6
Details on results:
The chromatogram of the test item gave one peak at 4.424min. With the calibration function log K versus log Pow, the corresponding log Pow was determined as 2.162 +/- 0.009. This value is the mean +/- standard deviation of three independant determinations

Applicant's summary and conclusion

Conclusions:
Using the correlation log K/log Pow, the log Pow of the test item 1574 ACIDE was determined as 2.162 +/- 0.009.
Executive summary:

The chromatogram of the test item gave one peak at 4.424min. With the calibration function log K versus log Pow, the corresponding log Pow was determined as 2.162 +/- 0.009. This value is the mean +/- standard deviation of three independant determinations