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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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

Physical & Chemical properties

Partition coefficient

Currently viewing:

Administrative data

Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
other: Guideline study

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Report date:
2015

Materials and methods

Test guideline
Qualifier:
according to guideline
Guideline:
OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
Deviations:
no
GLP compliance:
no
Type of method:
HPLC method
Partition coefficient type:
octanol-water

Test material

Constituent 1
Chemical structure
Reference substance name:
Hexachloroacetone
EC Number:
204-129-5
EC Name:
Hexachloroacetone
Cas Number:
116-16-5
Molecular formula:
C3Cl6O
IUPAC Name:
hexachloropropan-2-one
Test material form:
other: liquid
Details on test material:
Batch number: 1HC1502005

Study design

Analytical method:
high-performance liquid chromatography

Results and discussion

Partition coefficient
Type:
log Pow
Partition coefficient:
2.59
Temp.:
30 °C
Remarks on result:
other: pH not reported
Details on results:
y = 1.3594x + 1.7729
R² = 0.9367

log k = 0.599; log Pow = 2.59
confidence interval at 95%

Any other information on results incl. tables

Substance average of retention times tR [min] retention factor k = (tR – t0) / t0 log k Log Pow

thiourea 1.455

2',4',6'-trihydroxyacetophenone 2.664 0.499 -0.080 1.79

acetophenone 3.599 0.674 0.168 1.70

2',6'-dihydroxyacetophenone 3.956 0.899 0.235 2.27

chlorobenzene 11.665 1.177 0.846 2.80

benzophenone 15.305 2.069 0.979 3.20

1,4-dichlorobenzene 23.422 3.606 1.179 3.40

hexachloroacetone 7.231 3.970 0.599 2.59

Applicant's summary and conclusion