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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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:
1999
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
other: The study was conducted by a well experienced research laboratory and in accordance with several internationally acknowledged guidelines.

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
1999
Report date:
1999

Materials and methods

Test guidelineopen allclose all
Qualifier:
according to guideline
Guideline:
EU Method A.8 (Partition Coefficient)
Deviations:
yes
Remarks:
Acetonitril/water was used as mobile phase instead of methanole/ water as given in the guidelines
Qualifier:
according to guideline
Guideline:
OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
Deviations:
yes
Remarks:
Acetonitril/water was used as mobile phase instead of methanole/ water as given in the guidelines
Qualifier:
according to guideline
Guideline:
EPA OPPTS 830.7570 (Partition Coefficient, n-octanol / H2O, Estimation by Liquid Chromatography)
Deviations:
yes
Remarks:
Acetonitril/water was used as mobile phase instead of methanole/ water as given in the guidelines
GLP compliance:
not specified
Type of method:
HPLC method
Partition coefficient type:
octanol-water

Test material

Constituent 1
Chemical structure
Reference substance name:
1-(2,6-dimethylphenoxy)acetone
EC Number:
258-292-2
EC Name:
1-(2,6-dimethylphenoxy)acetone
Cas Number:
53012-41-2
Molecular formula:
C11H14O2
IUPAC Name:
1-(2,6-dimethylphenoxy)propan-2-one

Study design

Analytical method:
high-performance liquid chromatography

Results and discussion

Partition coefficient
Type:
log Pow
Partition coefficient:
2.3
Temp.:
20 °C

Any other information on results incl. tables

Capacity Factor k' and log Pow of the Reference compounds

 Compound  Number of analysis  Retention Time [min]*  Capacity Factor1  log k'1  log Pow2
 Formamide ( = dead time)  3  1.83  n.a  n.a     n.a
 Reference Compounds:             
 Anilin  3  3.66  1.0  0.00     0.9
 4-Methoxyphenol  3  3.20  0.8  -0.12     1.3
Nitrobenzene  3  6.85  2.7  0.44     1.9
 Benzene  3  8.99  3.9  0.59     2.1
 Toluene  3  13.69  6.5  0.81     2.7
 Bromobenzene  3  15.69  7.6  0.88     3.0
 1,4-Dichlorobenzene  3  22.75  11.4  1.06    3.4  
 Biphenyl  3  30.66  15.8  1.20     4.0
 1,2,4-Trichlorobenzene  2  39.11  20.4  1.31     4.2
 Fluoranthene  3  70.29  37.4  1.57    4.7  

n.a. not applicable

1 values represent rounded results calculated from the exact raw data

2log Pow values as given in OECD Guideline No. 117

* mean value of three measurements

Capacity Factor k' and log Pow of the Test Substance

Compound   Number of analysis  Retention Time [min]*  Capacity Factor2  log k'   log Pow2
 2,6-DMPA  1  8.33 3.6  0.56  
 2,6-DMPA  2 8.33  3.6  0.56  
 2,6-DMPA  3  8.33  3.6  0.56  
 mean value1    8.33  3.6  0.56  2.3

1 mean value of three measurements, values represent rounded results calculated from the exact raw data

2 calculated according to equation I

3 calculated from regression data

Applicant's summary and conclusion

Conclusions:
The log Pow of 2,6-DMPA was determined to be 2.3 at 20°C.