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Administrative data

Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Study period:
1999-12-22
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study

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:
OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
Qualifier:
according to guideline
Guideline:
EU Method A.8 (Partition Coefficient - HPLC Method)
Qualifier:
according to guideline
Guideline:
EPA OPPTS 830.7570 (Partition Coefficient, n-octanol / H2O, Estimation by Liquid Chromatography)
GLP compliance:
not specified
Type of method:
HPLC method
Partition coefficient type:
octanol-water

Test material

Constituent 1
Chemical structure
Reference substance name:
m-acetylphenyl acetate
EC Number:
219-524-8
EC Name:
m-acetylphenyl acetate
Cas Number:
2454-35-5
Molecular formula:
C10H10O3
IUPAC Name:
3-acetylphenyl acetate
Test material form:
solid

Study design

Analytical method:
high-performance liquid chromatography

Results and discussion

Partition coefficient
Key result
Type:
log Pow
Partition coefficient:
1.4
Temp.:
20 °C
Remarks on result:
other: pH not determined
Details on results:
The equation for the calibration graph was obtained by linear regression of the log Kow of the reference items against the log k of the reference items.

Any other information on results incl. tables

Table 1 Calibration Data of the Reference Items

Reference substance

Number of analysis

Retention time [min]

Capacity Factor

Log k

Log Pow

Formamide

3

1.83

 

 

Dead time

Anilin

3

3.66

1.0

0.00

0.9

4-Methoxy-phenol

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

6.5

0.88

3.0

1,4-Dichloro-benzene

3

22.75

11.4

1.06

3.4

Biphenyl

3

30.66

15.8

1.20

4.0

1,2,4-Trichloro- benzene

2

39.11

20.4

1.31

4.2

Fluoranthene

3

70.29

37.4

1.57

4.7

The linear regression obtained for the plot of log Pow versus log k (capacity factor) for the reference substances was:

Log Pow = 0.426*x – 0.428, with a correlation coefficient r2=0.991

Table 2 Retention Times, Capacity Factor and Partition Coefficient

Compound

Retention time [min]

Capacity Factor

Log k

Log Pow

3-Acetoxy-acetophenon

4.55

1.5

0.18

 

3-Acetoxy-acetophenon

4.55

1.5

0.18

 

3-Acetoxy-acetophenon

4.56

1.5

0.18

 

Mean value

4.55

1.5

0.18

1.4

Applicant's summary and conclusion

Conclusions:
The average retention time of the test substance 4.55 minutes, corresponding to a partition coefficient n-octanol/water of the test item of log Pow = 1.4.
Executive summary:

The test item has a partition coefficient of 1.4 at 20°C as determined by HPLC according to Regulation EC No. 440/2008 Method A.8 and OECD Test Guideline 117 (1989) and Product Properties test Guideline OPPTS 830.7570 of EPA (1996).

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