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Partition coefficient

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Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
supporting study
Study period:
2010-08-16
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: Well described GLP compliant study conducted to recognized international test guidelines
Qualifier:
according to
Guideline:
EU Method A.8 (Partition Coefficient)
Deviations:
no
GLP compliance:
yes
Type of method:
shake-flask method to: flask method
Partition coefficient type:
octanol-water
Type:
log Pow
Partition coefficient:
-0.96
Temp.:
50 °C
pH:
6

Standard deviation of Pow values <0.01

log Pow of reference substances:

Methanol = - 0.77

Formic acid = -0.54

Ethanol = -0.31

Methyl acetate = 0.18

2 -butanone = 0.28

4 -acetylpyridine = 0.50

Ethyl acetate = 0.73

Benzyl alcohol = 1.10

Conclusions:
Log Pow of test substance is -0.96 indicating a low partitioning potential.
Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
supporting study
Study period:
2010-08-16
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: Well described GLP compliant study conducted to recognized international test guidelines
Qualifier:
according to
Guideline:
EU Method A.8 (Partition Coefficient)
Deviations:
no
GLP compliance:
yes
Type of method:
HPLC method
Partition coefficient type:
octanol-water
Type:
log Pow
Partition coefficient:
-0.12
Temp.:
25 °C
pH:
2.5

Standard deviation of Pow values <0.01

log Pow of reference substances:

Methanol = - 0.77

Formic acid = -0.54

Ethanol = -0.31

Methyl acetate = 0.18

2 -butanone = 0.28

4 -acetylpyridine = 0.50

Ethyl acetate = 0.73

Benzyl alcohol = 1.10

Conclusions:
Log Pow of test substance is -0.12 indicating a low partitioning potential.
Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Study period:
2010-08-16
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
other: Well described GLP compliant study conducted to recognized international test guidelines
Qualifier:
according to
Guideline:
EU Method A.8 (Partition Coefficient)
Deviations:
no
GLP compliance:
yes
Type of method:
HPLC method
Partition coefficient type:
octanol-water
Type:
log Pow
Partition coefficient:
0.12
Temp.:
25 °C
pH:
2.5

Standard deviation of Pow values <0.01

log Pow of reference substances:

Methanol = - 0.77

Formic acid = -0.54

Ethanol = -0.31

Methyl acetate = 0.18

2 -butanone = 0.28

4 -acetylpyridine = 0.50

Ethyl acetate = 0.73

Benzyl alcohol = 1.10

Conclusions:
Log Pow of test substance is 0.12 indicating a low partitioning potential.
Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
supporting study
Study period:
2010-08-16
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: Well described GLP compliant study conducted to recognized international test guidelines
Qualifier:
according to
Guideline:
EU Method A.8 (Partition Coefficient)
Deviations:
no
GLP compliance:
yes
Type of method:
HPLC method
Partition coefficient type:
octanol-water
Type:
log Pow
Partition coefficient:
0.41
Temp.:
25 °C
pH:
2.5

Standard deviation of Pow values 0.01

log Pow of reference substances:

Methanol = - 0.77

Formic acid = -0.54

Ethanol = -0.31

Methyl acetate = 0.18

2 -butanone = 0.28

4 -acetylpyridine = 0.50

Ethyl acetate = 0.73

Benzyl alcohol = 1.10

Conclusions:
Log Pow of test substance is 0.41 indicating a low partitioning potential.
Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
supporting study
Study period:
2010-08-16
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: Well described GLP compliant study conducted to recognized international test guidelines
Qualifier:
according to
Guideline:
EU Method A.8 (Partition Coefficient)
Deviations:
no
GLP compliance:
yes
Type of method:
HPLC method
Partition coefficient type:
octanol-water
Type:
log Pow
Partition coefficient:
-0.4
Temp.:
25 °C
pH:
2.5

Standard deviation of Pow values <0.01

log Pow of reference substances:

Methanol = - 0.77

Formic acid = -0.54

Ethanol = -0.31

Methyl acetate = 0.18

2 -butanone = 0.28

4 -acetylpyridine = 0.50

Ethyl acetate = 0.73

Benzyl alcohol = 1.10

Conclusions:
Log Pow of test substance is -0.40 indicating a low partitioning potential.
Endpoint:
partition coefficient
Type of information:
calculation (if not (Q)SAR)
Remarks:
Migrated phrase: estimated by calculation
Adequacy of study:
supporting study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: estimated by calculation
Qualifier:
no guideline followed
Principles of method if other than guideline:
QSAR
GLP compliance:
no
Partition coefficient type:
octanol-water
Type:
log Pow
Partition coefficient:
ca. -1.17
Temp.:
25 °C
pH:
ca. 7

Description of key information

The measured Log Pow of the 5 aromatic sulphonic acids is less than 1.0. It ranges from -0.96 to 0.41 and indicates a low partitioning potential from water.

Key value for chemical safety assessment

Log Kow (Log Pow):
-0.41
at the temperature of:
25 °C

Additional information

Measured using the HPLC Method. The higher value has been taken into account for Chemical Safety Assessment.