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EC number: 235-427-3 | CAS number: 12225-18-2
Partition coefficient
Administrative data
- Endpoint:
- partition coefficient
- Type of information:
- calculation (if not (Q)SAR)
- Remarks:
- Migrated phrase: estimated by calculation
- Adequacy of study:
- key study
- Study period:
- 11 March 2011
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: Acceptable method for pigments with low solubilities
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 012
- Report date:
- 2012
Materials and methods
- Principles of method if other than guideline:
- Calculation of log Pow from the solubility in water-saturated octanol (see section 4.9) and the solubility in octanol-saturated water (see section 4.8, study report number 0675Ce).
- Type of method:
- other: calculation
- Partition coefficient type:
- octanol-water
Test material
- Reference substance name:
- N-(4-chloro-2,5-dimethoxyphenyl)-2-[[2,5-dimethoxy-4-[(phenylamino)sulphonyl]phenyl]azo]-3-oxobutyramide
- EC Number:
- 235-427-3
- EC Name:
- N-(4-chloro-2,5-dimethoxyphenyl)-2-[[2,5-dimethoxy-4-[(phenylamino)sulphonyl]phenyl]azo]-3-oxobutyramide
- Cas Number:
- 12225-18-2
- Molecular formula:
- C26H27ClN4O8S
- IUPAC Name:
- N-(4-chloro-2,5-dimethoxyphenyl)-2-{[2,5-dimethoxy-4-(phenylsulfamoyl)phenyl]diazenyl}-3-oxobutanamide
Constituent 1
Study design
- Analytical method:
- other: The analytical methods for the underlying data are given in section 4.8 and 4.9
Results and discussion
Partition coefficientopen allclose all
- Type:
- Pow
- Partition coefficient:
- 18.9
- Temp.:
- 26 °C
- pH:
- ca. 7
- Type:
- log Pow
- Partition coefficient:
- 1.3
- Temp.:
- 26 °C
- pH:
- ca. 7
- Details on results:
- See below
Any other information on results incl. tables
At ambient temperature (25 -26°C, 26°C given here), the solubility in octanol was determined to be 121 µg/L (section 4.9) and the solubility in water was determined to be 6.4 µg/L (section 4.8, study report number 0675Ce).
With the equation given above, the follwoing values were calculated:
Pow = 121 µg/L / 6.4 µg/L
Pow = 18.9
log Pow = 1.3
Applicant's summary and conclusion
- Conclusions:
- The test substance has a log Pow of 1.3.
- Executive summary:
The log Pow of the test substance was calculated from the solubilities in octanol-saturated water and in water-saturated octanol. The log Pow at 26 °C was 1.3.
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