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EC number: 290-824-9 | CAS number: 90268-24-9
Water solubility
Administrative data
- Endpoint:
- water solubility
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- comparable to guideline study with acceptable restrictions
- Remarks:
- test procedure similar to OECD 105
Cross-reference
- Reason / purpose for cross-reference:
- reference to same study
Reference
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- study well documented, meets generally accepted scientific principles, acceptable for assessment
- Remarks:
- Test procedure according to method of Analytical Expert Group ETAD (Ecological and Toxicological Association of Dyes and Organic Pigment Manufacturer)
- Reason / purpose for cross-reference:
- reference to same study
- Qualifier:
- according to guideline
- Guideline:
- other: ETAD Analytical Expert Group
- Version / remarks:
- method for substances with very low solubilty in both water and n-octanol
- Principles of method if other than guideline:
- Determination of solubility in n-octanol and calculation of log Pow with water solubility
- Type of method:
- estimation method (solubility ratio)
- Partition coefficient type:
- octanol-water
- Analytical method:
- photometric method
- Type:
- Pow
- Partition coefficient:
- 20.5
- Temp.:
- 24 °C
- pH:
- ca. 7
- Type:
- log Pow
- Partition coefficient:
- 1.3
- Temp.:
- 24 °C
- pH:
- ca. 7
- Details on results:
- Pow and log Pow were calculated from equilibrium concentrations in n-octanol (see below) and in water (see section 4.8)
- Conclusions:
- The test substance has a log Pow of 1.3.
- Executive summary:
The log Pow of the test substance was calculated from the equilibrium concentrations in water and in n-octanol. The log Pow at 24-25 °C was 1.3.
The solubility in n-octanol was determined to be 41 µg/L at 24-25°C. This figure represents the mean of 3 determinations (range: 38 -42 µg/L, sigma = 2). The solubility in water was determined to be 2 µg/L (section 4.8)
These solubilities (equilibrium concentrations considering the tests performed) are used to calculate Pow with the following equation:
Pow = equilibrium concentration in n-octanol / equilibrium concentration in water
Pow = 41 µg/L / 2 µg/L
Pow = 20.5
log Pow = 1.3
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 008
- Report date:
- 2008
Materials and methods
Test guideline
- Qualifier:
- equivalent or similar to guideline
- Guideline:
- OECD Guideline 105 (Water Solubility)
- Deviations:
- yes
- Remarks:
- modified taking into account the very low water solubility of the test substance
- Principles of method if other than guideline:
- Determination of water solubility by UV-vis spectrometry
- Type of method:
- flask method
Test material
- Reference substance name:
- Butanamide, 2,2'-[(3,3'-dichloro[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis[3-oxo-, N,N'-bis(4-chloro-2,5-dimethoxyphenyl and 2,4-xylyl) derivs.
- EC Number:
- 290-824-9
- EC Name:
- Butanamide, 2,2'-[(3,3'-dichloro[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis[3-oxo-, N,N'-bis(4-chloro-2,5-dimethoxyphenyl and 2,4-xylyl) derivs.
- Cas Number:
- 90268-24-9
- Molecular formula:
- C36H34Cl2N6O4 // C36H33Cl3N6O6 // C36H32Cl4N6O8
- IUPAC Name:
- 2-[(1E)-2-{3,3'-dichloro-4'-[(1E)-2-{1-[(2,4-dimethylphenyl)carbamoyl]-2-oxopropyl}diazen-1-yl]-[1,1'-biphenyl]-4-yl}diazen-1-yl]-N-(2,4-dimethylphenyl)-3-oxobutanamide; N-(4-chloro-2,5-dimethoxyphenyl)-2-[(1E)-2-{3,3'-dichloro-4'-[(1E)-2-{1-[(2,4-dimethylphenyl)carbamoyl]-2-oxopropyl}diazen-1-yl]-[1,1'-biphenyl]-4-yl}diazen-1-yl]-3-oxobutanamide; N-(4-chloro-2,5-dimethoxyphenyl)-2-[(1E)-2-{3,3'-dichloro-4'-[(1E)-2-{1-[(4-chloro-2,5-dimethoxyphenyl)carbamoyl]-2-oxopropyl}diazen-1-yl]-[1,1'-biphenyl]-4-yl}diazen-1-yl]-3-oxobutanamide
- Test material form:
- solid: nanoform
Constituent 1
Results and discussion
Water solubility
- Water solubility:
- 2.3 µg/L
- Temp.:
- 24 °C
- pH:
- ca. 7
- Details on results:
- The value given refers to room temperature (24-25 °C, see above) and represents the mean from 3 determinations (sigma = 0.1). Individual values were: 1, 3 and 3 µg/L.
Applicant's summary and conclusion
- Conclusions:
- The test substance is practially insoluble in water (< 0.1 mg/L)
- Executive summary:
The water solubility of the test substance was determined using UV-vis spectrometry. The water solubility at 24-25 °C was 2.3 µg/L.
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