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EC number: 235-462-4 | CAS number: 12236-62-3
Partition coefficient
Administrative data
- 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)
Data source
Referenceopen allclose all
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 005
- Report date:
- 2005
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 005
- Report date:
- 2005
Materials and methods
Test guideline
- Qualifier:
- according to guideline
- Guideline:
- other: ETAD Analytical expert group
- Version / remarks:
- method for substances with very low solubility in both water and n-octanol
- Principles of method if other than guideline:
- Calculation of log Pow from solubilities in n-octanol (see section 4.9) and water (see section 4.8).
- Type of method:
- estimation method (solubility ratio)
- Partition coefficient type:
- octanol-water
Test material
- Reference substance name:
- 2-[(4-chloro-2-nitrophenyl)azo]-N-(2,3-dihydro-2-oxo-1H-benzimidazol-5-yl)-3-oxobutyramide
- EC Number:
- 235-462-4
- EC Name:
- 2-[(4-chloro-2-nitrophenyl)azo]-N-(2,3-dihydro-2-oxo-1H-benzimidazol-5-yl)-3-oxobutyramide
- Cas Number:
- 12236-62-3
- Molecular formula:
- C17H13ClN6O5
- IUPAC Name:
- 2-[(4-chloro-2-nitrophenyl)diazenyl]-3-oxo-N-(2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)butanamide
- Test material form:
- solid: bulk
Constituent 1
Study design
- Analytical method:
- photometric method
Results and discussion
Partition coefficientopen allclose all
- Type:
- Pow
- Partition coefficient:
- 6.15
- Temp.:
- 24 °C
- pH:
- ca. 7
- Type:
- log Pow
- Partition coefficient:
- 0.79
- Temp.:
- 24 °C
- pH:
- ca. 7
Any other information on results incl. tables
The determinations of the solubility in water (section 4.8) and of the solubility in n-octanol (section 4.9) used the same batch of the test substance and were carried out at the same temperature (24 -25°C).
Calculation:
log Kow = logP = log (c(n-octanol)/c(water))
(c: individual solubilities; see below).
n-octanol solubility: 86.1 µg/L
water solubility: 14 µg/L
pow: 6.15
log pow: 0.79
Applicant's summary and conclusion
- Executive summary:
The partition coefficient of the test substance was estimated by calculation from the measured solubilities in water (see section 4.8) and n-octanol (see section 4.9). The calculated log Pow of the test substance is 0.79.
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