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EC number: 252-650-1 | CAS number: 35636-63-6
Partition coefficient
Administrative data
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 2011
- 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
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 008
- Report date:
- 2008
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 solubility 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:
- Dimethyl 2-[[1-[[(2,3-dihydro-2-oxo-1H-benzimidazol-5-yl)amino]carbonyl]-2-oxopropyl]azo]terephthalate
- EC Number:
- 252-650-1
- EC Name:
- Dimethyl 2-[[1-[[(2,3-dihydro-2-oxo-1H-benzimidazol-5-yl)amino]carbonyl]-2-oxopropyl]azo]terephthalate
- Cas Number:
- 35636-63-6
- Molecular formula:
- C21H19N5O7
- IUPAC Name:
- dimethyl 2-({2-oxo-1-[(2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)carbamoyl]propyl}diazenyl)terephthalate
- Test material form:
- solid: nanoform
Constituent 1
Study design
- Analytical method:
- photometric method
Results and discussion
Partition coefficientopen allclose all
- Type:
- Pow
- Partition coefficient:
- 13.73
- Temp.:
- 23 °C
- pH:
- ca. 7
- Type:
- log Pow
- Partition coefficient:
- 1.14
- Temp.:
- 23 °C
- pH:
- ca. 7
Any other information on results incl. tables
The n-octanol and the water solubility were both determined at 23 -24 °C.
It is not possible to enter a temperature range in the field above, therefore 23 °C was taken as the temperature value.
Calculation:
log Kow = logP = log (c(n-octanol)/c(water))
(c: individual solubilities; see below).
n-octanol solubility: 3020 µg/L
water solubility: 220 µg/L
pow: 13.73
log pow: 1.14
Applicant's summary and conclusion
- Conclusions:
- The calculated log Pow of the test substance is 1.14.
- 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 1.14.
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