Registration Dossier
Registration Dossier
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EC number: 226-408-0 | CAS number: 5395-50-6
Partition coefficient
Administrative data
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 002
- Report date:
- 2002
Materials and methods
Test guideline
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- flask method
- Partition coefficient type:
- octanol-water
Test material
- Reference substance name:
- Tetrahydro-1,3,4,6-tetrakis(hydroxymethyl)imidazo[4,5-d]imidazole-2,5(1H,3H)-dione
- EC Number:
- 226-408-0
- EC Name:
- Tetrahydro-1,3,4,6-tetrakis(hydroxymethyl)imidazo[4,5-d]imidazole-2,5(1H,3H)-dione
- Cas Number:
- 5395-50-6
- Molecular formula:
- C8H14N4O6
- IUPAC Name:
- 1,3,4,6-tetrakis(hydroxymethyl)-octahydro-[1,3]diazolo[4,5-d]imidazole-2,5-dione
- Test material form:
- liquid
Constituent 1
Study design
- Analytical method:
- other: thermal conductivity detection
Results and discussion
Partition coefficientopen allclose all
- Key result
- Type:
- log Pow
- Partition coefficient:
- -2.5
- Temp.:
- 24 °C
- pH:
- 5
- Key result
- Type:
- log Pow
- Partition coefficient:
- -2
- Temp.:
- 24 °C
- pH:
- 7
- Key result
- Type:
- log Pow
- Partition coefficient:
- -2.9
- Temp.:
- 24 °C
- pH:
- 9
Any other information on results incl. tables
Results:
log Pow at pH = 5 and T = 24°C ± 1°C is -2.5
log Pow at pH = 7 and T = 24°C ± 1°C is -2.0
log Pow at pH = 9 and T = 24°C ± 1°C is -2.9
theoretical values:
a) tetramethylolacetylene diurea = - 7.9
b) trimethylolacetylene diurea = - 6.6
c) dimethylolacetylene diurea = - 5.4
d) monomethylolacetylene diurea = - 4.5
e) acetylene diurea = - 3.3
f) formaldehyde =0.4
The measured values give a sum parameter of all components in solution, which contain nitrogen. These are the main component tetramethylolacetylene diurea and all components
that might be formed by decomposition of the main component in aqueous solution: tri-, di-, monomethylo/acetylene diurea and acetylene diurea. Therefore the theoretical values are
given for these five substances and for formaldehyde.
Applicant's summary and conclusion
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