Registration Dossier
Registration Dossier
Diss Factsheets
Use of this information is subject to copyright laws and may require the permission of the owner of the information, as described in the ECHA Legal Notice.
EC number: 617-879-7 | CAS number: 865536-03-4
- Life Cycle description
- Uses advised against
- Endpoint summary
- Appearance / physical state / colour
- Melting point / freezing point
- Boiling point
- Density
- Particle size distribution (Granulometry)
- Vapour pressure
- Partition coefficient
- Water solubility
- Solubility in organic solvents / fat solubility
- Surface tension
- Flash point
- Auto flammability
- Flammability
- Explosiveness
- Oxidising properties
- Oxidation reduction potential
- Stability in organic solvents and identity of relevant degradation products
- Storage stability and reactivity towards container material
- Stability: thermal, sunlight, metals
- pH
- Dissociation constant
- Viscosity
- Additional physico-chemical information
- Additional physico-chemical properties of nanomaterials
- Nanomaterial agglomeration / aggregation
- Nanomaterial crystalline phase
- Nanomaterial crystallite and grain size
- Nanomaterial aspect ratio / shape
- Nanomaterial specific surface area
- Nanomaterial Zeta potential
- Nanomaterial surface chemistry
- Nanomaterial dustiness
- Nanomaterial porosity
- Nanomaterial pour density
- Nanomaterial photocatalytic activity
- Nanomaterial radical formation potential
- Nanomaterial catalytic activity
- Endpoint summary
- Stability
- Biodegradation
- Bioaccumulation
- Transport and distribution
- Environmental data
- Additional information on environmental fate and behaviour
- Ecotoxicological Summary
- Aquatic toxicity
- Endpoint summary
- Short-term toxicity to fish
- Long-term toxicity to fish
- Short-term toxicity to aquatic invertebrates
- Long-term toxicity to aquatic invertebrates
- Toxicity to aquatic algae and cyanobacteria
- Toxicity to aquatic plants other than algae
- Toxicity to microorganisms
- Endocrine disrupter testing in aquatic vertebrates – in vivo
- Toxicity to other aquatic organisms
- Sediment toxicity
- Terrestrial toxicity
- Biological effects monitoring
- Biotransformation and kinetics
- Additional ecotoxological information
- Toxicological Summary
- Toxicokinetics, metabolism and distribution
- Acute Toxicity
- Irritation / corrosion
- Sensitisation
- Repeated dose toxicity
- Genetic toxicity
- Carcinogenicity
- Toxicity to reproduction
- Specific investigations
- Exposure related observations in humans
- Toxic effects on livestock and pets
- Additional toxicological data

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:
- 2 014
Materials and methods
Test guideline
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
Test material
- Reference substance name:
- bis(11-methyldodecyl) ((((1,3-phenylenebis(methylene)bis(azanediyl))bis(carbonyl) bis(azanediyl))bis(4-methyl-3,1-phenylene) dicarbamate
- Cas Number:
- 865536-03-4
- Molecular formula:
- C52H80N6O6
- IUPAC Name:
- bis(11-methyldodecyl) ((((1,3-phenylenebis(methylene)bis(azanediyl))bis(carbonyl) bis(azanediyl))bis(4-methyl-3,1-phenylene) dicarbamate
- Reference substance name:
- bis(11-methyldodecyl)(4-methyl-1,3-phenylene)dicarbamate
- Molecular formula:
- C35H62N2O4
- IUPAC Name:
- bis(11-methyldodecyl)(4-methyl-1,3-phenylene)dicarbamate
- Reference substance name:
- 11-methyldodecyl (3-(3-(3-(aminomethyl)benzyl)ureido)-4-methylphenyl)carbamate
- Molecular formula:
- C30H46N4O3
- IUPAC Name:
- 11-methyldodecyl (3-(3-(3-(aminomethyl)benzyl)ureido)-4-methylphenyl)carbamate
- Reference substance name:
- 1,1'-(4-methyl-1,3-phenylene)bis(3-(3-(aminomethyl)benzyl)urea)
- Molecular formula:
- C25H30N6O2
- IUPAC Name:
- 1,1'-(4-methyl-1,3-phenylene)bis(3-(3-(aminomethyl)benzyl)urea)
- Test material form:
- solid
Constituent 1
Constituent 2
Constituent 3
Constituent 4
Study design
- Analytical method:
- high-performance liquid chromatography
Results and discussion
Partition coefficient
- Key result
- Type:
- log Pow
- Partition coefficient:
- >= 3.938 - <= 4.23
- Temp.:
- 25 °C
- pH:
- ca. 6
- Details on results:
- As peak 1 showed a relative area < 5 %, it was considered as minor peak.
Although area is not necessarily correlated to absolute concentration if a UV detector is
used, it is assumed that the test item consists mainly of the peaks 2 and 3. Using the correlation
log K / log POW, the log POW of the major components of test item Addukt TI 65 -
MXDA was calculated as 3.938– 4.230 (mean ± standard deviation).
Applicant's summary and conclusion
- Conclusions:
- Variations in the retention times of reference items and test item are very small. Therefore,
a stable configuration of the HPLC-column can be assumed.
The correlation log K/log POW is good: the coefficient of determination r2 was calculated
with 0.9905. This value was considered as sufficiently high to use the calibration function
for the determination of the log POW of the test item Addukt TI 65 - MXDA.
As peak 1 showed a relative area < 5 %, it was considered as minor peak. Although area
is not necessarily correlated to absolute concentration if UV detection is used, it is assumed
that the test item Addukt TI 65 - MXDA consists mainly of peak 2 and 3, indicating
that the log POW of Addukt TI 65 - MXDA should be stated as range from 3.938 - 4.230.
No observations were made which might cause doubts concerning the validity of the study
outcome. - Executive summary:
The study was performed using a HPLC with a C18 column. Six reference items with different
retention times and thiourea for the determination of the dead time were used to
produce a calibration curve, since retention time on hydrophobic columns and POW are
correlated. The reference items were chosen on behalf of the pre-test.
One vial was filled with the reference item mix and one vial with the test item solution. The
vials were analysed using the HPLC with the program described above. First one injection
from the solvent blank methanol/water 75/25 (v/v) was made. Then three injections were
measured from the reference item mix, three injections from the test item and again three
injections from the reference item mix.
For each reference item, the capacity factor K was calculated from the retention time of
thiourea and the retention time of the respective reference item.
A calibration function (log K versus log POW, linear fit) was determined using the literature
values for POW of the reference items and the retention times in the six determinations.
The chromatogram of the test item gave two major and one minor peaks. With the calibration
function log K versus log POW, the corresponding log POWs of the peaks were determined
with:
Peak Mean Area
[mAU*min]
Rel. Area % Mean Retention
Time [min]
Log POW
± Stand. Dev
1 0.167 3.304 5.287 3.602 ± 0.002
2 1.987 39.346 6.571 3.938 ± 0.003
3 2.896 57.350 8.030 4.230 ± 0.002
These values are the means ± standard deviations of three independent determinations
As peak 1, showed a relative area < 5 %, it was considered as minor peak and was not
taken into account in the determination of log POW of the test item.
Although area is not necessarily correlated to the absolute concentration, if a UV detector
is used, it is assumed that the test item consists mainly of peaks 2 and 3, indicating that
the log POW of the test item Addukt TI 65 - MXDA lies in the range of 3.938 - 4.230.
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
Reproduction or further distribution of this information may be subject to copyright protection. Use of the information without obtaining the permission from the owner(s) of the respective information might violate the rights of the owner.
