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EC number: - | CAS number: -
- 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
- Study period:
- April 27, 2020 - April 27, 2020
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- guideline study with acceptable restrictions
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 020
- Report date:
- 2021
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:
- Reaction products of 2,2'-(1,3-phenylenebis(oxy))diethanol with 2-(phenoxymethyl)oxirane and 2-isocyanatoethyl methacrylate
- Cas Number:
- 1431303-59-1
- Molecular formula:
- Not assigned for UVCB substance.
- IUPAC Name:
- Reaction products of 2,2'-(1,3-phenylenebis(oxy))diethanol with 2-(phenoxymethyl)oxirane and 2-isocyanatoethyl methacrylate
Constituent 1
- Specific details on test material used for the study:
- SOURCE OF TEST MATERIAL
- Source and lot/batch number of test material: LOT# 6252020
- Expiration date of the lot/batch: 9/30/2021
- Purity test date:10/21/2019
Study design
- Analytical method:
- high-performance liquid chromatography
- photometric method
Results and discussion
Partition coefficientopen allclose all
- Key result
- Type:
- log Pow
- Partition coefficient:
- 2.9
- Temp.:
- 22 °C
- Remarks on result:
- other: For isomer ER1GP-IEM, pH not measured
- Key result
- Type:
- log Pow
- Partition coefficient:
- 4.3
- Temp.:
- 22 °C
- Remarks on result:
- other: for isomer ER2GP-IEM, pH not measured.
- Key result
- Type:
- log Pow
- Partition coefficient:
- 5.6
- Temp.:
- 22 °C
- Remarks on result:
- other: for isomer ER3GP-IEM, pH not measured.
- Key result
- Type:
- log Pow
- Partition coefficient:
- 6.9
- Temp.:
- 22 °C
- Remarks on result:
- other: Extrapolated result for isomer ER4GP-IEM, pH not measured.
- Details on results:
- ERGP-IEM is a UVCB substance with four main isomeric mixturese. Duplicate analysis was performed. The retention times ranged from 1.25 - 8.59 minutes for the four main isomeric mixtures.
The calculated logKow was 2.9 for ER1GP-IEM, 4.3 for ER2GP-IEM, 5.6 for ER3GP-IEM and 6.9 for ER4GP-IEM at 22 °C. The log Kow value for ER4GP-IEM exceeded the highest Log Kow value in the reference substances, thus is an extrapolated value. The Kow values calculated from the log Kow were 772 (RPD=5.4%) for ER1GP-IEM, 17900 (RSD=2.3%) for ER2GP-IEM, 377000 (RSD=2.1%) for ER3GP-IEM, and 7440000 (RPD=0.93%) for ER4GP-IEM.
Any other information on results incl. tables
Table 1. Log Kow determination for ERGP-IEM using HPLC method
Substances |
Tr (min) |
k |
log k |
log Kow |
Formamide (T0) |
0.562 |
|
|
|
|
|
|
|
|
Aniline |
0.745 |
0.326 |
-0.487 |
0.9 |
Anisole |
1.06 |
0.886 |
-0.525 |
2.1 |
Toluene |
1.41 |
1.51 |
0.179 |
2.7 |
Benzophenone |
1.28 |
1.28 |
0.106 |
3.2 |
Diphenyl ethe |
1.86 |
2.31 |
0.364 |
4.2 |
Triphenylamine |
4.37 |
6.78 |
0.831 |
5.7 |
|
|
|
|
|
ER1GP-IEM (rep 1) |
1.26 |
1.24 |
0.0941 |
2.9 |
ER1GP-IEM (rep 2) |
1.25 |
1.22 |
0.0879 |
2.9 |
ER1GP-IEM average |
|
|
|
2.9 |
ER2GP-IEM (rep 1) |
2.17 |
2.86 |
0.457 |
4.3 |
ER2GP-IEM (rep 2) |
2.16 |
2.84 |
0.454 |
4.3 |
ER2GP-IEM average |
|
|
|
4.3 |
ER3GP-IEM (rep 1) |
4.19 |
6.46 |
0.810 |
5.6 |
ER3GP-IEM (rep 2) |
4.17 |
6.42 |
0.808 |
5.6 |
ER3GP-IEM average |
|
|
|
5.6 |
ER4GP-IEM (rep 1) |
8.59 |
14.3 |
1.15 |
6.9# |
ER4GP-IEM (rep 2) |
8.57 |
14.2 |
1.15 |
6.9# |
ER4GP_IEM average |
|
|
|
6.9# |
#Extrapolated value. The largest logKowvalue of the reference substances is 5.7.
Applicant's summary and conclusion
- Conclusions:
- The log Kow values of the four main isomeric mixtures of ERGP-IEM were 2.9 for ER1GP-IEM, 4.3 for ER2GP-IEM, 5.6 for ER3GP-IEM and 6.9 for ER4GP-IEM.
- Executive summary:
The partition coefficient n-octanol/water of ERGP-IEM was determined according to OECD Guideline 117 “Partition Coefficient (n-Octanol/Water): High Performance Liquid Chromatography (HPLC) Method.
For the test system, the calibration equation was established using six reference substances with known log Kow values of 0.9 - 5.7. The analysis was performed on a C18 column and with mobile phase of 75: 25 acetonitrile: water at 22 °C. ERGP-IEM is a UVCB substance with four main isomeric mixtures (>10%). Under the test condition, the log Kow values of the four main isomeric mixtures of ERGP-IEM were 2.9 for ER1GP-IEM, 4.3 for ER2GP-IEM, 5.6 for ER3GP-IEM and 6.9 for ER4GP-IEM.
This is a guideline study conducted under GLP. However, the reference substances are approved for use in the method but bear very little structural similarity to the test substance. Therefore, this study is considered reliable with acceptable restriction.
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