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EC number: 915-672-9 | CAS number: -
Partition coefficient
Administrative data
Link to relevant study record(s)
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 2017.05.18
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- guideline study without detailed documentation
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
- Deviations:
- no
- GLP compliance:
- not specified
- Other quality assurance:
- other: Not Specified but most likely ISO 17025 Certified
- Type of method:
- HPLC method
- Remarks:
- High Performance Liquid Chromatography with UV detection
- Partition coefficient type:
- octanol-water
- Specific details on test material used for the study:
- Miramer S512 (Reaction mass of tris(2-hydroxyethyl)isocyanurate triacrylate (THEICTA) and tris(2-hydroxyethyl)isocyanurate diacrylate (THEICDA)) (Lot # 170118311)
- Key result
- Type:
- log Pow
- Partition coefficient:
- 1.767
- Temp.:
- 25 °C
- pH:
- ca. 7
- Remarks on result:
- other: THEICTA
- Remarks:
- Temperature actually not reported
- Key result
- Type:
- log Pow
- Partition coefficient:
- 1.12
- Temp.:
- 25 °C
- pH:
- ca. 7
- Remarks on result:
- other: Temperature actually not reported
- Remarks:
- THEICDA
- Conclusions:
- MIRAMER S512 is a multi-constituent substance. Log Pow for the major component of MIRAMER S512 was experimentally determined to be 1.767 for THEICTA and 1.121 for THEICDA and Log Pow between 0.301 and 2.742. for the minor component.
- Executive summary:
Determination of the partition coefficient in n-octanol/ Water (Log POW) of MIRAMER S512 ( Reaction mass of tris(2-hydroxyethyl)isocyanurate triacrylate (THEICTA) and tris(2-hydroxyethyl)isocyanurate diacrylate (THEICDA)) was performed according to OECD TG 117 with High Performance Liquid Chromatography with UV detection. MIRAMER S512 is a multi-constituent substance. Log Pow for the major components of MIRAMER S512 was experimentally determined to be 1.767 for THEICTA and 1.121 for THEICDA and Log Pow between 0.301 and 2.742. for the minor component.
Reference
1.a- Experimental values
Miramer S512(#Lot170118311) |
Retention time(minutes) |
Log POW |
Area (%) |
Tri(2-hydroxyethyl)isocyanurate triacrylate(THEICTA) |
3.633 |
1.767 |
67.49 |
Component 1 |
2.222 |
0.301 |
0.08 |
Tri(2-hydroxyethyl)isocyanurate diacrylate(THEICDA) |
2.925 |
1.121 |
17.18 |
Component 2 |
3.988 |
2.046 |
7.22 |
Component 3 |
5.036 |
2.742 |
0.51 |
Figure1. HPLC-UV chromatogram of MiramerS512 (Lot #170118311)solution - see test report
1. b- Calculated value
Substance |
Experimental Log POW |
Calculated Log POW |
MiramerS512 =Tri(2-hydroxyethyl)isocyanurate triacrylate /Tri(2-hydroxyethyl)isocyanurate diacrylate |
1.533 (91.89%) |
3.745 |
Description of key information
The experimental log POW was determined to be 1.767 (67.49% of total base peak area, THEICTA) and 1.121 (17.15% of total base peak area, THEICDA) and for the minor components log POW values are between 0.301 and 2.742.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 1.533
- at the temperature of:
- 25 °C
Additional information
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