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Physical & Chemical properties

Partition coefficient

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Administrative data

Link to relevant study record(s)

Reference
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

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  
HPLC (MSC)

Calculated Log POW 
 (ECOSAR) with CAS number

MiramerS512

=Tri(2-hydroxyethyl)isocyanurate triacrylate

/Tri(2-hydroxyethyl)isocyanurate diacrylate

1.533 (91.89%)

3.745

 

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. 

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