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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:
2007
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
other: The study was conducted according to standard guidelines, not GLP.
Qualifier:
equivalent or similar to guideline
Guideline:
OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
Deviations:
not specified
GLP compliance:
no
Type of method:
HPLC method
Partition coefficient type:
octanol-water
Analytical method:
liquid chromatography
Key result
Type:
log Pow
Partition coefficient:
-1.95
Remarks on result:
other: Component 1 (0.28 area %)
Key result
Type:
log Pow
Partition coefficient:
0.12
Remarks on result:
other: Component 2 (PEDIA) (7.2 area %)
Key result
Type:
log Pow
Partition coefficient:
0.87
Remarks on result:
other: Component 3 (PEDIA-AA) (0.99 area %)
Key result
Partition coefficient:
1.07
Remarks on result:
other: Component 4 (0.35 area %)
Key result
Type:
log Pow
Partition coefficient:
1.45
Remarks on result:
other: Component 5 (PETIA) (27.14 area %)
Key result
Type:
log Pow
Partition coefficient:
1.64
Remarks on result:
other: Component 6 (PETIA-AA) (3.03 area %)
Key result
Type:
log Pow
Partition coefficient:
1.77
Remarks on result:
other: Component 7 (1.26 area %)
Key result
Type:
log Pow
Partition coefficient:
1.98
Remarks on result:
other: Component 8 (3.77 area %)
Key result
Type:
log Pow
Partition coefficient:
2.18
Remarks on result:
other: Component 9 (0.64 area %)
Key result
Type:
log Pow
Partition coefficient:
2.71
Remarks on result:
other: Component 10 (PETRA) (42.80 area %)
Key result
Type:
log Pow
Partition coefficient:
2.84
Remarks on result:
other: Component 11 (PETRA-AA) (4.79 area %)
Key result
Type:
log Pow
Partition coefficient:
3.11
Remarks on result:
other: Component 12 (PETRA-PETIA?) (7.78 area %)
Key result
Type:
log Pow
Partition coefficient:
1.99
Remarks on result:
other: Weighted average log Pow considering all the components of the substance and their area %.

Results table:

PETIA (#50501246) sample

Retention time

(minutes)

Log POW

Area (%)

Component 1

1.59

-1.95

0.28

Component 2  (PEDIA)

2.33

0.12

7.20

Component 3  (PEDIA-AA)

3.45

0.87

0.99

Component 4

3.95

1.07

0.35

Component 5 (PETIA)

5.24

1.45

27.14

Component 6  (PETIA-AA)

6.18

1.64

3.03

Component 7

6.90

1.77

1.26

Component 8

8.35

1.98

3.77

Component 9

10.09

2.18

0.64

Component 10 

17.16

2.71

42.80

Component 11   (PETRA-AA)

19.86

2.84

4.79

Component 12 (PETRA-PETIA?)

26.31

3.11

7.78
Conclusions:
Under the study conditions, following a conservative approach, the highest Pow value of 3.11 was selected as representative of the test substance.
Executive summary:

The test substance is a UVCB, with two major main constituents, i.e. pentaerythritol triacrylate (PETIA) and pentaerythritol tetraacrylate (PETRA). The log Pow of these two constituents were measured to be 1.45 and 2.71, respectively. Across all constituents, the log Pow ranged between -1.95 and 3.11. Only one constituent (likely PETRA-PETIA), present at 7.78 area %, had a log Pow > 3 (3.11). The weighted average log Pow for the substance considering all constituents and their area % is equivalent to 1.99. Under the study conditions, following a conservative approach, the highest Pow value of 3.11 was selected as representative of the test substance (Godts and Vandervorst, 2017).

Description of key information

The test substance is a UVCB, with two major main constituents, i.e. pentaerythritol triacrylate (PETIA) and pentaerythritol tetraacrylate (PETRA). The log Pow of these two constituents were measured to be 1.45 and 2.71, respectively. Across all constituents, the log Pow ranged between -1.95 and 3.11. Only one constituent (likely PETRA-PETIA), present at 7.78 area %, had a log Pow > 3 (3.11). The weighted average log Pow for the substance considering all constituents and their area % is equivalent to 1.99. Under the study conditions and following a conservative approach, the highest Pow value of 3.11 has been selected for risk assessment.

Key value for chemical safety assessment

Log Kow (Log Pow):
3.11

Additional information