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Administrative data

Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
weight of evidence
Study period:
2017-03-08 - 2017-09-13
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
other: Study conducted to GLP in compliance with agreed protocols, with no or minor deviations from standard test guidelines and/or minor methodological deficiencies, which do not affect the quality of the relevant results.

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2017
Report date:
2017

Materials and methods

Test guideline
Qualifier:
according to guideline
Guideline:
OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
Version / remarks:
EC Guideline A.24. Partition Coefficient (n-octanol/water), High Performance Liquid Chromatography (HPLC) Method. March 1, 2016.
EPA Product Properties Test Guideline OPPTS 830.7570: Partition Coefficient (n-octanol/water), Estimation by Liquid Chromatography. August 1996.
Deviations:
no
GLP compliance:
yes
Type of method:
HPLC method
Partition coefficient type:
octanol-water

Test material

Constituent 1
Chemical structure
Reference substance name:
Tributylphosphine
EC Number:
213-651-2
EC Name:
Tributylphosphine
Cas Number:
998-40-3
Molecular formula:
C12H27P
IUPAC Name:
tributylphosphine
Test material form:
not specified

Study design

Analytical method:
high-performance liquid chromatography

Results and discussion

Partition coefficientopen allclose all
Type:
log Pow
Partition coefficient:
6.8
Remarks on result:
other: Calculated
Type:
log Pow
Partition coefficient:
3.1
Temp.:
30 °C
pH:
7
Remarks on result:
other: Major hydrolysis product
Type:
log Pow
Partition coefficient:
3
Temp.:
30 °C
pH:
11
Remarks on result:
other: Major hydrolysis product

Any other information on results incl. tables

The calculation method was used for a preliminary estimation of the Pow of the test item. Calculation was performed using the Rekker calculation method (PrologP 6.0, module in Pallas 3.0, CompuDrug International, San Francisco, CA, USA). The Pow of the test item was calculated to be 5.9 x 10e6 (log Pow 6.8) using the Rekker calculation method. Based on the calculation it was decided to perform the HPLC method for the determination of the Pow of the test item.

The HPLC Pow and log Pow values of the test item at pH 7 and pH 11 were:

 

pH 7

 

 

pH 11

 

 

 

Pow

log Pow

Peak area
(%)

Pow

log Pow

Peak area
(%)

Test item – peak 1

3.8x101

1.6

5.6

n.a.

n.a.

5.4

Test item – peak 2

2.2x102

2.3

7.4

2.4x101

1.4

5.0

Test item – peak 3

1.2x103

3.1

71

1.8x102

2.3

10

Test item – peak 4

7.9x103

3.9

2.4

9.9x102

3.0

62

Test item – peak 5

1.5x107

> 6.5

13

7.4x103

3.9

2.2

Test item – peak 6

-

-

-

 

> 6.5

15

 

Applicant's summary and conclusion

Conclusions:
The Pow of the test item was calculated to be 5.9 x 10e6 (log Pow 6.8) using the Rekker calculation method. Using the HPLC method, the log Pow is >= 3.1 for 86.4% of the analysed substances.
Executive summary:

Tributylphosphine oxidizes readily in contact with water. The Pow of the test item was calculated to be 5.9 x 10e6 (log Pow 6.8) using the Rekker calculation method.

The OECD 117 test measured 6 peaks in the HPLC analysis corresponding to 6 different hydrolysis products (no analytical monitoring could be done to determine what these products were). The log Pow measured for the major component (largest peak area measured) was 3.1 at pH 7 and 3.0 at pH 11. When taking into account the peaks from the components above that indicates that in total the log Pow is >= 3.1 for 86.4% of the analysed substances.

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