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Administrative data

Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Study period:
30 September 2009- 6 January 2010
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
other: This study has been performed according to OECD and EC guidelines and according to GLP principles.

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2010
Report date:
2010

Materials and methods

Test guidelineopen allclose all
Qualifier:
according to guideline
Guideline:
OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
Deviations:
no
Qualifier:
according to guideline
Guideline:
EU Method A.8 (Partition Coefficient)
Deviations:
no
GLP compliance:
yes (incl. QA statement)
Type of method:
HPLC method
Partition coefficient type:
octanol-water

Test material

Constituent 1
Chemical structure
Reference substance name:
Tris(methylphenyl) phosphite
EC Number:
247-119-6
EC Name:
Tris(methylphenyl) phosphite
Cas Number:
25586-42-9
Molecular formula:
C21H21O3P
IUPAC Name:
tris(methylphenyl) phosphite
Details on test material:
- Name of test material (as cited in study report): TTP
- Molecular formula: C21H21PO3
- Molecular weight: 352
- Substance type: Clear colourless liquid
- Physical state: liquid
- Analytical purity:>92,1%
- Impurities: - 7,5% Phosphorochloridous acid, bis-methylphenyl)ester
- 0,4% Cresol
(the initial purity information in the study report (which was 99%) has been corrected with an amendement of the report on 9. Nov 2011)
- Isomers composition: -
- Purity test date: -
- Lot/batch No: HR9C77938
- Expiration date of the lot/batch: 31 March 2010
- Stability under test conditions: Stable
- Storage condition of test material: At room temperature in the dark under nitrogen
- Other: Test substance handling: Reactive to moisture, handle in nitrogen environment in glove box

Study design

Analytical method:
high-performance liquid chromatography

Results and discussion

Partition coefficientopen allclose all
Type:
log Pow
Partition coefficient:
7
Temp.:
20
pH:
ca. 7
Remarks on result:
other: major component of TTP
Type:
Pow
Partition coefficient:
10 000 000
Temp.:
20
pH:
ca. 7
Remarks on result:
other: major component of TTP
Type:
log Pow
Partition coefficient:
3
Temp.:
20
pH:
ca. 7
Remarks on result:
other: impurity with a peak area > 1%
Type:
Pow
Partition coefficient:
1 000
Temp.:
20
pH:
ca. 7
Remarks on result:
other: impurity with a peak area > 1%

Any other information on results incl. tables

HPLC method:

In the chromatogram of the test substance solutions, one large and three small test substance peaks were observed. The large peak was considered to derive from the major component of the test substance and the small peaks were probably from impurities. The large peak had a retention time of 12.3 minutes. Under the same analytical conditions, the retention time of 2,4-DDT (log Pow= 6.5) was 9.2 minutes. Hence, the log Powof the major component of the test substance was calculated by extrapolation of the curve.

 

Major component:

Log Pow = 7.0; Pow =1.0 x 10^7 (peak area: 93%)

Impurity 1:

Log Pow = 3.0; Pow =1.0 x 10^3 (peak area: 5.4%)

Impurity 2:

Log Pow = 5.2; Pow =1.7 x 10^5 (peak area: 0.5%)

Impurity 3:

Log Pow = 5.5; Pow =3.3 x 10^5 (peak area: 0.6%)

Applicant's summary and conclusion

Conclusions:
The Pow (and log Pow) value of the major component of TTP and an impurity with a peak area > 1% are 7.0 (and 1.0x10^7) and 3.0 (and 1.0x10^3), respectively at neutral pH and 20°C.

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