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EC number: 807-413-2 | CAS number: 70280-68-1
Partition coefficient
Administrative data
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 02 March 2015-19 June 2015
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- other: GLP-compliant study in accordance with EC A.8, OECD 117 and EPA OPPTS 830.7570.
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 015
- Report date:
- 2015
Materials and methods
Test guidelineopen allclose all
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient)
- Version / remarks:
- (2008)
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
- Version / remarks:
- (2004)
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- EPA OPPTS 830.7570 (Partition Coefficient, n-octanol / H2O, Estimation by Liquid Chromatography)
- Version / remarks:
- (1996)
- Deviations:
- no
- GLP compliance:
- yes
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
Test material
- Reference substance name:
- 3-[3-(1,1,1,3,5,5,5-heptamethyltrisiloxan-3-yl)propoxy]propane-1,2-diol
- EC Number:
- 807-413-2
- Cas Number:
- 70280-68-1
- Molecular formula:
- C13H34O5Si3
- IUPAC Name:
- 3-[3-(1,1,1,3,5,5,5-heptamethyltrisiloxan-3-yl)propoxy]propane-1,2-diol
- Test material form:
- other: Liquid
- Details on test material:
- - Name (as cited in study report): X-22-1927
- Appearance: clear light yellow liquid
- Storage conditions: at room temperature
Constituent 1
Results and discussion
Partition coefficientopen allclose all
- Type:
- log Pow
- Partition coefficient:
- > 4.9
- Remarks on result:
- other: Calculated from the solubilities.
- Type:
- log Pow
- Partition coefficient:
- 5.6
- Remarks on result:
- other: Non-buffered mobile phase.
- Details on results:
- One test substance peak was observed in the chromatogram of the test substance solution.
Any other information on results incl. tables
Table: Results HPLC method
Substance |
tr1 [min] |
tr2 [min] |
mean tr [min] |
log Pow |
Pow |
|
|
|
|
|
|
Formamide |
0.612 |
0.616 |
0.614 |
|
|
|
|
|
|
|
|
1,4-Dichlorobenzene |
1.835 |
1.832 |
|
3.4 |
|
Biphenyl |
2.428 |
2.423 |
|
4.0 |
|
1,2,4-Trichlorobenzene |
2.797 |
2.791 |
|
4.2 |
|
Dibenzyl |
3.944 |
3.934 |
|
4.8 |
|
Triphenylamine |
7.113 |
7.088 |
|
5.7 |
|
4,4’-DDT |
10.112 |
10.073 |
|
6.5 |
|
|
|
|
|
|
|
Test substance |
5.985 |
5.986 |
5.986 |
5.6 |
3.6E05 |
|
|
|
|
|
|
Applicant's summary and conclusion
- Conclusions:
- In a GLP-compliant study in accordance with EC A.8, OECD 117 and EPA OPPTS 830.7570, the log Pow was calculated from the solubilities in n-octanol and water to be > 4.9. The HPLC method resulted in a log Pow of 5.6. Because the HPLC method is in principle not applicable to surface active substances, the log Pow of X-22-1927 is concluded to be > 4.9.
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