Registration Dossier
Registration Dossier
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EC number: 232-458-4 | CAS number: 8046-19-3 Extractives and their physically modified derivatives. It is a product which may contain resin acids and their esters, terpenes, and oxidation or polymerization products of these terpenes. (Liquidambar styraciflua, Hamamelidaceae).
Partition coefficient
Administrative data
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 25 Jul 2017-06 Nov 2017
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 018
- Report date:
- 2018
Materials and methods
Test guidelineopen allclose all
- Qualifier:
- according to guideline
- Guideline:
- other: EC Guideline A.24. Partition Coefficient (n-octanol/water), High Performance Liquid Chromatography (HPLC) Method. March 04, 2016.
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
- Qualifier:
- according to guideline
- Guideline:
- EPA OPPTS 830.7570 (Partition Coefficient, n-octanol / H2O, Estimation by Liquid Chromatography)
- GLP compliance:
- yes
- Type of method:
- HPLC method
- Remarks:
- Detailed analytical methodology is explained in Chapter 8 of IUCLID
- Partition coefficient type:
- octanol-water
Test material
- Reference substance name:
- Storax (balsam)
- EC Number:
- 232-458-4
- EC Name:
- Storax (balsam)
- Cas Number:
- 8046-19-3
- Molecular formula:
- Not applicable, UVCB - NCS
- IUPAC Name:
- Storax (balsam)
- Test material form:
- other: liquid
- Details on test material:
- CAS : 8046-19-3 EINECS : 232-458-4
- Name of test material (as cited in study report): STYRAX RESINOID OIL
- Test Facility test item number: 208399/A
- Appearance: Orange viscous liquid
- Substance type: pure substance
- Physical state: liquid
- Analytical purity: 100%
Constituent 1
Study design
- Analytical method:
- other: An ultra performance liquid chromatographic method with spectrophotometric detection (UPLC-UV)
Results and discussion
Partition coefficientopen allclose all
- Key result
- Type:
- log Pow
- Partition coefficient:
- 1.4
- Temp.:
- 20 °C
- pH:
- 7
- Remarks on result:
- other:
- Remarks:
- Log Pow was determined at neutral pH. No temperature was mentioned.
- Key result
- Type:
- log Pow
- Partition coefficient:
- 1.8
- Temp.:
- 20 °C
- pH:
- 7
- Remarks on result:
- other:
- Remarks:
- Log Pow was determined at neutral pH. No temperature was mentioned.
- Key result
- Type:
- log Pow
- Partition coefficient:
- 5.2
- Temp.:
- 20 °C
- pH:
- 7
- Remarks on result:
- other:
- Remarks:
- Log Pow was determined at neutral pH. No temperature was mentioned.
- Key result
- Type:
- log Pow
- Partition coefficient:
- 5.3
- Temp.:
- 20 °C
- pH:
- 7
- Remarks on result:
- other:
- Remarks:
- Log Pow was determined at neutral pH. No temperature was mentioned.
Any other information on results incl. tables
Results
Calculation Method
PowCalculation
The Powof one of the main components of the test item was calculated to be1.6x105(log Pow5.2) using the Rekker calculation method.
pKaValues
No pKavalues for acidic and basic groups in the molecular structureone of the main componentsof the test item in the logarithm range of 1 - 14 were calculated.
HPLC Method
UPLC-UV chromatograms of the test item solution and corresponding blank are shown in Figure 4 and Figure 5, respectively. In the chromatogram of the test solution, one major peak and several small test item peaks were observed.
The results of the HPLC method are given in the Table 11. Figure 6 shows the calibration curve of the log k’ of the reference substances as function of log Pow. The equation of the regression line was:
log k’ = 0.481 x log Pow– 0.740 (r = 0.9993, n = 12).
For all Figures and Tables please see the attached file.
Applicant's summary and conclusion
- Conclusions:
- The HPLC method at neutral pH was applied for the determination of the partition coefficient (Pow) of Styrax resinoid oil.
The Pow and log Pow values of the test item at neutral pH were:
Pow log Pow Peak area (%)
Test item – peak 1 2.6 x 10^1 1.4 15
Test item – peak 2 6.6 x 10^1 1.8 5.9
Test item – peak 3 1.5 x 10^5 5.2 59
Test item – peak 4 1.9 x 10^5 5.3 20 - Executive summary:
The HPLC method at neutral pH was applied for the determination of the partition coefficient (Pow) of Styrax resinoid oil according to the following guidelines:
· EC Guideline A.24. Partition Coefficient (n-octanol/water), High Performance Liquid Chromatography (HPLC) Method. March 04, 2016.
· OECD Guideline 117. Partition Coefficient (n-octanol/water), High Performance Liquid Chromatography (HPLC) Method. April 13, 2004.
· EPAProduct Properties Test Guideline OPPTS 830.7570: Partition Coefficient
(n-octanol/water), Estimation by Liquid Chromatography. August 1996.The Pow and log Pow values of the test item at neutral pH were:
Pow log Pow Peak area (%)
Test item – peak 1 2.6 x 10^1 1.4 15
Test item – peak 2 6.6 x 10^1 1.8 5.9
Test item – peak 3 1.5 x 10^5 5.2 59
Test item – peak 4 1.9 x 10^5 5.3 20
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