Registration Dossier
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EC number: 614-947-8 | CAS number: 693217-63-9
Partition coefficient
Administrative data
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 10 May - 19 July 2010
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- other: GLP/guideline study
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 010
- Report date:
- 2010
Materials and methods
Test guideline
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
- Deviations:
- not specified
- GLP compliance:
- yes
- Type of method:
- shake-flask method to: flask method
- Partition coefficient type:
- octanol-water
Test material
- Reference substance name:
- Soybean oil, reaction products with ethaneperoxoic acid
- Cas Number:
- 693217-63-9
- Molecular formula:
- C59 H106 O11
- IUPAC Name:
- Soybean oil, reaction products with ethaneperoxoic acid
- Test material form:
- liquid: viscous
- Details on test material:
- Agrol Polyol, lot number 09-3.6-ASO-010, from BioBased Technologies was used. The purity was >99%. Viscosity of the test material was 760. The hydroxyl value was 113 and the acid value was 0.3.
Constituent 1
Study design
- Analytical method:
- photometric method
Results and discussion
Partition coefficient
- Type:
- log Pow
- Partition coefficient:
- 3.82
- Temp.:
- 26.5 °C
- pH:
- 4
- Remarks on result:
- other: pH was adjusted to 4. Temperature is higher than OECD 107 recommends but authors believed the value was within the +/- 1C tolerance.
- Details on results:
- The overall mean log Pow was calculated to be 3.82 ± 0.26. The relative percent difference of the three pairs of results ranged from 2.2 to 6.2 %.
It is noted that the six log Pow measurements do not fall within 0.3 log units as is specified in the OECD 107 Method. The mean standard deviation is 0.26 log units over the six values so they are considered valid. It is recognized that the 1:2 octanol:water ratio behaves differently. This may be due to the Test Item being a UVCB substance.
Any other information on results incl. tables
Table1. Partition Coefficient Raw and Calculated Data for the Test Item
| n-Octanol: | Agrol Polyol | |||
| Buffer Ratio | n-Octanol (mg/L) | Buffer (mg/L) | Pow | log Pow |
| 1:1 | 10004 | 1.9 | 5343 | 3.73 |
| 10174 | 2.8 | 5497 | 3.56 | |
| 2:1 | 10272 | 1.9 | 5394 | 3.73 |
| 10082 | 2.3 | 4477 | 3.65 | |
| 1:2 | 10304 | 0.6 | 18201 | 4.26 |
| 9980 | 1.0 | 10104 | 4.00 | |
| Overall mean logPow (mean±standard deviation) | 3.82 + 0.26 | |||
Applicant's summary and conclusion
- Conclusions:
- The log Pow of Agrol® Polyol was calculated to be 3.82 ± 0.26 at an incubation temperature of 26.2 to 26.8 °C.
- Executive summary:
The Test Item, Agrol Polyol was tested by Investigative Science Incorporated (ISI) for vapor pressure according to Organization for Economic Co-operation and Development (OECD) methods. The tests were requested by BioBased Technologies LLC, Fayetteville, Arkansas.
The Test Item is an Unknown or Variable composition, Complex reaction products and Biological materials (UVCB) substance. This UVCB characteristic should be considered when interpreting the testing results.
The log Powof Agrol®Polyol was calculated to be 3.82 ± 0.26 at an incubation temperature of 26.2 to 26.8 °C.
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