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EC number: 947-773-9 | CAS number: -
Partition coefficient
Administrative data
Link to relevant study record(s)
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 30 March 2017 - 11 December 2017
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient - HPLC Method)
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- EPA OPPTS 830.7570 (Partition Coefficient, n-octanol / H2O, Estimation by Liquid Chromatography)
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
- Specific details on test material used for the study:
- SOURCE OF TEST MATERIAL
- Batch No.of test material: AN-0400-111
- Expiration date of the lot/batch: 01 January 2019
- Purity : 100%
STABILITY AND STORAGE CONDITIONS OF TEST MATERIAL
- Storage condition of test material: Frozen at approximately -20 °C, under nitrogen, in the dark - Analytical method:
- high-performance liquid chromatography
- Key result
- Type:
- log Pow
- Partition coefficient:
- 7.79
- Remarks on result:
- other: Preliminary estimate
- Remarks:
- pH and T not available
- Key result
- Type:
- log Pow
- Partition coefficient:
- > 6.5 - < 10
- Remarks on result:
- other: pH and T not available
- Remarks:
- pH and T not available
- Conclusions:
- The partition coefficient of the test substance, Terpenes and terpenoids, turpentine oil, aplha-pinene fraction, dimers (greater than 99%), was determined to be greater than 3.16 x 10^6, log10 Pow >6.5.
- Executive summary:
The partition coefficient of the test substance, Terpenes and terpenoids, turpentine oil, alpha-terpene fraction, dimers was carried out using the HPLC method in a process compatible with Method A.8 Partition Coefficient of Commission Regulation (EC) No. 440/2008 of 30 May 2008, Method 117 of the OECD guidelines for Testing of Chemicals, 13 April 2004 and Method 830.7570 of the OCSPP Guidelines, August 1996.
A preliminary assessment of the partition coefficient was calculated using KOWWIN c1.68 and was determined to be log10 Pow 7.79. This result indicated that the HPLC method was suitable for the determination of the partition coefficient of the test material.
During the definitive test, the test item was diluted to 100 mL with tetrahydrofuran giving a final concentration of 1.11 x 10^3 mg/L. The dead time was determined via measuring the retention time of thiourea (purity > 99%, 20 mg/L solution in methanol: water 85:15 v/v). The series of reference standards were prepared in methanol. The sample, dead time and reference standard solutions were injected in duplicate into the HPLC instrument. The standard solutions were used to create a calibration curve. The gradient and intercept of this calibration curve were used to calculate the partition coefficient along with the capacity factor in the following equation: Log10 Pow = [Log10 k'-A]/B.
According to the result of this study, the partition coefficient of the test substance, Terpenes and terpenoids, turpentine oil, aplha-pinene fraction, dimers (greater than 99%), was determined to be greater than 3.16 x 10^6, log10 Pow >6.5.
Reference
Description of key information
The partition coefficient of the test substance, Terpenes and terpenoids, turpentine oil, alpha-terpene fraction, dimers was carried out using the HPLC method in a process compatible with Method A.8 Partition Coefficient of Commission Regulation (EC) No. 440/2008 of 30 May 2008, Method 117 of the OECD guidelines for Testing of Chemicals, 13 April 2004 and Method 830.7570 of the OCSPP Guidelines, August 1996.
A preliminary assessment of the partition coefficient was calculated using KOWWIN c1.68 and was determined to be log10 Pow 7.79. This result indicated that the HPLC method was suitable for the determination of the partition coefficient of the test material.
During the definitive test, the test item was diluted to 100 mL with tetrahydrofuran giving a final concentration of 1.11 x 10^3 mg/L. The dead time was determined via measuring the retention time of thiourea (purity > 99%, 20 mg/L solution in methanol: water 85:15 v/v). The series of reference standards were prepared in methanol. The sample, dead time and reference standard solutions were injected in duplicate into the HPLC instrument. The standard solutions were used to create a calibration curve. The gradient and intercept of this calibration curve were used to calculate the partition coefficient along with the capacity factor in the following equation: Log10 Pow = [Log10 k'-A]/B.
According to the result of this study, the partition coefficient of the test substance, Terpenes and terpenoids, turpentine oil, aplha-pinene fraction, dimers (greater than 99%), was determined to be greater than 3.16 x 10^6, log10 Pow >6.5.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 6.5
Additional information
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