2-Buten-1-ol, 2-methyl-4-(2,2,3-trimethyl-3-cyclopenten-1-yl)-, (2E)-

Partition coefficient

Link to relevant study record(s)

Reference

Endpoint:

partition coefficient

Type of information:

experimental study

Adequacy of study:

key study

Study period:

from 5th April 2016 to 9th September 2016

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study without detailed documentation

Qualifier:

according to guideline

Guideline:

OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)

Deviations:

no

GLP compliance:

yes (incl. QA statement)

Type of method:

flask method

Partition coefficient type:

octanol-water

Analytical method:

high-performance liquid chromatography

Key result

Type:

log Pow

Partition coefficient:

4.082

Temp.:

25 °C

pH:

>= 6.5 - <= 6.63

 Results and Validity

Overview of Determinations

The P_OWfor each determination, the mean, standard deviation and relative standard deviation of the six determinations are presented in the following table.

Table10.1–a    P_OW

Step	POW	Mean POW Step	Mean POW ±Standard Deviation	Relative Standard Deviation
1a	4509*	11372	12189 ± 1676	15.4 %
1b	11372
2a	10105	10620
2b	11135
3a	14398	14165
3b	13933

* Replicate 1a was considered as outlier, carryover of octanol phase was suspected.

 

The log P_OWfor each determination, the mean, standard deviation and relative standard deviation of the six determinations at the three pHs is presented in the following table.

Table10.1–b    log P_OW

Step	log POW	Mean log POW ±Standard Deviation	Range	Relative Standard Deviation
1a	3.654*	4.082 ± 0.059	4.005 – 4.158 0.154	1.6 %
1b	4.056
2a	4.005
2b	4.047
3a	4.158
3b	4.144

* Replicate 1a was considered as outlier, carryover of octanol phase was suspected.

 

log P_OW

The log P_OWof the test itemSandalmysore Corewas calculated as (log P_OW± standard deviation):

 4.082 ± 0.059

Validity

The six log P_OWs should lie in a range of ± 0.3 units.

The range was smaller than 0.2 log P_OWunits.

Conclusions:

SUMMARY
Title of Study: Determination of the log POW of Sandalmysore Core ac-cording to OECD 107 resp. EU A.8

Findings and Results:

The study was performed using the flask method. Partition coefficient was determined using n-octanol and water.
Three volume ratios of n-octanol:water (2:10, 4:10 and 1:10) were tested in duplicate.
The separated phases were analysed using HPLC as described in chapter 6.4.
The measurements of the phases gave the following log POW of the test item at the respective ratio:
Table 3-a Results
Ratio octanol:water Mean log POW Standard Deviation
2:10 4.056 Not applicable*
4:10 4.026 0.021
1:10 4.151 0.007
* One replicate was lost during workup

The log POW of the test item was determined as 4.082 ± 0.059 (mean value ± standard deviation)

Executive summary:

The study was performed using the flask method. Partition coefficient was determined using n-octanol and water.

Three volume ratios of n-octanol:water (2:10, 4:10 and 1:10) were tested in duplicate. The separated phases were analysed using HPLC.

The measurements of the phases gave the following log POW of the test item at the respective ratio:

Ratio octanol:water	Mean log POW	Standard Deviation
2:10	4.056	Not applicable*
4:10	4.026	0.021
1:10	4.151	0.007

* One replicate was lost during workup

The log POW of the test item was determined as 4.082 ± 0.059 (mean value ± standard deviation)

Description of key information

The study was performed using the flask method. Partition coefficient was determined using n-octanol and water.

Three volume ratios of n-octanol:water (2:10, 4:10 and 1:10) were tested in duplicate. The separated phases were analysed using HPLC.

The measurements of the phases gave the following log POW of the test item at the respective ratio:

Ratio octanol:water	Mean log POW	Standard Deviation
2:10	4.056	Not applicable*
4:10	4.026	0.021
1:10	4.151	0.007

* One replicate was lost during workup

The log POW of the test item was determined as 4.082 ± 0.059 (mean value ± standard deviation)

Key value for chemical safety assessment

Log Kow (Log Pow):

4.082

at the temperature of:

25 °C