Decahydro-2-naphthyl acetate

Partition coefficient

Link to relevant study record(s)

Reference

Endpoint:

partition coefficient

Type of information:

experimental study

Adequacy of study:

key study

Study period:

20 September 2016 - 21 September 2016

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Qualifier:

according to guideline

Guideline:

OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)

Version / remarks:

2004

Qualifier:

according to guideline

Guideline:

EU Method A.8 (Partition Coefficient - HPLC Method)

Version / remarks:

2008

GLP compliance:

yes (incl. QA statement)

Type of method:

HPLC method

Partition coefficient type:

octanol-water

Analytical method:

high-performance liquid chromatography

Key result

Type:

log Pow

Partition coefficient:

4.45

Temp.:

22.7 °C

pH:

ca. 7

Remarks on result:

other: No pH value was measured for this mobile phase, because it is neutral. The test item does not have functional groups with influence on the pH value of the mobile phase.

Details on results:

The column temperature range was 22.4 to 22.9°C (must be ± 1°C), The signal-to-noise ratio for the void time marker, reference items and the test item was > 3. The correlation coefficient r was 0.9955 for the first calibration and was 0.9953 for the second calibration (must be > 0.9). The value of log Pow derived from repeated measurements made under identical conditions and using the same set of reference items fell within a range of ± 0.1 log units. Therefore, all validity criteria were met.

Table 1. Calibration data of the reference items

Reference item	log Pow	1st calibration			2nd calibration
		tr1 (min )	k	log k	tr2 (min)	k	log k
Anisole	2.1	2.498	4.09	0.612	2.508	4.11	0.614
Allyl phenyl ether	2.9	3.752	6.64	0.822	3.769	6.68	0.825
Ethylbenzene	3.2	5.278	9.75	0.989	5.299	9.79	0.991
Isopropylbenzene	3.7	7.071	13.4	1.13	7.104	13.5	1.13
n-Butylbenzene	4.6	12.127	23.7	1.37	12.175	23.8	1.38
Fluoranthene	5.1	14.667	28.9	1.46	14.710	29.0	1.46
Triphenylamine	5.7	21.954	43.7	1.64	22.067	43.9	1.64

tr1 = retention time, 1st injection

tr2 = retention time, 2nd injection

k = capacity factor

Table 2. Retention times, capacity factors and partition coefficients for the test item

Signal	1	2
Area	70.8	29.2
Replicate 1
tr (min)	9.940	11.204
k	19.2	21.8
log k	1.28	1.34
Replicate 2
tr (min)	9.943	11.206
k	19.3	21.8
log k	1.29	1.34
Mean
tr (min)	9.942	11.205
k	19.3	21.8
log k	1.29	1.34
log Pow (95% CI)
1st calibration	4.40 ± 0.05 (4.26 - 4.54)	4.58 ± 0.06 (4.43 - 4.73)
2nd calibration	4.39 ± 0.06 (4.25 - 4.54)	4.57 ± 0.06 (4.42 - 4.72)
Mean	4.40	4.57
Weighted average log Pow	4.45

tr = retention time

k = capacity factor

CI = confidence interval

Conclusions:

The weighted average log Pow of the test item was determined to be 4.45 using the HPLC method.

Executive summary:

The weighted average log Pow of the test item was determined to be 4.45 using the HPLC method. The study is considered reliable without restriction (Klimisch 1) as it was performed according to guidelines OECD 117 and EU A.8, and was GLP-compliant.

Description of key information

The weighted average log Pow of the test item was determined to be 4.45 using the HPLC method.

Key value for chemical safety assessment

Log Kow (Log Pow):

4.45

at the temperature of:

22.7 °C

Additional information

The study is considered reliable without restriction (Klimisch 1) as it was performed according to guidelines OECD 117 and EU A.8, and was GLP-compliant (2017). The weighted average log Pow of the test item was determined using the HPLC method.