1,3,3-trimethylnorbornan-2-one

Partition coefficient

Link to relevant study record(s)

Reference

Endpoint:

partition coefficient

Type of information:

experimental study

Adequacy of study:

key study

Study period:

28 February 2018 - 13 March 2018

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Qualifier:

according to guideline

Guideline:

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

Deviations:

no

Qualifier:

according to guideline

Guideline:

EPA OPPTS 830.7550 (Partition Coefficient, n-octanol / H2O, 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:

2.54

Temp.:

20 °C

pH:

6

Details on results:

The partition coefficient 1-octanol/water (log Kow) at 20.0°C of test item was found to be 2.54± 0.02 (pH 6).

Table 1: Test results

n-Octanol Double Distilled water Ratio	Repli-cation	Volume of (mL)		3,3-Dimethyl-8,9-Dinorbornan-2-One Concentration (mg/mL)		Amount (mg) of 3,3-Dimethyl-8,9-Dinorbornan-2-One Technical in			Pow	Mean	log Pow	Mean
		n-Octanol	Double Distilled water	n-Octanol	Double Distilled water	n-Octanol	Double Distilled water	Total
1:1	R1	25	25	822.60	2.62	20565.00	65.50	20631	313.97	338.12	2.50	2.53
1:1	R2	25	25	840.07	2.32	21001.75	57.98	21060	362.26		2.56
1:2	R1	25	50	866.65	2.55	21666.25	127.50	21794	339.86	343.11	2.53	2.54
1:2	R2	25	50	865.19	2.50	21629.75	124.90	21755	346.35		2.54
2:1	R1	50	25	448.51	1.29	22425.50	32.23	22458	347.95	354.48	2.54	2.55
2:1	R2	50	25	458.84	1.27	22942.00	31.78	22974	361.01		2.56
Over all mean±s.d									345.23 ± 17.63	345.24 ± 8.38	2.54 ± 0.02

Table 2. Results of Method Validation - Accuracy, Precision and Specificity

Solution	Fortification Level (mg/mL) (Nominal)	Repli-cation	Weight of Test Item (g)	Fortified Conc. (mg/mL) A	Peak area	Analysed conc. (mg/mL) B	% Recovery (B/A x 100)	Accuracy Mean ± s.d	Precision (as % rsd)		Specificity
									Observed	Limit
n-Octanol saturated with Double distilled water	1	Standard	-	-	138.437	-	-	99.83 ± 1.10	1.10	10.72	Specific to 3,3-Dimethyl-8,9-Dinorbornan-2-One Technical
		R1	0.00265	1.058	14.161	1.051	99.34
		R2	0.00266	1.062	14.180	1.052	96.06
		R3	0.00298	1.190	16.208	1.203	101.09
		Standard	-	-	132.948	-	-
	1000	Standard	-	-	139.233	-	-	97.28 ± 0.61	0.63	3.79
		R1	0.0100	997.900	133.054	975.984	97.80
		R2	0.0103	1027.837	135.383	993.068	96.62
		R3	0.0098	977.942	129.888	952.761	97.43
		Standard	-	-	135.357	-	-
Double distilled water saturated with n-Octanol	1	Standard	-	-	132.070	-	-	95.81 ± 0.27	0.28	10.72
		R1	0.00589	1.176	29.794	1.126	95.81
		R2	0.00590	1.178	29.789	1.126	95.64
		R3	0.00569	1.136	28.620	1.082	95.28
		Standard	-	-	136.438	-	-
	50	Standard	-	-	135.357	-	-	86.76 ± 0.30	0.35	5.95
		R1	0.00498	49.695	115.959	43.225	86.98
		R2	0.00465	46.402	108.151	43.314	86.88
		R3	0.00500	49.895	115.679	43.120	86.42
		Standard	-	-	134.816	-	-

Conclusions:

The experimentally obtained value of log Kow of the test item at 20.0 °C is 2.54.

Executive summary:

The partition coefficient 1-octanol/water (log Kow) of the test item was investigated according to OECD Guideline107, using the Shake Flask Method. The content of the substance in l-octanol and water was examined by a validated HPLC analytical method. The partition coefficient 1-octanol/water (log Kow) at 20.0°C of the test item was found to be 2.54 ± 0.02 (pH 6).

Description of key information

Key study. Test method according to OECD 107 (shake flask method), GLP study. The partition coefficient 1-octanol/water (log Kow) at 20.0°C of the test item is 2.54.

Key value for chemical safety assessment

Log Kow (Log Pow):

2.54

at the temperature of:

20 °C

Additional information

Key study. The partition coefficient 1-octanol/water (log Kow) of the test item was investigated according to OECD Guideline107, using the Shake Flask Method. The content of the substance in l-octanol and water was examined by a validated HPLC analytical method. The partition coefficient 1-octanol/water (log Kow) at 20.0°C of the test item was found to be 2.54 ± 0.02 (pH 6).