dinotefuran (ISO); 1-methyl-2-nitro-3-(tetrahydro-3-furylmethyl)guanidine

Partition coefficient

Link to relevant study record(s)

Reference

Reference 1

Endpoint:

partition coefficient

Type of information:

experimental study

Adequacy of study:

key study

Study period:

14/09/1999 - 15/03/2000

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

other: GLP, 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:

EU Method A.8 (Partition Coefficient)

Deviations:

no

Qualifier:

according to guideline

Guideline:

EPA OPPTS 830.7550 (Partition Coefficient, n-octanol / H2O, Shake Flask Method)

Deviations:

no

GLP compliance:

yes

Type of method:

shake-flask method to: flask method

Partition coefficient type:

octanol-water

Analytical method:

high-performance liquid chromatography

Type:

log Pow

Partition coefficient:

-0.549

Temp.:

25 °C

Remarks on result:

other: Pow = 0.283

Details on results:

See tables below

Partition coefficient of data of dinotefuran (<0.01M)

Oct/Water ratio	Volume of Octanol (mL)	Volume of Water (mL)	Total µg dinotefuran present	µg dinotefuran recovered from Octanol	µg dinotefuran recovered from Water	Total µg dinotefuran recovered	Conc. Analysed in Octanol Phase (µg/mL)	Conc. Analysed in Water Phase (µg/mL)	Kow	Log Kow
2:1	20	10	20088	7413	13101	20514	370.64	1310.13	0.283	-0.548
1:1	20	20	20088	4584	15915	20499	229.21	795.73	0.288	-0.541
0.5:1	10	20	10044	1336	8447	9783	133.58	422.35	0.316	-0.500
								Average	0.296	-0.530
								Std Dev	0.02	-0.03
								% RSD	6.1	-4.9

 

Partition coefficient of data of dinotefuran (<0.001M)

Oct/Water ratio	Volume of Octanol (mL)	Volume of Water (mL)	Total µg dinotefuran present	µg dinotefuran recovered from Octanol	µg dinotefuran recovered from Water	Total µg dinotefuran recovered	Conc. Analysed in Octanol Phase (µg/mL)	Conc. Analysed in Water Phase (µg/mL)	Kow	Log Kow
2:1	20	10	2009	740	1283	2023	36.98	128.29	0.288	-0.540
1:1	20	20	2009	440	1582	2022	22.01	79.11	0.278	-0.556
0.5:1	10	20	1004	113	880	994	11.32	44.02	0.257	-0.590
								Average	0.275	-0.562
								Std Dev	0.02	0.03
								% RSD	5.8	-4.5

Conclusions:

The partition coefficient of dinotefuran is: log Pow = - 0.549 at 25°C (i.e. Pow = 0.283)

Reference 2

Endpoint:

partition coefficient

Type of information:

experimental study

Adequacy of study:

key study

Study period:

21/08/1995 - 29/07/1998

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

other: GLP, 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:

EU Method A.8 (Partition Coefficient)

Deviations:

no

Qualifier:

according to guideline

Guideline:

other: EPA/FIFRA Subdivision D § 63-11

Deviations:

no

GLP compliance:

yes

Type of method:

shake-flask method to: flask method

Partition coefficient type:

octanol-water

Analytical method:

high-performance liquid chromatography

Type:

log Pow

Partition coefficient:

-0.915

Temp.:

25 °C

pH:

5

Remarks on result:

other: Pow = 0.122

Key result

Type:

log Pow

Partition coefficient:

-0.644

Temp.:

25 °C

pH:

7

Remarks on result:

other: Pow = 0.227

Type:

log Pow

Partition coefficient:

-0.76

Temp.:

25 °C

pH:

9

Remarks on result:

other: Pow = 0.174

Details on results:

See tables below.

Determination of the partition coefficient of dinotefuran between n-octanol and pH 5.0 buffer solution

Sample	A	B	C	D	E	F	G	H	I	J	K	L
n-octanol volume (mL)	15	15	15	30	30	30	60	60	60	60	60	60
Dinotefuran in n-octanol (µg/mL)	498	508	506	287	289	289	60.9	69.4	138	6.56	11.3	13.0
Total dinotefuran in n-octanol(µg)	7470	7620	7590	8610	8670	8670	3650	4160	8280	394	678	780
pH 5.0 buffer volume (mL)	15	15	15	15	15	15	15	15	15	15	15	15
Dinotefuran in pH 5.0 buffer (µg/mL)	1530	1540	1540	1450	1450	1430	1710	1720	1450	173	146	142
Total dinotefuran in pH 5.0 buffer (µg)	23000	23100	23100	21800	21800	21500	25700	25800	21800	2600	2190	2130
Total dinotefuran added (µg)	30300	30300	30300	30300	30300	30300	30300	30300	30300	3030	3030	3030
Total dinotefuran recovered (µg)	30500	30700	30700	30400	30500	30200	29400	30000	30100	2990	2870	2910
pH of aqueous phase after partition	5.01	5.01	5301	5.01	5.01	5.00	5.00	5.00	5.00	4.99	4.99	4.99
Kow	0.325	0.330	0.329	0.198	0.199	0.202	0.0356	0.0403	0.0952	0.0379	0.0744	0.0915
Log Kow	-0.487	-0.482	-0.483	-0.703	-0.700	-0.694	-1.448	-1.394	-1.021	-1.421	-1.111	-1.038

Mean Log Kow = -0.915 ± 0.373; Equivalent Kow = 0.122 Determination of the partition coefficient of dinotefuran between n-octanol and pH 7.0 buffer solution

Sample	A	B	C	D	E	F	G	H	I	J	K	L
n-octanol volume (mL)	15	15	15	30	30	30	60	60	60	60	60	60
Dinotefuran in n-octanol (µg/mL)	479	476	479	342	428	389	190	202	190	21.5	20.5	22.8
Total dinotefuran in n-octanol(µg)	7190	7140	7190	10300	12800	11700	11400	12100	11400	1290	1230	1370
pH 7.0 buffer volume (mL)	15	15	15	15	15	15	15	15	15	15	15	15
Dinotefuran in pH 7.0 buffer (µg/mL)	1490	1480	1520	1200	1220	1210	1250	1450	1250	125	119	120
Total dinotefuran in pH 7.0 buffer (µg)	22400	222000	22800	18000	18300	18200	18800	21800	18800	1880	1790	1800
Total dinotefuran added (µg)	30300	30300	30300	30300	30300	30300	30300	30300	30300	3030	3030	3030
Total dinotefuran recovered (µg)	29600	29300	30000	28300	31100	29900	30200	33900	30200	3170	3020	3170
pH of aqueous phase after partition	7.05	7.05	7.05	7.05	7.05	7.05	7.05	7.05	7.05	7.04	7.04	7.05
Kow	0.321	0.322	0.315	0.285	0.351	0.321	0.152	0.139	0.152	0.172	0.172	0.190
Log Kow	-0.493	-0.493	-0.502	-0.545	-0.455	-0.493	-0.818	-0.856	-0.818	-0.764	-0.764	-0.721

Mean Log Kow = -0.644 ± 0158; Equivalent Kow = 0.227

Determination of the partition coefficient of dinotefuran between n-octanol and pH 9.0 buffer solution

Sample	A	B	C	D	E	F	G	H	I	J	K	L
n-octanol volume (mL)	15	15	15	30	30	30	60	60	60	60	60	60
Dinotefuran in n-octanol (µg/mL)	515	516	526	307	333	289	109	166	152	15.0	15.0	12.0
Total dinotefuran in n-octanol(µg)	7730	7740	7890	9210	9990	8670	6540	9960	9120	900	900	720
pH 9.0 buffer volume (mL)	15	15	15	15	15	15	15	15	15	15	15	15
Dinotefuran in pH 9.0 buffer (µg/mL)	1450	1510	1530	1380	1320	1330	1260	1260	1490	124	123	139
Total dinotefuran in pH 9.0 buffer (µg)	21800	22700	23000	20700	19800	20000	18900	18900	22400	1860	1850	2090
Total dinotefuran added (µg)	30500	30500	30500	30500	30500	30500	30500	30500	30500	3050	3050	3050
Total dinotefuran recovered (µg)	29500	30400	30900	29900	29800	28700	25400	28900	31500	2760	2750	2810
pH of aqueous phase after partition	9.07	9.07	9.06	9.08	9.07	9.08	9.07	9.08	9.08	9.12	9.12	9.11
Kow	0.355	0.342	0.344	0.222	0.252	0.217	0.0865	0.132	0.102	0.121	0.122	0.0863
Log Kow	-0.450	-0.466	-0.464	-0.653	-0.598	-0.663	-1.063	-0.880	-0.991	-0.917	-0.914	-1.064

Mean Log Kow = -0.760 ± 0.237; Equivalent Kow = 0.174

Conclusions:

Partition coefficient of dinotefuran is as follows:
At pH 5: log Pow = - 0.915 (i.e. Pow = 0.122)
At pH 7: log Pow = - 0.644 (i.e. Pow = 0.227)
At pH 9: log Pow = - 0.760 (i.e. Pow = 0.174)

Key value for chemical safety assessment

Log Kow (Log Pow):

-0.64

at the temperature of:

25 °C