(±)-6,8-Dimethylnon-7-enal

Partition coefficient

Administrative data

Endpoint:

partition coefficient

Type of information:

experimental study

Adequacy of study:

key study

Study period:

Nov 8, 2007 - Dec 13, 2007

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

other: The study was conducted according to an internationally recognised method, and under GLP. No deviation was reported. The substance is adequately characterised. Therefore full validation applies.

Cross-reference

Reason / purpose for cross-reference:

reference to other study

Data source

Reference

Reference Type:

other: Body responsible for the test

Title:

Unnamed

Year:

2007

Report date:

2008

Materials and methods

Test guideline

Qualifier:

according to guideline

Guideline:

EU Method A.8 (Partition Coefficient)

Deviations:

no

GLP compliance:

yes (incl. QA statement)

Remarks:

See Annex 6 of the full report

Type of method:

shake-flask method to: flask method

Partition coefficient type:

octanol-water

Test material

Test material information

Constituent 1

Reference substance name:

NOREENAL

IUPAC Name:

NOREENAL

Test material form:

other: Liquid

Details on test material:

colourless translucent liquid.
The batch number was reported as 862036
It was stored at room temperature protected from direct sun light.

Study design

Analytical method:

gas chromatography

Results and discussion

Partition coefficient

Type:

log Pow

Partition coefficient:

ca. 3.87

Temp.:

20 °C

Remarks on result:

other: Mean Log Pow and observed interval = 3.87 [3.78 – 3.99]. The six LogPow values fell within a range of ± 0.3 units.

Details on results:

40 mL of pre-saturated water and 4 mL of pre-saturated n-octanol were mixed with 0.4 mL of a 10 g/L stock solution. The tubes were continuously rotated for 15 min and then centrifuged for 10 min at 3500 tr/min and 20°C.
The test was reproduced using half and twice, respectively, the above volume ratio.

Mean Log Pow and observed interval = 3.87 [3.78 – 3.99]
The validity criteria were fulfilled: The six LogPow values fell within a range of ± 0.3 units.

Any other information on results incl. tables

n-octanol:water		Ratio 1:10		Ratio 2:10		Ratio 1:20
Replicate tube		1	2	1	2	1	2
Volumes	n-octanol	4.0 mL	4.0 mL	8.0 mL	8.0 mL	2.0 mL	2.0 mL
	Water	40.0 mL	40.0 mL	40.0 mL	40.0 mL	40.0 mL	40.0 mL
	Stock solution	0.4 mL	0.4 mL	0.8 mL	0.8 mL	0.2 mL	0.2 mL
Nominal added amounts mg		3.91	3.91	7.82	7.82	1.96	1.96
Measured	Dilution	200	200	200	200	200	200
concentrations in the	Area	113337	112052	111379	108295	110894	112669
n-octanol phase	mg/L^(1)	895.95	885.31	879.74	854.25	875.73	890.42
Measured	Dilution	0.4	0.4	0.4	0.4	0.4	0.4
concentrations in the	Area	7278	6602	7797	10018	9356	9990
water phase	mg/L^(1)	0.10	0.09	0.11	0.14	0.13	0.14
Measured	In n-octanol	3.942	3.895	7.742	7.517	1.927	1.959
Amounts (mg)	In water	0.004	0.004	0.004	0.006	0.005	0.006
	Total	3.946	3.899	7.746	7.523	1.932	1.965
	% nominal value	100.9	99.7	99.0	96.2	98.8	100.5
Calculated Log Pow		3.95	3.99	3.91	3.78	3.82	3.80

Applicant's summary and conclusion

Conclusions:

Mean Log Pow and observed interval = 3.87 [3.78 – 3.99]

Executive summary:

 

Phytosafe study number	07-42-050-ES
Title	GLP analysis of NOREENAL: octanol/water partition
Test item	NOREENAL Code A45756, batch n°862036
Test dates	Initiation : November 8, 2007 Completion : December 13, 2007

 

Results

Partition coefficient Shake flask method (EEC A8)

n-octanol:watervolume ratio              Log Pow = 3.95 and 3.99 n-octanol:watervolume ratio              Log Pow = 3.91 and 3.78 n-octanol:watervolume ratio              Log Pow = 3.82 and 3.80 Measured partition coefficient and observed interval NOREENAL                                                     Log Pow = 3.87 [3.78-3.99] Validity criteria were fulfilled: The six LogPow values fell within a range of ± 0.3 units.