Undec-10-enal

Partition coefficient

Link to relevant study record(s)

Reference

Endpoint:

partition coefficient

Type of information:

experimental study

Adequacy of study:

key study

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

other: Experimental test result performed using standard OECD test guidelines

Qualifier:

according to guideline

Guideline:

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

Principles of method if other than guideline:

Reverse Phase High Performance Liquid Chromatography on Octadecyl-modified silica based stationary phase is used.
Partitioning on the column occurs in order of hydrophobicity when a suitable mobile phase is used. From relationship between the measured retention times and the known octanol/water partition coefficient of reference substances, the partition coefficient of the test substance is calculated.

GLP compliance:

no

Type of method:

HPLC method

Partition coefficient type:

octanol-water

Analytical method:

high-performance liquid chromatography

Type:

log Pow

Partition coefficient:

4.672

Temp.:

25

Remarks on result:

other: pH not available

TheLog Pow of was found to be4.672 ± 0.008at 25°C.

Reference substance	Log Pow	tR1	tR2	tR3	MeantR± S.D.	k	Log k
Formamide	-	0.897	0.899	0.9	0.898±0.001	-	-
2,3 Dichloroaniline	2.8	1.823	1.826	-	1.824± 0.002	1.031	0.013
Benzophenone	3.2	2.448	2.393	-	2.420 ±0.038	1.695	0.229
1, 4 Dichlorobenzene	3.4	3.447	3.497	-	3.472 ± 0.035	2.866	0.457
Naphthalene	3.6	3.263	3.278	-	3.270 ± 0.010	2.641	0.421
Benzyl benzoate	4.0	4.047	4.014	-	4.030 ± 0.023	3.488	0.542
1 ,2 ,4 Trichlorobenzene	4.2	5.617	5.609	-	5.613 ± 0.005	5.250	0.720
N butylbenzene	4.6	7.963	7.966	-	7.964 ± 0.002	7.869	0.895
2 ,6 Diphenylpyridine	4.9	6.987	7.005	-	6.996 ± 0.012	6.790	0.831

Test substance		k	Log k	Log Pow by Generalized Calibration Graph	Mean of Log Pow± S.D.
tR1	7.644	7.512	0.875	4.666	4.672 ± 0.008
tR2	7.722	7.599	0.880	4.678

Conclusions:

The partition coefficient of test substance was determined as per the HPLC method (OECD Guideline-117). The Log Pow value was determined to be 4.672 ± 0.008 at 25°C.

Executive summary:

The partition Coefficient n-octanol/water of test chemicalwas determined by the Reverse Phase High Performance Liquid Chromatographic method according to OECD Guideline No. 117 for Testing of Chemicals. The reference substances were chosen according to estimated Pow range of the test substance and generalized calibration graph was prepared. The reference substances were 2, 3 Dichloroaniline,Benzophenone,1, 4 Dichlorobenzene, Naphthalene, Benzyl benzoate, 1, 2, 4 Trichlorobenzene, N butylbenzene, 2, 6 Diphenylpyridine having Pow value ranging from 2.8 to 4.9. TheLog Pow value was determined to be 4.672 ± 0.008 at 25°C.

Description of key information

The partition coefficient of test substance  was determined as per the HPLC method (OECD Guideline-117). The Log Pow value was determined  to be 4.672 ± 0.008 at 25°C.

Key value for chemical safety assessment

Log Kow (Log Pow):

4.672

at the temperature of:

25 °C

Additional information

Following studies have been conducted to determine partition coefficient of test chemical .

In first study the partition Coefficient n-octanol/water of test chemicalwas determined by the Reverse Phase High Performance Liquid Chromatographic method according to OECD Guideline No. 117 for Testing of Chemicals. The reference substances were chosen according to estimated Pow range of the test substance and generalized calibration graph was prepared. The reference substances were 2, 3 Dichloroaniline,Benzophenone,1, 4 Dichlorobenzene, Naphthalene, Benzyl benzoate, 1, 2, 4 Trichlorobenzene, N butylbenzene, 2, 6 Diphenylpyridine having Pow value ranging from 2.8 to 4.9. TheLog Pow value was determined to be 4.672 ± 0.008 at 25°C.

Next study was estimated study done by using EPI suite in this The octanol-water partition co-efficient (Log Pow) of test chemical was estimated to be 4.1176 at 25°C.

In another study the octanol-water partition co-efficient (Log Pow) of test chemical is estimated to be 4.12.

By considering all the studies mentioned above it is concluded that Log pow of test chemical is in range of 4.1176- 4.672 dimensionless.This range value indicates that the substance is hydrophobic in nature.