α,α-bis[4-(dimethylamino)phenyl]-4-(phenylamino)naphthalene-1-methanol

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:

guideline study

Justification for type of information:

Experimental tests performed using standard test guidelines

Qualifier:

according to guideline

Guideline:

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

GLP compliance:

no

Type of method:

HPLC method

Partition coefficient type:

octanol-water

Analytical method:

high-performance liquid chromatography

Key result

Type:

log Pow

Partition coefficient:

7.114

Temp.:

25 °C

Remarks on result:

other: other details are not specified

Table 1:

Reference substances	tR1	tR2	Mean RT±SD	k	log k	log Pow
Formamide	1.481	1.481	1.481±0.000	NA	NA	NA
Benzene	2.952	2.953	2.953±0.001	0.994	-0.003	3.2
Toluene	3.628	3.630	3.629±0.001	1.450	0.161	3.7
Naphthalene	4.142	4.141	4.142±0.001	1.796	0.254	4.1
Ethyl benzene	4.460	4.466	4.463±0.004	2.014	0.304	4.3
Biphenyl	5.002	5.027	5.015±0.018	2.386	0.378	4.5
Butylbenzene	9.049	8.653	8.851±0.280	4.976	0.697	5.6
Triphenylamine	12.091	11.937	12.014±0.109	7.112	0.852	6.2
DDT	15.103	15.036	15.070±0.047	9.175	0.963	6.6

Table 1- The above table indicates, eight reference substances were taken according to structural similarity with the test chemical. Individual reference substances were allowed to pass through the column on fixed operating conditions in order to obtain the values oft_Rand SD. These values are then used to determine K which is then converted to log K value. (applying equation no. 1). This log k was then plotted on the calibration curve to determined log P_owvalue of each.

Table 2:

Test chemical		K	Log K	Log Pow	Mean of Log Pow± S.D
R1	20.798	13.043	1.115	7.113	7.114±0.001

This table represents the mean log P_owand SD of the test chemical. The value was calculated same as above given in table number 1.

Conclusions:

The Log Pow value was determined using Reverse Phase High Performance Liquid Chromatography (RP-HPLC) method according to OECD Guideline No. 117 Adopted: 13 April 2004 and was determined to be 7.114±0.001at 25°C.

Executive summary:

The Partition Coefficient n-octanol/water (Pow) of test chemical was determined by the Reverse Phase High Performance Liquid Chromatography (RP-HPLC) method according to OECD Guideline No. 117 Adopted: 13 April 2004 for testing of chemicals.

The analysis was performed at constant recommended conditions such as temperature 25°C (Acetonitrile: Water) ratio 75:25 at the flow rate of 1 mL/min at 210 nm. Structurally similar reference substances were selected by usingQSAR toolbox (version 3.3). Selectedreference substances were prepared in acetonitrile with a concentration of 400 mg/L and test chemical was prepared in Tetrahydrofuran and Acetonitrile (1:1 ratio). Both were analyzed on HPLC considering the similar conditions.

After analyzing on above conditions calibration curve of selected reference substances was prepared to obtain log P_owvalue.

The reference substances wereBenzene, Toluene, Naphthalene, Ethyl benzene, Biphenyl, Butylbenzene, Triphenylamine and DDThaving P_owvalue ranging from3.2to6.6.

TheLog P_owvalue was determined to be 7.114±0.001at 25°C. This concludes that the test chemical is hydrophobic in nature .

 

Description of key information

The Log Pow value was determined using Reverse Phase High Performance Liquid Chromatography (RP-HPLC) method according to OECD Guideline No. 117 Adopted: 13 April 2004  and was determined to be 7.114±0.001at 25°C.

Key value for chemical safety assessment

Log Kow (Log Pow):

7.114

at the temperature of:

25 °C

Additional information

The Partition Coefficient n-octanol/water (Pow) of test chemicalwas determined by the Reverse Phase High Performance Liquid Chromatography (RP-HPLC) method according to OECD Guideline No. 117 Adopted: 13 April 2004 for testing of chemicals.

The analysis was performed at constant recommended conditions such as temperature 25°C (Acetonitrile: Water) ratio 75:25 at the flow rate of 1 mL/min at 210 nm. Structurally similar reference substances were selected by usingQSAR toolbox (version 3.3). Selectedreference substances were prepared in acetonitrile with a concentration of 400 mg/L and test chemical was prepared in Tetrahydrofuran and Acetonitrile (1:1 ratio). Both were analyzed on HPLC considering the similar conditions.

After analyzing on above conditions calibration curve of selected reference substances was prepared to obtain log P_owvalue.

The reference substances wereBenzene, Toluene, Naphthalene, Ethyl benzene, Biphenyl, Butylbenzene, Triphenylamine and DDThaving P_owvalue ranging from3.2to6.6.

TheLog P_owvalue was determined to be7.114±0.001at 25°C.This concludes that the test chemical is hydrophobic in nature .