2-butyl-6-(butylamino)-1H-benz[de]isoquinoline-1,3(2H)-dione

Partition coefficient

Link to relevant study record(s)

Reference

Endpoint:

partition coefficient

Type of information:

experimental study

Adequacy of study:

key study

Study period:

07/06/2016 - 07/06/2016

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Justification for type of information:

Experimental test result performed using standard test guidelines

Qualifier:

according to guideline

Guideline:

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

Principles of method if other than guideline:

The partition Coefficient n-octanol/water of 2-butyl-6-(butylamino)-1H-benz[de]isoquinoline-1,3(2H)-dione (CAS No. 19125-99-6) was determined by the Reverse Phase High Performance Liquid Chromatographic method according to OECD Guideline No. 117 for testing of Chemicals.

GLP compliance:

not specified

Type of method:

HPLC method

Partition coefficient type:

octanol-water

Analytical method:

high-performance liquid chromatography

Key result

Type:

log Pow

Partition coefficient:

4.643

Temp.:

25 °C

Remarks on result:

other: pH details not known

Calibration Graph of reference substances for CAS NO. 19125-99-6

 

Reference substance	Log Pow	Log k
benzene	2.1	-0.052
toluene	2.7	0.092
ethylbenzene	3.2	0.226
naphthalene	3.6	0.188
biphenyl	4	0.303
n- butylbenzene	4.6	0.572

Conclusions:

The partition coefficient of test substance 2-butyl-6-(butylamino)-1H-benz[de]isoquinoline-1,3(2H)-dione (CAS No.19125-99-6)was determined as per the HPLC method (OECD Guideline-117). The Log Pow value was found to be 4.643 ± 0.002 at 25°C.

Executive summary:

The partition Coefficient n-octanol/water of 2-butyl-6-(butylamino)-1H-benz[de]isoquinoline-1,3(2H)-dione (CAS No. 19125-99-6) was 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 structural similarity with the test substance and calibration graph was prepared. The reference substances were Benzene, Toluene, Ethylbenzene, Naphthalene, Biphenyl, and n- butylbenzene having Pow value ranging from 2.1 to 4.6.TheLog Powvalue was found to be 4.643 ± 0.002 at 25°C.

Description of key information

The partition coefficient of test substance 2-butyl-6-(butylamino)-1H-benz[de]isoquinoline-1,3(2H)-dione (CAS No.19125-99-6)was determined as per the HPLC method (OECD Guideline-117). The Log Pow value was found to be 4.643 ± 0.002 at 25°C.

Key value for chemical safety assessment

Log Kow (Log Pow):

4.643

at the temperature of:

25 °C

Additional information

Prediction model based estimation and data from study report are used to determine the partition coefficient for the test chemical CAS no 19125 -99 -6. The summary is as below:

The partition Coefficient n-octanol/water of2-butyl-6-(butylamino)-1H-benz[de]isoquinoline-1,3(2H)-dione (CAS No. 19125-99-6)was determined by the Reverse Phase High Performance Liquid Chromatographic method according to OECD Guideline No. 117 for testing of Chemicals (Sustainiability support services, 2016). The reference substances were chosen according to structural similarity with the test substance and calibration graph was prepared. The reference substances were Benzene, Toluene, Ethylbenzene, Naphthalene, Biphenyl, and n- butylbenzene having Pow value ranging from 2.1 to 4.6.The Log Pow value was found to be 4.643 ± 0.002 at 25°C.

The partition coefficient (Log Kow/Pow) of the test compound 4-Butylamino-N-butyl-1,8-naphthalimide as predicted by EPI suite is estimated to be 4.7807.

Both the values indicate the substance to be hydrophobic in nature which is in turn supported by its water solubility.