Disodium 4,4'-[[2,4-dihydroxy-5-(hydroxymethyl)-1,3-phenylene]bis(azo)]bisnaphthalene-1-sulphonate

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 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

Specific details on test material used for the study:

SOURCE OF TEST MATERIAL
- Source and lot/batch No.of test material: FG/14-15/1097
- Expiration date of the lot/batch: December, 2023
- Purity test date: -


STABILITY AND STORAGE CONDITIONS OF TEST MATERIAL
- Storage condition of test material: 1. Ambient Temp (23 to 27 °C) √
2. In Refrigerator (4 °C)
3. In Freezer (-10 To 0 °C)

- Stability under test conditions: Stable in recommended storage conditions
- Solubility and stability of the test substance in the solvent/vehicle: No data
- Reactivity of the test substance with the solvent/vehicle of the cell culture medium: No data

Analytical method:

high-performance liquid chromatography

Key result

Type:

log Pow

Partition coefficient:

4.496

Temp.:

25 °C

pH:

6.54

Remarks on result:

other: Reported as 4.496± 0.011

Reference substance	Log Pow	tR1	tR2	tR3	MeantR± S.D.	k	Log k
Formamide	-	0.897	0.899	0.9	0.898±0.001	-	-
4 Acetyl pyridine	0.5	1.129	1.13	-	1.129±0.0007	0.257	-0.588
phenol	1.5	1.279	1.278	-	1.278±0.0007	0.423	-0.372
benzene	2.1	1.501	1.504	-	1.502±0.002	0.673	-0.171
Toluene	2.7	2.685	2.69	-	2.687±0.003	1.992	0.299
Naphthalene	3.6	3.263	3.278	-	3.270±0.010	2.641	0.421
Biphenyl	4	4.714	4.743	-	4.728±0.020	4.265	0.629
n butyl benzene	4.6	7.963	7.966	-	7.964±0.002	7.869	0.895

Test substance 2,4,6-trichloroaniline		K	Log k	Log Pow by Calibration Graph	Mean of LogPow± S.D.
tR1	0.766	-0.146	0.835	4.488	4.496± 0.011
tR2	0.768	-0.144	0.841	4.504

Conclusions:

The partition coefficient of test substance disodium 4,4’-[[2,4-dihydroxy-5-(hydroxymethyl)-1,3-phenylene]bis(azo)]bisnaphthalene-1-sulphonate(CAS No.4553-89-3)was determined as per the HPLC method (OECD Guideline-117). The Log Pow value was determined to be 4.496± 0.011 at 25°C.

Executive summary:

The partition Coefficient n-octanol/water ofdisodium 4,4’-[[2,4-dihydroxy-5-(hydroxymethyl)-1,3-phenylene]bis(azo)]bisnaphthalene-1-sulphonate(CAS No. 4553-89-3) 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. The reference substances were4 Acetyl pyridine, phenol, benzene, Toluene, Naphthalene, Biphenyl, N butyl benzene having Pow value ranging from 0.5 to 4.6. TheLog Pow value was determined to be 4.496± 0.011at 25°C.

Description of key information

The partition coefficient of test substance disodium 4,4’-[[2,4-dihydroxy-5-(hydroxymethyl)-1,3-phenylene]bis(azo)]bisnaphthalene-1-sulphonate(CAS No.4553-89-3)was determined as per the HPLC method (OECD Guideline-117). The Log Pow value was determined to be 4.496± 0.011 at 25°C.

Key value for chemical safety assessment

Log Kow (Log Pow):

4.496

at the temperature of:

25 °C

Additional information

The partition Coefficient n-octanol/water ofdisodium 4,4’-[[2,4-dihydroxy-5-(hydroxymethyl)-1,3-phenylene]bis(azo)]bisnaphthalene-1-sulphonate(CAS No. 4553-89-3) 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. The reference substances were4 Acetyl pyridine, phenol, benzene, Toluene, Naphthalene, Biphenyl, N butyl benzene having Pow value ranging from 0.5 to 4.6. The Log Pow value was determined to be 4.496± 0.011at 25°C.

Other supporting data also indicates the Log Pow value for the test substance Disodium 4,4’-(2,4-dihydroxy-5- hydroxymethyl-1,3-phenylene bis-azo) di- (naphthalene-1-sulfonate) as 4.18 which is close to selected key value.