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Partition coefficient

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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 test guidelines
Qualifier:
according to
Guideline:
OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
Principles of method if other than guideline:
To determine octanol water partition coefficient of test chemical by 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:
2.736
Temp.:
25 °C
Remarks on result:
other: test chemical is hydrophilic in nature.

Tables:

Reference substance

 

Log Pow

Rt1

Rt2

Rt3

Mean Rt ± S.D.

k

Log k

Formamide

NA

0.977

0.922

0.922

0.940±0.001

0

0

4-Methoxyphenol

1.3

1.108

1.107

NA

1.1075±0.001

0.1778

-0.7501

Phenol

1.5

1.15

1.149

NA

1.1495±0.001

0.2224

-0.6529

Benzene

2.1

1.771

1.775

NA

1.773±0.003

0.886

-0.0526

Biphenyl

4

2.822

2.841

NA

2.8315±0.013

2.011

0.3034

2-Nitrophenol

1.8

1.366

1.369

NA

1.3675±0.002

0.4543

-0.3427

Nitrobenzene

1.9

1.454

1.458

NA

1.456±0.003

0.5484

-0.2609

Toluene

2.7

2.103

2.104

NA

2.1035±0.001

1.237

0.0924

Ethylbenzene

3.2

2.519

2.527

NA

2.523±0.006

1.6831

0.2261

Naphthalene

3.6

2.388

2.393

NA

2.3905±0.004

1.5422

0.1881

n-Butylbenzene

4.6

4.454

4.463

NA

4.4585±0.006

3.741

0.573

Test substance

K

 

Log k

 

Log Pow by Generalized Calibration Graph

 

Mean of Log Pow ± S.D.

Rt1

1.794

0.909

-0.042

2.735

2.736± 0.001

Rt2

1.794

0.910

-0.041

2.736

Conclusions:
The partition coefficient (n-octanol/water) of test substance [8-[(4-amino-3-nitrophenyl)azo]-7-hydroxy-2-naphthyl]trimethylammonium chloride (CAS No.
68391-32-2) was determined as per the HPLC method (OECD Guideline-117). The Log Pow value was determined to be 2.736± 0.001 dimensionless at 25°C.
Executive summary:

The partition Coefficient n-octanol/water of [8-[(4-amino-3-nitrophenyl)azo]-7-hydroxy-2-naphthyl]trimethylammonium chloride(CAS No.68391-32-2) 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 functionally similarity with the test substance and calibration graph was prepared. The reference substances were 4-Methoxyphenol, Phenol, Benzene, Biphenyl, 2-Nitrophenol, Nitrobenzene, Toluene, Ethylbenzene, Naphthalene, n-Butylbenzene having Pow value ranging from 1.3 to 4.6 The Log Pow value was determined to be 2.736± 0.001.This value indicates that the substance is very hydrophilic in nature.

Description of key information

The partition coefficient (n-octanol/water) of test substance was determined as per the HPLC method (OECD Guideline-117). The Log Pow value was determined to be 2.736± 0.001 dimensionless at 25°C.

Key value for chemical safety assessment

Log Kow (Log Pow):
2.73
at the temperature of:
25 °C

Additional information

The partition Coefficient n-octanol/water of [8-[(4-amino-3-nitrophenyl)azo]-7-hydroxy-2-naphthyl]trimethylammonium chloride(CAS No.68391-32-2) 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 functionally similarity with the test substance and calibration graph was prepared. The reference substances were 4-Methoxyphenol, Phenol, Benzene, Biphenyl, 2-Nitrophenol, Nitrobenzene, Toluene, Ethylbenzene, Naphthalene, n-Butylbenzene having Pow value ranging from 1.3 to 4.6 The Log Pow value was determined to be 2.736± 0.001.This value indicates that the substance is very hydrophilic in nature.