Registration Dossier

Physical & Chemical properties

Partition coefficient

Currently viewing:

Administrative data

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 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:
1.45
Temp.:
25 °C
Remarks on result:
other: test chemical is hydrohilic nature

Reference substance

Log Pow

Rt1

Rt2

Rt3

Mean Rt ± S.D.

k

 

Log k

Formamide

NA

0.977

0.922

0.922

0.94±0.032

0

0

Butanone

0.3

1.502

1.5

NA

1.501±0.001

0.5968

-0.2242

4-Acetylpyridine

0.5

1.076

1.077

NA

1.0765±0.001

0.1448

-0.8391

Acetanilide

1

1.081

1.082

NA

1.0815±0.001

0.1501

-0.8236

Benzylalcohol

1.1

1.129

1.127

NA

1.128±0.001

0.1996

-0.6998

4-Methoxyphenol

1.3

1.108

1.107

NA

1.1075±0.001

0.1778

-0.7501

Phenoxyaceticacid

1.4

0.884

0.883

NA

0.8835±0.001

-0.0604

-1.2187

Phenol

1.5

1.15

1.149

NA

1.1495±0.001

0.2224

-0.6529

4-Methylbenzyl alcohol

1.6

1.103

1.101

NA

1.102±0.001

0.1719

-0.7647

Acetophenone

1.7

1.354

1.353

NA

1.3535±0.001

0.4394

-0.3571

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

Cinnamylalcohol

1.9

1.219

1.221

NA

1.22±0.001

0.2974

-0.5267

Benzene

2.1

1.771

1.775

NA

1.773±0.003

0.886

-0.0526

Methylbenzoate

2.1

1.552

1.553

NA

1.5525±0.001

0.651

-0.1864

CinnamicAcid

2.1

1.018

1.015

NA

1.0165±0.002

0.081

-1.0915

Toluene

2.7

2.103

2.104

NA

2.1035±0.001

1.237

0.0924

2,6-Dichlorobenzonitrile

2.6

1.709

1.705

NA

1.707±0.003

0.8153

-0.0887

Chlorobenzene

2.8

2.024

2.03

NA

2.027±0.004

1.155

0.0626

2,3-Dichloroaniline

2.8

1.619

1.629

NA

1.624±0.007

0.7271

-0.1384

Allylphenylether

2.9

1.982

1.987

NA

1.9845±0.004

1.1104

0.0455

Bromobenzene

3

2.144

2.151

NA

2.1475±0.005

1.2838

0.1085

Benzophenone

3.2

1.974

1.979

NA

1.9765±0.004

1.1019

0.0421

Ethylbenzene

3.2

2.519

2.527

NA

2.523±0.006

1.6831

0.2261

1,4-Dichlorobenzene

3.4

2.57

2.572

NA

2.571±0.001

1.734

0.239

Diphenylamine

3.4

2.113

2.112

NA

2.1125±0.001

1.2466

0.0957

Naphthalene

3.6

2.388

2.393

NA

2.3905±0.004

1.5422

0.1881

Biphenyl

4

2.822

2.841

NA

2.8315±0.013

2.011

0.3034

BenzylBenzoate

4

2.465

2.471

NA

2.468±0.004

1.6246

0.2107

1,2,4-Trichlorobenzene

4.2

3.502

3.492

NA

3.497±0.007

2.719

0.4344

Dodecanoicacid

4.2

3.001

2.845

NA

2.923±0.110

2.1085

0.324

Diphenylether

4.2

2.706

2.728

NA

2.717±0.016

1.889

0.2762

n-Butylbenzene

4.6

4.454

4.463

NA

4.4585±0.006

3.741

0.573

DDT

6.5

8.425

8.427

NA

8.426±0.001

7.96

0.9009

 

 

 

 

Test substance

K

Log k

Log Pow

by Generalized Calibration Graph

 

Mean of Log Pow ± S.D.

 

Rt1

1.142

0.214

-0.669

1.450

 

1.450 ± 0.000

 

Rt2

1.142

0.214

-0.669

1.450

 

 

Conclusions:
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 1.450 dimensionless at 25°C.This value indicates that the substance is hydrophilic in nature.
Executive summary:

The partition Coefficient n-octanol/water of test chemical 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 estimated Pow range of the test substance and generalized calibration graph was prepared.

The reference substances were Butanone, 4-Acetylpyridine, Acetanilide, Benzyl alcohol, 4-Methoxyphenol, Phenoxyacetic acid, Phenol, 4-Methylbenzyl alcohol, Acetophenone, 2-Nitrophenol, Nitrobenzene, Cinnamyl alcohol, Benzene, Methyl benzoate, Cinnamic Acid, Toluene, 2,6-Dichlorobenzonitrile, Chlorobenzene, 2,3-Dichloroaniline, Allyl phenyl ether, Bromobenzene, Benzophenone, Ethylbenzene, 1,4-Dichlorobenzene, Diphenylamine, Naphthalene, Biphenyl, Benzyl Benzoate, 1,2,4-Trichlorobenzene, Dodecanoic acid,Diphenyl ether, n-Butylbenzene, DDT, having Pow value ranging from 0.3 to 6.5

.The Log Pow value was determined to be 1.450 dimensionless at 25°C

This value indicates that the substance is 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 1.450 dimensionless at 25°C.This value indicates that the substance is hydrophilic in nature.

Key value for chemical safety assessment

Log Kow (Log Pow):
1.45
at the temperature of:
25 °C

Additional information

The partition Coefficient n-octanol/water of test chemical 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 estimated Pow range of the test substance and generalized calibration graph was prepared.

The reference substances wereButanone, 4-Acetylpyridine, Acetanilide, Benzyl alcohol, 4-Methoxyphenol, Phenoxyacetic acid, Phenol, 4-Methylbenzyl alcohol, Acetophenone, 2-Nitrophenol, Nitrobenzene, Cinnamyl alcohol, Benzene, Methyl benzoate, Cinnamic Acid, Toluene, 2,6-Dichlorobenzonitrile, Chlorobenzene, 2,3-Dichloroaniline, Allyl phenyl ether, Bromobenzene, Benzophenone, Ethylbenzene, 1,4-Dichlorobenzene, Diphenylamine, Naphthalene, Biphenyl, Benzyl Benzoate, 1,2,4-Trichlorobenzene, Dodecanoic acid,Diphenyl ether, n-Butylbenzene, DDT, having Pow value ranging from 0.3 to 6.5

.The Log Pow value was determined to be1.450dimensionless at 25°C

This value indicates that the substance is hydrophilic in nature.