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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:
Data is from experimental report
Qualifier:
according to
Guideline:
OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
Principles of method if other than guideline:
The partition coefficient of Nonylphenol ethoxylates (CAS No.127087-87-0) 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
Specific details on test material used for the study:
- Name of test material (as cited in study report): Nonylphenol ethoxylates
- Molecular formula : C17H28O2
- Molecular weight : 264.409 g/mol
- Substance type: Organic
- Physical state: Liquid
SMILES:CCCC(C)CC(C)Cc1ccc(OCCOCCOCCOCCOCCO)cc1
Analytical method:
high-performance liquid chromatography
Key result
Type:
log Pow
Partition coefficient:
5.669
Temp.:
25 °C
pH:
7.5
Remarks on result:
other: no additional details mentioned

Reference Substance

LogPow

Tr1

Tr2

Tr3

MeantR ± S.D

K

Log k

Formamide

-

0.897

0.899

0.9

0.898667

-

-

4-Methoxyphenol

1.3

1.219

1.222

-

1.2205±0.00021

0.3591

0.44478459487393

Phenol

1.5

1.279

1.278

-

1.2785±0.0007

0.4237

0.37294153599901

Benzene

2.1

1.501

1.504

-

1.5025±0.0021

0.6731

0.17192040944325

2,6-Diphenylpyridine

4.9

6.987

7.005

-

6.006±0.01273

6.79

0.8318697742805

Toluene

2.7

2.685

2.69

-

2.6875±0.0035

1.9927

0.29944192080209

Ethylbenzene

3.2

3.61

3.599

-

3.6045±0.0077

3.01

0.47856649559384

n-butylbenzene

4.6

7.963

7.966

-

1.5595±0.0021

7.8691

0.89592506433051

Diphenyl ether

4.2

4.366

4.378

-

4.372±0.00848

3.8685

0.58754260119362

               

Test substance

K

Log k

Log POW by generalized calibration graph

Mean of logPOW ± S.D

Tr1

17.88

18.89614243

1.276373154

5.664926259

5.669±0.006

Tr2

18.016

19.04747774

1.279837475

5.673822635

Conclusions:
The octanol-water partition coefficient (Log Pow) value for Nonylphenol ethoxylates (CAS No.127087-87-0) was determined to be 5.669± 0.006 at 25°C.
Executive summary:

The partition coefficient of  Nonylphenol ethoxylates (CAS No.127087-87-0) 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 4-methoxyphenol, phenol, benzene, 2,6-diphenylpyridine, toluene, ethylbenzene, n-butylbenzene and diphenylether having Pow value ranging from 1.3 to 4.9.

The Log Pow value for Nonylphenol ethoxylates (CAS No.127087-87-0) was determined to be 5.669± 0.006 at 25°C.

Description of key information

The partition coefficient of  Nonylphenol ethoxylates (CAS No.127087-87-0) 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 4-methoxyphenol, phenol, benzene, 2,6-diphenylpyridine, toluene, ethylbenzene, n-butylbenzene and diphenylether having Pow value ranging from 1.3 to 4.9.

The Log Pow value for Nonylphenol ethoxylates (CAS No.127087-87-0) was determined to be 5.669± 0.006 at 25°C.

Key value for chemical safety assessment

Log Kow (Log Pow):
5.669
at the temperature of:
25 °C

Additional information

The partition coefficient of  Nonylphenol ethoxylates (CAS No.127087-87-0) 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 4-methoxyphenol, phenol, benzene, 2,6-diphenylpyridine, toluene, ethylbenzene, n-butylbenzene and diphenylether having Pow value ranging from 1.3 to 4.9.

The Log Pow value for Nonylphenol ethoxylates (CAS No.127087-87-0) was determined to be 5.669± 0.006 at 25°C.