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Partition coefficient

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Reference
Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Study period:
27-07-2017 - 27-07-2017
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 N-methyl-N-phenylformamide by using HPLC method.
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): N-methylformanilide
- Name (IUPAC): N-methyl-N-phenylformamide
- Molecular formula: C8 H9 N O
- Molecular weight: 135.165 g/mol
- Smiles notation: O=CN(c1ccccc1)C
- InChl: 1S/C8H9NO/c1-9(7-10)8-5-3-2-4-6-8/h2-7H,1H3
- Substance type: Organic
- Physical state: Liquid
Analytical method:
high-performance liquid chromatography
Key result
Type:
log Pow
Partition coefficient:
1.41
Temp.:
25 °C
pH:
4.7

Test substance

 

K

Log k

Log Pow by Generalized Calibration

Graph

Mean of Log Pow ± S.D.

tR1

1.276

0.420

- 0.377

1.136

1.141± 0.007

tR2

1.279

0.423

- 0.373

1.147

Conclusions:
The partition coefficient(n-octanol/water) of test substance N-methyl-N-phenylformamide (CAS No. 93-61-8) was determined as per the HPLC method (OECD Guideline-117). The Log Pow value was determined to be 1.141± 0.007 at 25°C.
Executive summary:

The partition Coefficient n-octanol/water of N-methyl-N-phenylformamide (CAS No.93-61-8) 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 functional similarity with the test substance and calibration graph was prepared . The reference substances were Butanone, Acetophenone, Benzophenone, Phenol, Benzene, 2,6-Diphenylpyridine, 4-Acetylpyridine, 2-Nitrophenol, Nitrobenzene, Naphthalene having Pow value ranging from 0.3 to 4.9 The Log Pow value was determined to be 1.141± 0.007 at 25°C.

Description of key information

The partition coefficient(n-octanol/water) of test substance N-methyl-N-phenylformamide (CAS No. 93-61-8) was determined as per the HPLC method (OECD Guideline-117). The Log Pow value was determined to be 1.141± 0.007 at 25°C.

Key value for chemical safety assessment

Log Kow (Log Pow):
1.41
at the temperature of:
25 °C

Additional information

The partition Coefficient n-octanol/water of N-methyl-N-phenylformamide(CAS No.93-61-8) 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 functional similarity with the test substance and calibration graph was prepared . The reference substances were Butanone, Acetophenone, Benzophenone, Phenol, Benzene, 2,6-Diphenylpyridine, 4-Acetylpyridine, 2-Nitrophenol, Nitrobenzene, Naphthalene having Pow value ranging from 0.3 to 4.9 The Log Pow value was determined to be 1.141± 0.007 at 25°C.

Data from various authoritative databases and handbooks suggests that the LogPow of N-methyl-N-phenylformamide as 1.09. These values indicate that it is hydrophilic in nature, which is also supported by its solubility in water.