3-aminophenol

Partition coefficient

Link to relevant study record(s)

Reference

Endpoint:

partition coefficient

Type of information:

experimental study

Adequacy of study:

key study

Study period:

From 2002-01-28 to 2005-05-31

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Justification for type of information:

Experimental test performed using standard test guideline

Qualifier:

according to guideline

Guideline:

OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)

Deviations:

no

Principles of method if other than guideline:

To determine ocatanol water partition coefficinet of test chemical 3-aminophenol using shake flask method

GLP compliance:

yes

Type of method:

flask 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: 220117
- Expiration date of the lot/batch: september 2005
- Purity test date: 2004-08-31

STABILITY AND STORAGE CONDITIONS OF TEST MATERIAL
- Storage condition of test material: at +4°C, protected from light and under nitrogen gas
- Stability under test conditions: nd

TREATMENT OF TEST MATERIAL PRIOR TO TESTING
- Treatment of test material prior to testing: no

Analytical method:

high-performance liquid chromatography

Key result

Type:

log Pow

Partition coefficient:

0.183

Temp.:

20 °C

pH:

7.5

Remarks on result:

other: other details not available

Details on results:

The pH values of the aqueous phases at the end of the shaking were 7.5 +/- 0.1 and solutions were whitish.

Conclusions:

The partition coefficient log Pow value of the test chemical is determined to be 0.183 at 20 degree celsius at the pH of 7.5 .

Executive summary:

The purpose of the study was to determine the partition coefficent log Pow value of the testchemical by the shake-flask method (OECD 117) . The partition coefficient log Pow value of the test chemical  is determined to be 0.183 at 20 degree celsius at the pH of 7.5 . On the basis of this partition coefficient value it can be concluded that test chemical 3 -aminophenol is hydrophilic in nature.

Description of key information

The purpose of the study was to determine the partition coefficent log Pow value of the testchemical by the shake-flask method (OECD 117) . The partition coefficient log Pow value of the test chemical  is determined to be 0.183 at 20 degree celsius at the pH of 7.5 . On the basis of this partition coefficient value it can be concluded that test chemical 3 -aminophenol is hydrophilic in nature.

Key value for chemical safety assessment

Log Kow (Log Pow):

0.183

at the temperature of:

20 °C

Additional information

Various experimental studies from have been reviewed to determine octanol water partition coefficient of test chemical 3-aminophenol.

 

The first study was experimental report (2005) in this the purpose of the study was to determine the partition coefficient log Pow value of the test chemical by the shake-flask method (following guideline OECD 117). The partition coefficient log Pow value of the test chemical is determined to be 0.183 at 20 degree Celsius at the pH of 7.5.

 

Next study was also experimental study report (2012) in this study the partition coefficient (Log Pow) of test chemical 3-aminophenol  was determined  to be 0.22 dimensionless at 25°C  temperature and neutral pH 6.99.  

 

Further, other supporting data from another experimental study, reliable handbooks, various authoritative databases and publications, also determined the octanol water partition coefficient of 3-aminophenol as 0.21, 0.15, 0.16, 0.17 dimensionless.

 

Last study was reviewed from journal Quantitative Structure-Activity Relationship (1983) in this study the octanol water partition coefficient of test chemical 3-aminophenol was determined by using shake flask method. First of all the extinction coefficient for the test chemical in water was determined at a peak or shoulder in the UV spectrum above 220 nm. At least 4 samples with a concentration range of minimum 10-fold were prepared and partitioned between 1-octanol and water. 10 mg of the test chemical added in 2 ml/10 ml 1-octanol/water then to separate the phases the samples were thereafter centrifuged for 90 minutes at 2000 rpm. Part of the water layer was transferred to a UV cell and the absorbance measured with 1-octanol saturated water in the reference cell. The concentration of the compound in the 1-octanol layer was determined by subtraction. The partition coefficient (Log Pow) of test chemical 3-aminophenol was determined to be 0.17 dimensionless.  By considering Log pow value it can be concluded that test chemical 3-aminophenol is hydrophilic in nature.

 

By considering results of all the studies mentioned above it can be concluded that the octanol water partition coefficient (log pow) of test chemical 3-aminophenol (CAS no. 591-27-5) is in range from 0.15 to 0.22 dimensionless. By considering range Log pow value it can be concluded that test chemical 3-aminophenol is hydrophilic in nature which is also supported by high water solubility of test chemical 3-aminophenol.