Amines, N-tallow alkyltrimethylenedi-, reaction products with epichlorohydrin

Partition coefficient

Link to relevant study record(s)

Reference

Endpoint:

partition coefficient

Type of information:

experimental study

Adequacy of study:

key study

Study period:

June 05, 2018 - September 08, 2018

Reliability:

1 (reliable without restriction)

Qualifier:

according to guideline

Guideline:

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

GLP compliance:

yes

Type of method:

HPLC method

Remarks:

Detection of test item in n-Hexane and n-octanol using both GC-MSD and HPLC-PDA methods.

Partition coefficient type:

octanol-water

Specific details on test material used for the study:

Chemical Name Amines, N-tallow alkyl trimethylenedi-reaction products with epichlorohydrin
CAS Number 93821-29-5
Batch Number ST-637
Molecular weight Not available
Molecular Formula Not available
Purity % 100 %
Manufacturing date March 2018
Expiry date February 2019

Analytical method:

gas chromatography

high-performance liquid chromatography

mass spectrometry

photometric method

Key result

Type:

log Pow

Partition coefficient:

> 2

Temp.:

25 °C

pH:

7

Remarks on result:

other:

Remarks:

it was impossible to define the partition coefficient value in a precise and accurate way. However considering the lipophilic nature of the test item and its poor solubility (~10-2 g/L, or lesser than, referred from RCC study No., 8036), the log Pow would be > 2.

Details on results:

The partition coefficient of test item, poly flow 130 cannot be precisely and accurately defined. The following hypothesis supports the conclusion phase.
The solubility of test item depends on its purity; any presence of impurities will enhance or decree the solubility of test item in water and n-octanol. This has been substantiated for the test item Poly flow 130 by multiple peaks resolved in HPLC and GC technique. Moreover the different fragmentation pattern for different peaks resolved augments the hypothesis of purity cannot be well defined.
In case the test item was of highly reactive / unstable in original form / catalyst, it needs to be stabilized using certain solvents / inert chemicals / stabilizing oils / buffers to preserve its originality for industrial purpose, thereby preventing refining of analytical reference standard. In such situation also multiple peaks resolve based on instrument conditions thereby supporting the hypothesis of test item identity under normal environment may behave differently and its partitioning property between two immiscible solvents cannot be well precisely and accurately defined.
However the poor solubility of test item (as a whole) in water and greater solubility in n-octanol augments that the test item is lipophilic thereby favoring the log Pow value greater than 4.0.

Conclusions:

The Partition coefficient of the liquid test item was log Pow > 2.

Executive summary:

The objective of this study was to determine the partition coefficient (log Pow) for Polyflo130 following EC Guideline A.24 and OECD 107 /OECD117 guidelines. Since the test item is an UVCB and poorly soluble in water (< 10^-2g/L), the partition coefficient value was impossible to measure in a precise and accurate way.

The test item was found to be highly soluble in n-Octanol, while in water it forms dispersion and coagulation. The poor solubility of test item (as a whole) in water and greater solubility in n-octanol augments that the test item is lipophilic.

The results from chromatogram / spectrum of respective instrumentation technique revealed that both the instrumentation techniques resolved the test item in to multiple peaks. The different fragmentation pattern and different absorbance pattern obtained from GC-MS and HPLC – PDA spectrum substantiates that the test item consists of several homologous component. Non-availability of the analytical reference standard, molecular weight and molecular formula made identification of peaks cannot be done.

Hence considering the above facts it was impossible to define the partition coefficient value in a precise and accurate way. However considering the lipophilic nature of the test item and its poor solubility (~10-2 g/L, or lesser than, referred from RCC study No., 8036), the log Pow would be > 2.

Description of key information

PolyFlo130 (OECD 107): the log Pow > 2

Key value for chemical safety assessment

Log Kow (Log Pow):

2

at the temperature of:

20 °C

Additional information

The objective of this study was to determine the partition coefficient (log Pow) for Polyflo130 following EC Guideline A.24 and OECD 107 /OECD117 guidelines. Since the test item is an UVCB and poorly soluble in water (<10^-2g/L), the partition coefficient value was impossible to measure in a precise and accurate way.

The test item was found to be highly soluble in n-Octanol, while in water it forms dispersion and coagulation. The poor solubility of test item (as a whole) in water and greater solubility in n-octanol augments that the test item is lipophilic.

The results from chromatogram / spectrum of respective instrumentation technique revealed that both the instrumentation techniques resolved the test item in to multiple peaks. The different fragmentation pattern and different absorbance pattern obtained from GC-MS and HPLC – PDA spectrum substantiates that the test item consists of several homologous component. Non-availability of the analytical reference standard, molecular weight and molecular formula made identification of peaks cannot be done.

Hence considering the above facts it was impossible to define the partition coefficient value in a precise and accurate way. However considering the lipophilic nature of the test item and its poor solubility (~10-2 g/L, or lesser than, referred from RCC study No., 8036), the log Pow would be > 2.