Diammonium dihydroxybis[lactato(2-)-O1,O2]titanate(2-)

Partition coefficient

Link to relevant study record(s)

Reference

Endpoint:

partition coefficient

Type of information:

experimental study

Adequacy of study:

key study

Study period:

1st February - 23rd February, 2019

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

Partition coefficient type:

octanol-water

Specific details on test material used for the study:

Identification Tyzor LA
Appearance A Clear to slightly hazy, colorless to light yellow liquid
Manufacturer’s address Dorf Ketal Chemicals India Private Limited,Plot no. 2, Block – F, Sector – 12N,Adani Ports & SEZ, Taluka – Mundra,District – Kutch, Gujarat – 370421.
Chemical Name Diammonium dihydroxybis[lactato(2-)-01, 02]titanate(2-)
Batch No. 334-300149/000160
CAS No. 65104-06-5
Formulation type Chemical
Molecular weight 298.1484
Molecular Formula C6H22N2O8Ti
Purity 99 %
Manufacturing date April, 2018
Expiry date March, 2020
Stability The product is stable under storage at normal ambient temperature
Storage conditions Room Temperature (20 to 30ºC)

Analytical method:

high-performance liquid chromatography

Key result

Type:

log Pow

Partition coefficient:

>= -1.38 - <= 0

Temp.:

25 °C

pH:

7

Conclusions:

The log Pow value shall be approximated to -1.38 and < 0 from HPLC method of partition coefficient determination.

Executive summary:

The present study was conducted to determine the Partition Coefficient [n-Octanol / water (P_ow)]forthe solid test item “Tyzor LA” by shake flask method / HPLC method in accordance with current OECD testing guidelines.

The HPLC method did not suite for validation since the test item did not pass through minimum theoretical plates to achieve good separation and constant retention time. Hence UV-Visible spectrometric method was developed and validated for quantization of test item in water saturated n-octanol and n-octanol saturated water.

During the assay accuracy phase of method validation, the UV-Vis absorbance spectrum revealed a different pattern for n-octanol saturated water and water saturated n-octanol. However with pure water and octanol, the data generated was reliable and was on par with theoretical values. Hence based on solubility data at the level of 0.01M concentration the approximate log Pow value was -1.38.

To substantiate the partitioning of the test item towards aqueous medium it has been decided to go with OECD 117 guidelines, HPLC method of partition coefficient determination. The result from this method clearly depicted that the test item partitioning was more towards aqua layer than n-octanol layer. But the result on the retention time clearly augment that the log Pow value was less than zero but without any concrete value. The reason is extrapolation cannot be carried out for any value on retention time lesser than Thiourea, (log Pow = 0).

Based on the facts Viz., higher solubility of test item in water, poor solubility in n-octanol, test item different behavior in water saturated n-octanol and the lesser retention time than the dead retention time pertaining to thiourea, the actual value on Pow cannot be precisely and accurately defined. However with the above mentioned solubility of test item to a concentration level of 0.01M, the log Pow value shall be approximated to -1.38 and < 0 from HPLC method of partition coefficient determination.

Description of key information

Partition Coefficient (Tyzor LA; OECD 107): log Pow between -1.38 and 0

Key value for chemical safety assessment

Log Kow (Log Pow):

-0.69

at the temperature of:

25 °C

Additional information

The present study was conducted to determine the Partition Coefficient [n-Octanol / water (Pow)] for the solid test item “Tyzor LA” by shake flask method / HPLC method in accordance with current OECD testing guidelines.

The HPLC method did not suite for validation since the test item did not pass through minimum theoretical plates to achieve good separation and constant retention time. Hence UV-Visible spectrometric method was developed and validated for quantization of test item in water saturated n-octanol and n-octanol saturated water.

During the assay accuracy phase of method validation, the UV-Vis absorbance spectrum revealed a different pattern for n-octanol saturated water and water saturated n-octanol. However with pure water and octanol, the data generated was reliable and was on par with theoretical values. Hence based on solubility data at the level of 0.01M concentration the approximate log Pow value was -1.38.

To substantiate the partitioning of the test item towards aqueous medium it has been decided to go with OECD 117 guidelines, HPLC method of partition coefficient determination. The result from this method clearly depicted that the test item partitioning was more towards aqua layer than n-octanol layer. But the result on the retention time clearly augment that the log Pow value was less than zero but without any concrete value. The reason is extrapolation cannot be carried out for any value on retention time lesser than Thiourea, (log Pow = 0).

Based on the facts Viz., higher solubility of test item in water, poor solubility in n-octanol, test item different behavior in water saturated n-octanol and the lesser retention time than the dead retention time pertaining to thiourea, the actual value on Pow cannot be precisely and accurately defined. However with the above mentioned solubility of test item to a concentration level of 0.01M, the log Pow value shall be approximated to -1.38 and < 0 from HPLC method of partition coefficient determination.