trisodium 3-[(E)-2-(4-{[4-chloro-6-({2-[(4-{[4-(ethenesulfonyl)phenyl]amino}-6-fluoro-1,3,5-triazin-2-yl)amino]propyl}amino)-1,3,5-triazin-2-yl]amino}-5-sulfonaphthalen-1-yl)diazen-1-yl]naphthalene-1,5-disulfonate

Partition coefficient

Link to relevant study record(s)

Reference

Endpoint:

partition coefficient

Type of information:

experimental study

Adequacy of study:

key study

Study period:

06 July 2006 to 16 August 2006

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Qualifier:

according to guideline

Guideline:

EU Method A.8 (Partition Coefficient)

Deviations:

not specified

Qualifier:

according to guideline

Guideline:

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

Qualifier:

according to guideline

Guideline:

OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)

GLP compliance:

yes (incl. QA statement)

Remarks:

RCC Ltd., CH-4452 Itingen, Switzerland

Type of method:

other: calculated

Partition coefficient type:

octanol-water

Specific details on test material used for the study:

Identity: FAT 40826/A
Batch: TZ 5604 BOP 01/06
Purity: Content of organic part (Na-salt): approx. 78 %
Oligomers: 13 %
Main component: approx. 48 %
Appearance: Solid, orange powder
Expiration date: February 01, 2011
Storage: At room temperature at about 20 °C in a desiccator.

Analytical method:

high-performance liquid chromatography

Type:

log Pow

Partition coefficient:

< -6.1

Remarks on result:

other: Calculated value

Details on results:

Neither the HPLC-method according to OECD Guideline No. 117 nor the flask-shaking method according to OECD Guideline No. 107 were applicable for the determination of the partition coefficient of FAT 40826/A. Thus, the log Pow-value for the test item was estimated from its solubility in n-octanol and in water, respectively. In the present study, the water solubility of FAT 40826/A was found to be >740 g/L and the n-octanol solubility of FAT 40826/A was determined to be <0.636 ug/ml.

Conclusions:

The calculated partition coefficient of FAT 40826 between n-octanol and aqueous phase is: log Pow = <-6.1

Executive summary:

In a GLP-compliant study, performed according to OECD guideline 117 and 107, the partition coefficient of the test substance between n-octanol and aqueous phase was determined. Neither the HPLC-method nor the flask-shaking method were applicable for the determination of the partition coefficient of the test substance. Thus, the log Pow-value for the test item was estimated from its solubility in n-octanol and in water. The calculated partition coefficient of the test substance between n-octanol and aqueous phase is: log Pow = <-6.1.

Description of key information

The calculated partition coefficient of the test substance between n-octanol and aqueous phase is: log Pow = <-6.1.

Key value for chemical safety assessment

Log Kow (Log Pow):

-6.1

at the temperature of:

20 °C

Additional information

In a GLP-compliant study, performed according to OECD guideline 117 and 107, the partition coefficient of the test substance between n-octanol and aqueous phase was determined (RCC 2006). Neither the HPLC-method nor the flask-shaking method were applicable for the determination of the partition coefficient of the test substance. Thus, the log Pow-value for the test item was estimated from its solubility in n-octanol and in water. The calculated partition coefficient of the test substance between n-octanol and aqueous phase is: log Pow = <-6.1.