Schiff bases, C11-14-tert-alkyl methylene

Partition coefficient

Link to relevant study record(s)

Reference

Endpoint:

partition coefficient

Type of information:

experimental study

Adequacy of study:

key study

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Justification for type of information:

Performed to HPLC Guideline method for GLP

Qualifier:

according to guideline

Guideline:

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

GLP compliance:

yes

Type of method:

HPLC method

Partition coefficient type:

octanol-water

Specific details on test material used for the study:

Batch HMK/370/12/1

Analytical method:

high-performance liquid chromatography

Type:

log Pow

Partition coefficient:

ca. 4.13

Temp.:

20 °C

pH:

ca. 11

Details on results:

Temperature of column was room temperature, set at ca 20 C
The pH was not adjusted and is ca pH 11 in water /methanol media
The headline figure of 4.13 was chosen as over 94% of recovered material had eluted at this point.
Breakdown of substance by HPLC peak area:
11% Log 3.56
25% Log 3.60
54% Log 3.70
4% Log 4.13
< 2%Log 4.83
Balance Log 5.07 - 5.51

Conclusions:

Over 94% of the UVCB eluted through HPLC with an indicative Log Kow < 4.5 and a headline number of 4.13 has been used for the CSR.
Fragments of the substance eluted later with minor peaks, with the final peak recorded at Log Kow 5.51

Description of key information

The headline figure of 4.13 was chosen for CSR as over 94% of recovered material had eluted at this point.

Breakdown of substance by HPLC peak area:

11% Log 3.56

25% Log 3.60

54% Log 3.70

 4% Log 4.13

< 2%Log 4.83

Balance Log 5.07 - 5.51

Key value for chemical safety assessment

Log Kow (Log Pow):

3.14

at the temperature of:

20 °C