N,N'-[(methylimino)bis(trimethylene)]bis(stearamide)

Partition coefficient

Link to relevant study record(s)

Reference

Endpoint:

partition coefficient

Type of information:

calculation (if not (Q)SAR)

Adequacy of study:

key study

Study period:

2017-01-16 and 2017-05-23

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Reason / purpose for cross-reference:

reference to other study

Reason / purpose for cross-reference:

reference to other study

Qualifier:

according to guideline

Guideline:

other: OECD Guideline 107 (Partition Coefficient (n-octanol / water), determination from individual solubilities in water and 1-octanol.

Version / remarks:

See also "Guidance on Information Requirements and Chemical Safety Assessment Chapter R.7a:
Endpoint specific guidance" , Version 5 , December 2016, page 65ff.

Deviations:

no

Principles of method if other than guideline:

Early investigations showed that the Shake Flask Method (OECD 107) was not suitable (log Pow = -2 to 4). The HPLC Method (OECD 117) was not suitable either (log Pow = 0 to 6). Hence, and as suggested in OECD Giudeline 107 (27 July 1995), the partition coefficient was determined from the individual solubilites in water and 1-octanol.

GLP compliance:

no

Type of method:

estimation method (solubility ratio)

Partition coefficient type:

octanol-water

Analytical method:

other: not applicable

Key result

Type:

log Pow

Partition coefficient:

4.08 - 5.78

Temp.:

20 °C

Remarks on result:

other: The partition coefficient of the test item was calculated from the individual solubilities in 1-octanol and water at 20°C, respectively.

Details on results:

The water solubility of the test item was determined under the reference 16-05167/1-1 / 17 -00420/1 -1.
Water solubility ranges from 10 μg/L to 500 μg/L.
The 1-octanol solubility of the test item was determined under the reference 16-05167/1-2.
Solubility of the test item in 1-octanol is 5.972 g/L ± 0.0301 g/L.

The Log Pow for N,N'-[(methylimino)bis(trimethylene)]bis(stearamide) is calculated from the individual solubilities in water and 1-octanol, based on the following equitation:

Pow = solubility of test item in 1 -octanol / solubility of test item in water

Pow = 5.972 g/L / 10 μg/L to 5.972 g/L / 500 μg/L

Pow = 597200 to 11944

log Pow = 5.78 to 4.08

Conclusions:

The partition coefficient of N,N'-[(methylimino)bis(trimethylene)]bis(stearamide) was caluculated to be in a range of Log Kow: 4.08 to 5.78.

Executive summary:

The partition coefficient of N,N'-[(methylimino)bis(trimethylene)]bis(stearamide) was calculated from the individual solubilities in 1 -octanol and water at 20°C, respectively.

Water solubility ranges from 10 μg/L to 500 μg/L.

Solubility of the test item in 1-octanol is 5.972 g/L ± 0.0301 g/L.

The log Pow was calculated as: log (Pow) = 4.08 to 5.78.

Description of key information

The partition coefficient of N,N'-[(methylimino)bis(trimethylene)]bis(stearamide) was calculated from the individual solubilities in 1 -octanol and water at 20°C, respectively.

Water solubility ranges from 10 μg/L to 500 μg/L.

Solubility of the test item in 1-octanol is 5.972 g/L ± 0.0301 g/L.

The log Pow was calculated as: log (Pow) = 4.08 to 5.78.

Key value for chemical safety assessment

Log Kow (Log Pow):

5.78

at the temperature of:

20 °C