Oleic acid, compound with (Z)-N-octadec-9-enylpropane-1,3-diamine (2:1)

Partition coefficient

Link to relevant study record(s)

Reference

Endpoint:

partition coefficient

Type of information:

experimental study

Adequacy of study:

key study

Study period:

2009

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

guideline study with acceptable restrictions

Qualifier:

according to guideline

Guideline:

OECD Guideline 123 (Partition Coefficient (1-Octanol / Water), Slow-Stirring Method)

Deviations:

yes

Remarks:

Some adjustments have been done. The concentration of the surfactant are below the CMC value, pH has been adjusted to pH 6.8 since it is more "environmental pH"

GLP compliance:

no

Type of method:

shake-flask method to: flask method

Remarks:

slow stir

Partition coefficient type:

octanol-water

Analytical method:

high-performance liquid chromatography

mass spectrometry

Type:

log Pow

Partition coefficient:

0.03

Temp.:

25.7 °C

pH:

6.8

Details on results:

See tables 1 and 2.

The measurements were made at neutral conditions (pH=6.8) and at an initial concentration of 38 mg/L in the water phase (ca 50% of the critical micelle concentration (CMC). The partition coefficient value was determined from the weighed average of the concentrations of the main components in the test item: Diamines of C14, C16, C16’, C18’ and C18’’.

Substance	Log Pow (weighted average)	Weighted standard deviation	Log Pow Individual values				Recovery
			Sampling time (h)	Flask 1	Flask 2	Flask 3
N-oleyl-1,3-diaminopropane	0.03	0.016	44	0.0129	0.0426	-0.0761	104%
			50	-0.0659	0.0580	-0.0146
			68	0.0220	0.0864	-0.0031
			74	0.1217	0.0287	-0.0757

Table 1: The partition coefficient value was determined from the sum of the concentrations of the main components in the test item. The weighted average value of the logarithmic partition coefficient is presented.

 

Constituent	Log Pow
Tetradecyl-1,3-diaminopropane	-1.2
Hexadecyl-1,3-diaminopropane	-0.2
Hexadecenyl-1,3-diaminopropane	-1.0
Octadecenyl-1,3-diaminopropane	0.1
Octadecyldiene-1,3-diaminopropane	-0.5

Table 2: The logarithmic partition coefficient values of main components in the test item

Conclusions:

The partition coefficient of Diamine N-oleyl-1,3-diaminopropane is 0.03 (log Pow).

Executive summary:

A determination of the partition coefficient for N-oleyl-1,3-diaminopropane CAS no 7173-62-8, has been performed by using the slow stirring method according to OECD Guidelines for the Testing of Chemicals, ‘Partition coefficient (1-octanol/water): Slow stirring method’, no 123. The measurements were made at neutral conditions (pH=6.8) and at an initial concentration of 38 mg/L in the water phase (ca 50% of the critical micelle concentration (CMC). The mean partition coefficient value was weighted from the respective concentrations of the main components in the product: Diamines of C14, C16, C16’, C18’ and C18’’. A mean log Pow value of 0.03 is considered.

Description of key information

The registered substance is a salt composed by a diamine and a fatty acid. Due to the high insolubility in water (0.005 mg/L, 20°C) and in Octanol, experimental determination of the partition coefficient (log Kow) for both moities is not technically feasible. However, a log Kow value is needed for CSA and risk assessment. Therefore, the partition coefficient is stated as a surrogate at log Kow = 0.03 at 25°C according to the key GLP study OECD 123 on the main constituant of the substance.

Key value for chemical safety assessment

Log Kow (Log Pow):

0.03

at the temperature of:

25.7 °C