Nitriles, C16-18 and C18-unsatd.

Partition coefficient

Link to relevant study record(s)

Reference

Endpoint:

partition coefficient

Type of information:

experimental study

Adequacy of study:

key study

Study period:

31-10-1991 till 29 -07-1992

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

other: see 'Remark'

Remarks:

Tallownitrile is a long chain alkylamine with negligible surface active properties. Tallownitrile is a mixture of alkyl nitriles with different alkyl chain lenghts the measured log Kow is therefore a conditional value. The mass balances at the three tested concentrations are OK. The result observed is not very far from the calculated value of KOWWIN of 7.71

Qualifier:

equivalent or similar to guideline

Guideline:

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

Deviations:

yes

Remarks:

Tallownitrile is not a pure substance, i.e. a conditional partitioning coefficient was derived

GLP compliance:

yes

Type of method:

shake-flask method to: flask method

Partition coefficient type:

octanol-water

Analytical method:

gas chromatography

Type:

log Pow

Partition coefficient:

5.08

Temp.:

21 °C

pH:

5.55

Partition coefficient of CESIO 45 between n-octanol and water (based on peak 3)
Sample	Unit	A	B	C	D	E	F
n-octanol volume	ml	5	5	10	10	20	20
CESIO 45 in octanol	ug/L	2386	2519	2561	2516	2573	2276
Total CESIO 45 in octanol	ug	11930	12590	25620	25160	51480	45520
Water volume	ml	80	80	80	80	80	80
CESIO 45 in water	ug	0.0176	0.0218	0.0212	0.0243	0.0180	0.0223
Total CESIO 45 added	ug	12120	12120	24240	24240	48480	48480
tal CESIO 45 recovered	ug	11931	12597	25612	25162	51461	45522
pH water phase after partitioning		5.60	5.93	5.49	5.38	5.26	5.72
Kow		135568	115550	120802	103539	142944	102063
log Kow		5.13	5.06	5.08	5.02	5.16	5.01
Mean log Kow= 5.08 ± 0.06
Equivalent Kow = 120000

Executive summary:

The test material CESIO 45 is a mixture of alkyl nitriles known as tallow nitrile: it was subjected to a test designed to determine its n-octano1:water partition coefficient. The partition coefficient, based on the third peak of the mixture.(C18 alkyl ), accounting for approx. 60% of the components of the mixture, was found to be 120000 (log Kow = 5.08). The partition coefficient for the component with the second largest peak was not calculated as the concentration in some of the aqueous phases was below the limit of detection.

Description of key information

The Log Pow has been determined to 5.08 at 21°C at pH 5.55

Key value for chemical safety assessment

Log Kow (Log Pow):

5.08

at the temperature of:

21 °C

Additional information

The Log Pow has been determined to 5.08 at 21°C at pH 5.55