4-propylcyclohexanone

Partition coefficient

Link to relevant study record(s)

Reference

Endpoint:

partition coefficient

Type of information:

experimental study

Adequacy of study:

key study

Study period:

15.08.1990 to 03.12.1990

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Qualifier:

according to guideline

Guideline:

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

Deviations:

no

Qualifier:

according to guideline

Guideline:

EU Method A.8 (Partition Coefficient - Shake Flask Method)

Deviations:

no

GLP compliance:

yes (incl. QA statement)

Type of method:

flask method

Partition coefficient type:

octanol-water

Analytical method:

gas chromatography

Key result

Type:

log Pow

Partition coefficient:

2.62

Temp.:

20 °C

pH:

>= 6 - <= 6.1

(a) Summary

 The partition coefficient octanol water of the test item was determined to be p=420.7 and logPow 2.62 at 20 °C.

 

(b) Presentation of the results including calculation and statistical methods 

The pH value of the n-noctaol saturated water phase was determined to be 6.0

The pH value of the water saturated n-octanol phase was determined to be 6.1.

The temperature during the equilibration phase was constant at 21.5 °C.

 

I ) Determination of the test item concentration

 

i) water phase 

sample            concentration

b1                   0.003 mg/L (below LoD)

b2                   0.004 mg/L (below LoD)

c1                   0.003 mg/L (below LoD)

c2                   0.003 mg/L (below LoD)

d1                   0.003 mg/L (below LoD)

d2                   0.003 mg/L (below LoD)

 

ii) n-octanol phase 

sample            concentration

b1                   1.25 mg/L

b2                   1.26 mg/L

c1                   1.24 mg/L

c2                   1.33 mg/L

d1                   1.25 mg/L

d2                   1.24 mg/L

 

The measured concentration of the substance solution in n-octanol was 1.26 mg/mL. The value calculated from the initial sample weight was 1.27 mg/mL. These values are consistent within the accuracy of the concentration determination method.

II calculation 

sample	nominal concentration (mg)	measured concentration (mg)	%	Pow
b1	30.04	30.46	98.15	416.7
b2	30.29	30.46	99.45	315.0*
c1	22.37	22.84	97.95	413.3
c2	23.99	22.84	105.04	443.3
d1	15.07	15.23	98.98	416.7
d2	14.95	15.23	99.19	413.3
mean				403.1
			lgPow	2.62397

 

Conclusions:

The partition coefficient logPow was determined to be above 2.6 at 20 °C.

Executive summary:

A study was conducted in accordance with Regulation (EC) No 440/2008 method A.8 to determine the partition coefficient of the test substance using the shake flask method. The equilibrium concentration of the test item in both phases was determined by means of GC. After adding the different amounts of stock solution, pre-saturated double distilled water and pre-saturated 1-octanol, the ampules were shaken in a shaking apparatus. After shaking the phases were allowed to separate in the ampules. The pH values of all water phases were measured. The log Pow was determined to be 2.6.

Description of key information

The partition coefficient logPow was determined to be above 2.6 at 20 °C (reference 4.7 -1).

Key value for chemical safety assessment

Log Kow (Log Pow):

2.6

at the temperature of:

20 °C

Additional information

A study was conducted in accordance with Regulation (EC) No 440/2008 method A.8 to determine the partition coefficient of the test substance using the shake flask method (reference 4.7 -1). The equilibrium concentration of the test item in both phases was determined by means of GC. After adding the different amounts of stock solution, pre-saturated double distilled water and pre-saturated 1-octanol, the ampules were shaken in a shaking apparatus. After shaking the phases were allowed to separate in the ampules. The pH values of all water phases were measured. The log Pow was determined to be 2.6.