2,6-dimethylmorpholine

Partition coefficient

Administrative data

Endpoint:

partition coefficient

Type of information:

experimental study

Adequacy of study:

key study

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

comparable to guideline study with acceptable restrictions

Data source

Reference

Reference Type:

study report

Title:

Unnamed

Year:

1988

Report date:

1988

Materials and methods

Test guideline

Qualifier:

equivalent or similar to guideline

Guideline:

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

GLP compliance:

no

Type of method:

flask method

Partition coefficient type:

octanol-water

Test material

Test material information

Constituent 1

Reference substance name:

2,6-dimethylmorpholine

EC Number:

205-509-3

EC Name:

2,6-dimethylmorpholine

Cas Number:

141-91-3

Molecular formula:

C6H13NO

IUPAC Name:

2,6-dimethylmorpholine

Test material form:

other: liquid

Details on test material:

Name of test material (as cited in study report): 2,6-dimethylmorpholin
Analytical purity: 75.9 %2.6-cis-DMM / 23.8 %2.6-trans-DMM

Study design

Analytical method:

gas chromatography

Results and discussion

Partition coefficient

Type:

log Pow

Partition coefficient:

-0.15

Temp.:

25 °C

Remarks on result:

other: Study was performed without adjustment of pH value.

Any other information on results incl. tables

Study was performed without adjustment of pH value.

No experimental values for the temperature and pH are available. The standard programm usualy calculates these values at 25°C and for the uncharged molecules. The pH value for these substance is around 0.28. For these reasons it has been assumed, because the experimental and calculated values are quite close, it can be inferred that the molecule is nearly uncharged and therefore the experimental value can regarded as sufficient valid.

 

1.     Test sample:
20.8783 g	1-0ctanol (water-saturated)
0.1913 g	2.6-Dimethylmorpholin (2.6-DMM)
24.9621 g	Water (octanol-saturated)

	Measurement 1	Measurement 2	Measurement 3	Average	Standard deviation
Concentration of 2.6-DMM in the 1-octanol layer c/(g/l)	3.287	3.255	3.278	3.273	0.016
Concentration of 2.6-DMM in the water layer c/(g/l)	---	4.580	4.475	4.527	0.074

 

P_ow       = c (MPI in octanol layer) / c (MPI in water layer)

            = 3.273 g/l / 4.527 g/l

            = 0.723

 

2.     Test sample:
20.8955 g	1-0ctanol (water-saturated)
0.4238 g	2.6-Dimethylmorpholin (2.6-DMM)
24.8975 g	Water (octanol-saturated)

	Measurement 1	Measurement 2	Measurement 3	Average	Standard deviation
Concentration of 2.6-DMM in the 1-octanol layer c/(g/l)	7.010	6.944	6.970	6.975	0.033
Concentration of 2.6-DMM in the water layer c/(g/l)	---	10.029	10.521	10.275	0.348

 

P_ow = 0.679

 

3.     Test sample:
20.8955 g	1-0ctanol (water-saturated)
0.4238 g	2.6-Dimethylmorpholin (2.6-DMM)
24.8975 g	Water (octanol-saturated)

	Measurement 1	Measurement 2	Measurement 3	Average	Standard deviation
Concentration of 2.6-DMM in the 1-octanol layer c/(g/l)	7.010	6.944	6.970	6.975	0.033
Concentration of 2.6-DMM in the water layer c/(g/l)	---	10.029	10.521	10.275	0.348

 

P_ow = 0.679

 

Summary of results:

	POW	log POW
1.     Test sample	0.723	-0.141
2.     Test sample	0.719	-0.143
3.     Test sample	0.679	-0.168
Avarage	0.707	-0.150
Deviation from the mean	0.024