Reaction mass of (2S,6S)-2,6-Dimethylmorpholine and (2R,6R)-2,6-Dimethylmorpholine

Partition coefficient

Administrative data

Endpoint:

partition coefficient

Type of information:

migrated information: read-across from supporting substance (structural analogue or surrogate)

Adequacy of study:

key study

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

other: guideline study, scientifically acceptable

Data source

Reference

Reference Type:

study report

Title:

Unnamed

Year:

1988

Report date:

1988

Materials and methods

Test guideline

Qualifier:

according to guideline

Guideline:

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

GLP compliance:

no

Type of method:

shake-flask method to: 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

IUPAC Name:

2,6-dimethylmorpholine

Details on test material:

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

Study design

Analytical method:

gas chromatography

Results and discussion

Partition coefficient

Type:

log Pow

Partition coefficient:

-0.15

Temp.:

25 °C

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.