2-Butene, 1,1,4,4-tetramethoxy-

Partition coefficient

Administrative data

Endpoint:

partition coefficient

Type of information:

experimental study

Adequacy of study:

key study

Study period:

12.12.1990

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

other: According to OECD guideline (1989) under GLP

Cross-reference

Cross-reference 1

Reason / purpose for cross-reference:

reference to same study

Cross-reference 2

Reason / purpose for cross-reference:

reference to other study

Data source

Reference

Reference Type:

study report

Title:

Unnamed

Year:

1990

Report date:

1990

Materials and methods

Test guideline

Qualifier:

according to guideline

Guideline:

OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)

Deviations:

no

Principles of method if other than guideline:

Not relevant

GLP compliance:

yes (incl. QA statement)

Type of method:

HPLC method

Partition coefficient type:

octanol-water

Test material

Test material information

Constituent 1

Reference substance name:

(2E)-1,1,4,4-tetramethoxybut-2-ene; (2Z)-1,1,4,4-tetramethoxybut-2-ene

EC Number:

900-110-7

Cas Number:

5370-08-1

Molecular formula:

C8H16O4

IUPAC Name:

(2E)-1,1,4,4-tetramethoxybut-2-ene; (2Z)-1,1,4,4-tetramethoxybut-2-ene

Details on test material:

- Name of test material (as cited in study report):
- Physical state: liquid
- Analytical purity: 97.1%
- Storage condition of test material: In a tightly closed container at room temperature in the dark

Results and discussion

Partition coefficient

Type:

log Pow

Partition coefficient:

1

Temp.:

24.5 °C

pH:

9 999 999 999

Any other information on results incl. tables

A correlation plot of log Pow (x-value) versus log k' (y-value) for the appropriate reference substances was constructed by means of a linear regression program. The Pow value for the component of C4 -DIACETAL was calculated to be 10.0 (log Pow = l.0).

The temperature of the mobile phase was 24.4-24.5°C during the measurements.

Applicant's summary and conclusion

Conclusions:

The log Pow value of C4-DIACETAL, detectable with the chromatographic system used, was interpolated from the regression line.
In conclusion, the Pow value for the component of C4-DIACETAL was calculated to be 10.0 (log Pow=1.0).

Executive summary:

The determination of the partition coefficient (n-octanollwater) was based

on the OECD Guideline no. 117: "Partition Coefficient (n-octanol/water)

High Performance Liquid Chromatographic (HPLC) method' (1989).

In the HPLC chromatograms of C4 -DIACETAL, detected with a refractive index

detector, one peak was observed and therefore one Pow value could be

stated. The corresponding Pow value for the component of C4-DIACETAL,

detectable with the chromatographic system used, was calculated to be

10.0 (log Pow =1.0).

The temperature o f the mobile phase was 24.4-24.5OC during the measurements.