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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.

The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.

Diss Factsheets

Administrative data

Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Study period:
8 January 2018 - 29 November 2018
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2018
Report date:
2019

Materials and methods

Test guidelineopen allclose all
Qualifier:
according to guideline
Guideline:
OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
Deviations:
no
Qualifier:
according to guideline
Guideline:
other: EU method A.24 (Partition coefficient - HPLC method)
Deviations:
no
Qualifier:
according to guideline
Guideline:
EPA OPPTS 830.7570 (Partition Coefficient, n-octanol / H2O, Estimation by Liquid Chromatography)
Deviations:
no
GLP compliance:
yes (incl. QA statement)
Type of method:
HPLC method
Partition coefficient type:
octanol-water

Test material

Constituent 1
Chemical structure
Reference substance name:
1,4-dioxan-2-one
EC Number:
608-477-2
Cas Number:
3041-16-5
Molecular formula:
C4H6O3
IUPAC Name:
1,4-dioxan-2-one
Test material form:
solid
Details on test material:
- Physical state: powder/solid
- Appearance: white powder
Specific details on test material used for the study:
- Batch n°: YRMC196
- Expiration date: 24 January 2019
- Purity: 99.93%
- Storage conditions: in refrigerator (2-8°C)

Study design

Analytical method:
high-performance liquid chromatography

Results and discussion

Partition coefficient
Type:
log Pow
Partition coefficient:
< 0.3
pH:
7
Remarks on result:
other: The temperature was not reported but room temperature is assumed
Details on results:
Under the same analytical conditions, the retention time of 2-butanone (log Pow = 0.3) was 0.725 minutes. Hence, it was concluded that the log Pow of test item (retention time 0.632 min) and its degradation product (retention time 0.653 min) was < 0.3 (Pow < 2.0 E0).

Any other information on results incl. tables

Calculation of the Pow

The Pow of the test item was calculated to be 3.5 x E1 (log Pow -0.45) using the Rekker calculation method.

No pKa values for acidic and basic groups in the molecular structure of the test item in the logarithm range of 1 -14 were calculated.

HPLC method

In the chromatograms of all test solutions, one test item peak was observed.

The retention times are shown in the table below.

Under the same analytical conditions, the retention time of 2-butanone (log Pow = 0.3) was 0.725 minutes. Hence, it was concluded that the log Pow of test item (retention time 0.632 min) and its degradation product (retention time 0.653 min) was < 0.3 (Pow < 2.0 E0).

 Substance  tr,1 [min]    tr,2 [min]  mean tr (n=2)  log Pow  Pow
 2 -Butanone  0.723  0.726  0.725  0.3  
 Test item-degradation product  0.652  0.654  0.653  < 0.3  < 2.0 E0
 Test item-test item peak  0.632  0.631  0.632  < 0.3  <2.0 E0

Applicant's summary and conclusion

Conclusions:
The HPLC method was applied for the determination of the partition coefficient (Pow) of 1,4-dioxan-2-one (PDO monomer).
The Pow and log Pow value of both the test item at neutral pH was < 2.0 and < 0.3, respectively.