Registration Dossier

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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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:
(Q)SAR
Adequacy of study:
key study
Reliability:
4 (not assignable)
Rationale for reliability incl. deficiencies:
other: QSAR. Log Kow QSARs are considered reliable for small organic molecules with none other than C, H, and O atoms. Moreover, estimate is in line with measured aqueous solubility.
Justification for type of information:
QSAR prediction: migrated from IUCLID 5.6

Data source

Reference
Reference Type:
other company data
Title:
Unnamed
Year:
2010

Materials and methods

Principles of method if other than guideline:
EPI Suite
GLP compliance:
not specified
Type of method:
other: QSAR
Partition coefficient type:
octanol-water

Test material

Constituent 1
Chemical structure
Reference substance name:
(3S-cis)-3,6-dimethyl-1,4-dioxane-2,5-dione
EC Number:
224-832-0
EC Name:
(3S-cis)-3,6-dimethyl-1,4-dioxane-2,5-dione
Cas Number:
4511-42-6
Molecular formula:
C6H8O4
IUPAC Name:
3,6-dimethyl-1,4-dioxane-2,5-dione

Study design

Analytical method:
other: QSAR selected by EPI Suite

Results and discussion

Partition coefficient
Type:
log Pow
Partition coefficient:
1.65
Temp.:
20 °C
Remarks on result:
other: Note that this is estimated partition coefficient; estimate is valid at room temperature.

Applicant's summary and conclusion

Executive summary:

Vapour pressure is 0.28 pa @ 25°C; note that this is supposed to be the vapour pressure of the solid. The (hypothetical) vapour pressure of the supercooled liquid at 25°C is 1.4 Pa.