Registration Dossier

Data platform availability banner - registered substances factsheets

Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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:
water solubility
Type of information:
(Q)SAR
Adequacy of study:
weight of evidence
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
accepted calculation method
Justification for type of information:
1. SOFTWARE WSKOW

2. MODEL (incl. version number) V1.42

Data source

Reference
Reference Type:
publication
Title:
Water Solubility
Year:
2018
Bibliographic source:
WSKOW v1.42

Materials and methods

Test guideline
Qualifier:
no guideline followed
Principles of method if other than guideline:
- Principle of test: QSAR Solubility

Test material

Constituent 1
Reference substance name:
Decanoic acid, ester with 2,2'-[oxybis(methylene)]bis[2-(hydroxymethyl)-1,3-propanediol] octanoate pentanoate
EC Number:
268-581-5
EC Name:
Decanoic acid, ester with 2,2'-[oxybis(methylene)]bis[2-(hydroxymethyl)-1,3-propanediol] octanoate pentanoate
Cas Number:
68130-24-5
Molecular formula:
C10-H22-O7.x-C10-H20-O2.x-C8-H16-O2.x-C5-H10-O2
IUPAC Name:
Decanoic acid, ester with 2,2'-[oxybis(methylene)]bis[2-(hydroxymethyl)-1,3-propanediol] octanoate pentanoate
Test material form:
liquid
Details on test material:
- Moisture content:<= 0.05 %

Results and discussion

Water solubility
Key result
Water solubility:
ca. 1.625 mg/L
Conc. based on:
other: QSAR
Temp.:
25 °C
pH:
ca. 7
Details on results:
Water Solubility Estimate (WSKOW v1.42)

Applicant's summary and conclusion

Conclusions:
Water Solubility at 25°C = 1.625 mg/L