Registration Dossier

Administrative data

Endpoint:
water solubility
Type of information:
(Q)SAR
Adequacy of study:
key study
Study period:
06/12/2017-20/12/2017
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
results derived from a valid (Q)SAR model and falling into its applicability domain, with adequate and reliable documentation / justification

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2017
Report date:
2017

Materials and methods

Test guideline
Guideline:
other: REACH Guidance on QSARs R.6 (following OCDE 105)
Principles of method if other than guideline:
Not required
GLP compliance:
not specified
Other quality assurance:
other: Not applicable
Type of method:
other: Not applicable

Test material

Constituent 1
Chemical structure
Reference substance name:
Undecenoic acid
EC Number:
215-583-9
EC Name:
Undecenoic acid
Cas Number:
1333-28-4
Molecular formula:
C11H20O2
IUPAC Name:
undec-2-enoic acid
Specific details on test material used for the study:
SMILE : C=CCCCCCCCCC(=O)[O-].[Na+]

Results and discussion

Water solubility
Key result
Water solubility:
ca. 58.4 mg/L
Conc. based on:
test mat.
Remarks on result:
other: QSAR predicted value
Details on results:
95% confidence limits (mg test item.L-1) : 47.8 – 71.5

Applicant's summary and conclusion

Executive summary:

The water solubility value anticipated following a water solubility study according to OECD guideline 105 is 58.4 mg/L at 25°C.