Registration Dossier

Diss Factsheets

Physical & Chemical properties

Water solubility

Currently viewing:

Administrative data

Endpoint:
water solubility
Type of information:
(Q)SAR
Adequacy of study:
supporting study
Study period:
run on 2018
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
results derived from a valid (Q)SAR model and falling into its applicability domain, with limited documentation / justification
Justification for type of information:
QSAR prediction: The values obtained on known constituents of the substance are not experimental results, however the QSAR model is recommended by the ECHA guidance document on information requirements, and is well documented with regard to validation parameters according to OECD principles. Moreover, the constituents of the substance are fully characterised and are towards the applicability domain of the model except two constituents with a logKow above the validated range reported in the Training set. It is nevertheless an indication of solubility of a part of the substance tested.
Cross-reference
Reason / purpose for cross-reference:
reference to other study

Data source

Reference
Reference Type:
other: QSAR
Title:
Unnamed
Year:
2018
Report date:
2018

Materials and methods

Principles of method if other than guideline:
QSAR estimation

Test material

Constituent 1
Reference substance name:
Extract of Boswellia serrata (Burseraceae) obtained from exudate by solvent extraction
EC Number:
947-377-6
IUPAC Name:
Extract of Boswellia serrata (Burseraceae) obtained from exudate by solvent extraction

Results and discussion

Water solubility
Water solubility:
>= 0 - <= 0.012 mg/L
Temp.:
25 °C
Remarks on result:
other: pH not reported
Details on results:
pH not reported, no Melting point used.

Applicant's summary and conclusion

Conclusions:
Interpretation of results: A part of the composition of the substance is insoluble in water (<0.1 mg/L)
Executive summary:

The water solubility of the known constituents of the substance was estimated using the recommended QSAR model WSKowWin v1.42. Even if the results shall be considered with restrictions due to the type of information (QSAR) and considering that two constituents are outside the applicability domain of the model (estimated logKow above the range of logKow in the Training set), the results are nevertheless an indication of solubility of the part of the identified substance. The calculated water solubility of the known constituents of the substance was estimated between about 4.10 -5 and 0.01222 mg/L at 25°C.