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Diss Factsheets

Administrative data

Endpoint:
water solubility
Type of information:
(Q)SAR
Adequacy of study:
supporting study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: Calculated result by using QSAR software ACD/Labs V11.0 of Advanceed Chemistry Development, published by ACD/Labs 2013 published in REGISTRY Chemical Abstract data base of Services of American Chemical Society (ACS) 2013
Justification for type of information:
QSAR prediction: migrated from IUCLID 5.6

Data source

Reference
Reference Type:
publication
Title:
QSAR calculation used
Author:
American Chemical Society (ACS)
Year:
2013
Bibliographic source:
Calculated result by using QSAR software ACD/Labs V11.0 of Advanceed Chemistry Development, published by ACD/Labs 2013 published in REGISTRY Chemical Abstract data base of Services of American Chemical Society (ACS) 2013

Materials and methods

GLP compliance:
no
Type of method:
other: QSAR calculation used

Test material

Constituent 1
Chemical structure
Reference substance name:
Not applicable
Molecular formula:
C14H18O2 and C18H15OP
IUPAC Name:
Not applicable

Results and discussion

Water solubility
Water solubility:
0.07 g/L
Temp.:
25 °C
pH:
1 - ca. 10
Remarks on result:
other: QSAR calculation used
Details on results:
Calculated result by using QSAR software ACD/Labs V11.0 of Advanceed Chemistry Development, published by ACD/Labs 2013 published in REGISTRY Chemical Abstract data base of Services of American Chemical Society (ACS) 2013

Applicant's summary and conclusion

Conclusions:
Interpretation of results (migrated information): slightly soluble (0.1-100 mg/L)
QSAR calculation used to 0.07 g/l@25 °C

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