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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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:
water solubility
Type of information:
(Q)SAR
Adequacy of study:
key study
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 adequate and reliable documentation / justification
Justification for type of information:
see "Attached justification"

Data source

Reference
Reference Type:
other: QSAR
Title:
EPI Suite Version 4.11
Year:
2012
Bibliographic source:
WSKOW v1.42 (2015)

Materials and methods

Principles of method if other than guideline:
- Software tool(s) used including version: EPI v.4.11 (WSKOWWIN v1.42), US EPA
- Model(s) used: WSKOWWIN v1.42 (using the compounds log octanol-water partition coefficient)
- Model description: see field 'Attached justification'
GLP compliance:
no
Type of method:
other: QSAR

Test material

Constituent 1
Chemical structure
Reference substance name:
α-phenylpiperidine-2-acetic acid
EC Number:
243-020-7
EC Name:
α-phenylpiperidine-2-acetic acid
Cas Number:
19395-41-6
Molecular formula:
C13H17NO2
IUPAC Name:
α-phenylpiperidine-2-acetic acid
Test material form:
solid: granular

Results and discussion

Water solubility
Water solubility:
21.02 g/L
Temp.:
25 °C
Remarks on result:
other: estimated value

Applicant's summary and conclusion

Conclusions:
The estimated water solubility of the substance is 21.02 g/L at 25°C.