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Physical & Chemical properties

Partition coefficient

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Administrative data

Endpoint:
partition coefficient
Type of information:
migrated information: read-across from supporting substance (structural analogue or surrogate)
Adequacy of study:
supporting study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: read-across substance - reliable published literatur study and peer reviewed book

Data source

Referenceopen allclose all

Reference Type:
publication
Title:
Exploring QSAR: Hydrophobic, Electronic, and Steric Constants
Author:
Hansch etal.
Year:
1995
Bibliographic source:
cited in Hansch etal., Exploring QSAR: Hydrophobic, Electronic, and Steric Constants, ACS Professional Reference Book, p10, 1995, USA
Reference Type:
publication
Title:
Measurement and correlation of partition coefficients of polar aminoacids
Author:
Yunger etal.
Year:
1981
Bibliographic source:
References R1207 in Hansch etal., 1995 and Sangster etal., 2006 in Mol. Pharmacol., 20(3), 602-608 (1981)
Reference Type:
publication
Title:
LOGKOW A databank of evaluated octanol-water partition coefficients (Log P)
Author:
Sangster etal
Year:
2006
Bibliographic source:
Sangster Research Laboratories P.O. Box 49562 CSP du Musée 5122 Cote des Neiges Montréal, Québec, Canada H3T 2A5

Materials and methods

Test guideline
Qualifier:
equivalent or similar to
Guideline:
OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
Deviations:
no
GLP compliance:
not specified
Type of method:
shake-flask method to: flask method
Partition coefficient type:
other: measured

Test material

Reference
Name:
Unnamed
Type:
Constituent
Test material form:
not specified
Details on test material:
Formula: C4H9NO3
Name: L-Threonine
CAS No.: 72-19-5
SMILES: OC(C)C(N)C(=O)O

Study design

Analytical method:
other: radiochemical method

Results and discussion

Partition coefficient
Type:
log Pow
Partition coefficient:
-2.94
Temp.:
20 °C
pH:
7
Details on results:
- ion-corrected to neutral form

Applicant's summary and conclusion

Conclusions:
the log pow was measured at -2,94 (20 °C, pH=7.0).