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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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

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
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

Constituent 1
Chemical structure
Reference substance name:
L-threonine
EC Number:
200-774-1
EC Name:
L-threonine
Cas Number:
72-19-5
Molecular formula:
C4H9NO3
IUPAC Name:
L-threonine
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).