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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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:
calculation (if not (Q)SAR)
Remarks:
Migrated phrase: estimated by calculation
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: peer-reviewed database

Data source

Reference
Reference Type:
secondary source
Title:
Data From SRC PhysProp Database
Author:
MEYLAN,WM & HOWARD,PH
Year:
1995
Bibliographic source:
SRC PhysProp Database, online query 01 Jul 2013
Report date:
2013

Materials and methods

Principles of method if other than guideline:
estimation
GLP compliance:
no
Partition coefficient type:
octanol-water

Test material

Constituent 1
Chemical structure
Reference substance name:
2,4-dihydro-5-methyl-3H-pyrazol-3-one
EC Number:
203-565-3
EC Name:
2,4-dihydro-5-methyl-3H-pyrazol-3-one
Cas Number:
108-26-9
Molecular formula:
C4H6N2O
IUPAC Name:
2,4-dihydro-5-methyl-3H-pyrazol-3-one

Results and discussion

Partition coefficient
Type:
log Pow
Partition coefficient:
0.22
Temp.:
25 °C
Remarks on result:
other: estimated

Applicant's summary and conclusion

Conclusions:
The partition coefficient of test substance was estimated to be logPow= 0.22 at 25°C