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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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:
other information
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: Scientifically acceptable study with detailed documentation.

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
1989
Report date:
1989

Materials and methods

Test guideline
Qualifier:
equivalent or similar to guideline
Guideline:
OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
GLP compliance:
no
Type of method:
shake-flask method to: flask method
Remarks:
determined by GC
Partition coefficient type:
octanol-water

Test material

Constituent 1
Chemical structure
Reference substance name:
1,8-diazabicyclo[5.4.0]undec-7-ene
EC Number:
229-713-7
EC Name:
1,8-diazabicyclo[5.4.0]undec-7-ene
Cas Number:
6674-22-2
Molecular formula:
C9H16N2
IUPAC Name:
2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine
Details on test material:
- Name of test material (as cited in study report): 1,8-Diazabicyclo(5,4,0)undecen-7
- Analytical purity: 98 .4 %

Results and discussion

Partition coefficientopen allclose all
Type:
log Pow
Partition coefficient:
-0.43
Temp.:
25 °C
pH:
12.4
Type:
log Pow
Partition coefficient:
< -2.2
Temp.:
25 °C
pH:
7

Applicant's summary and conclusion