Registration Dossier

Diss Factsheets

Administrative data

Endpoint:
partition coefficient
Type of information:
calculation (if not (Q)SAR)
Remarks:
Migrated phrase: estimated by calculation
Adequacy of study:
key study
Study period:
2008-07-01
Reliability:
1 (reliable without restriction)

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2008
Report date:
2008

Materials and methods

Test guideline
Qualifier:
according to guideline
Guideline:
EU Method A.8 (Partition Coefficient)
GLP compliance:
not specified
Type of method:
other: calculation
Partition coefficient type:
octanol-water

Test material

Constituent 1
Chemical structure
Reference substance name:
2-phosphonobutane-1,2,4-tricarboxylic acid
EC Number:
253-733-5
EC Name:
2-phosphonobutane-1,2,4-tricarboxylic acid
Cas Number:
37971-36-1
Molecular formula:
C7H11O9P
IUPAC Name:
2-phosphonobutane-1,2,4-tricarboxylic acid

Results and discussion

Partition coefficient
Type:
log Pow
Partition coefficient:
-1.36
Temp.:
25 °C
Details on results:
no further details

Any other information on results incl. tables

no further information

Applicant's summary and conclusion

Conclusions:
The log Pow of the non-water-based substance was calculated to be -1.36 at 25°C.
Executive summary:

Using the software program EPISuite v. 3.20, the log Pow of the non-water-based substance was calculated to be -1.36 at 25°C. It was scientifically not reasonable to determine the log Pow (Pow = Partition coefficient octanol/water) for the water-based substance as (1) water is part of the partition system and (2) for environmental risk assessments etc. this value is relevant and fully sufficient.

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