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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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

Administrative data

Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Study period:
28 september 2004
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
other: The study was conducted in GLP compliance and in accordance with several internationally established guidelines (OECD, EEC, EPA, see below).

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2004
Report date:
2004

Materials and methods

Test guidelineopen allclose all
Qualifier:
according to guideline
Guideline:
OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
Qualifier:
according to guideline
Guideline:
EU Method A.8 (Partition Coefficient)
Qualifier:
according to guideline
Guideline:
EPA OPPTS 830.7550 (Partition Coefficient, n-octanol / H2O, Shake Flask Method)
GLP compliance:
yes (incl. QA statement)
Type of method:
shake-flask method to: flask method
Partition coefficient type:
octanol-water

Test material

Constituent 1
Reference substance name:
SND 919 Precursor 2 (SND 855 BS)
IUPAC Name:
SND 919 Precursor 2 (SND 855 BS)
Test material form:
solid: particulate/powder
Remarks:
migrated information: powder
Details on test material:
- Name of test material (as cited in study report): SND 919 Precursor 2 (SND 855 BS)

- Name of test material (as cited in study report): SND 919 Precursor 2 (SND 855 BS); SND 919 Precursor 2 (SND 855)
- Molecular formula (if other than submission substance): C7H11N3S
- Molecular weight (if other than submission substance): 169.25
- Structural formula attached as image file (if other than submission substance): see Reference substance
- CAS number: 104617-49-4
- Physical state: grey solid powder
- Analytical purity: 98.0%
- Purity test date: 17 october 2004
- Lot/batch No.: 14
- Expiration date of the lot/batch: october 2005
- Storage condition of test material: at room temperature, dark and dry

Study design

Analytical method:
high-performance liquid chromatography

Results and discussion

Partition coefficientopen allclose all
Type:
log Pow
Partition coefficient:
-0.2
Temp.:
20 °C
pH:
9.24
Type:
Pow
Partition coefficient:
0.6
Temp.:
20 °C
pH:
9.24

Any other information on results incl. tables

measured partition coefficient for SND 855 BS

 Ratio of solvents (n-octanol:water)        Partition coefficient     Log Pow
 Pow  Mean
       1:1  0.6        0.7        -0.2
 0.6
 0.7
       2:1  0.7        0.7        -0.2
 0.7
 0.6
       4:1  0.6        0.6        -0.2
 0.6
 0.6
 Mean all +- 95% confidence interval    0.6 +- 0.05  -0.2 +- 0.04
 RSD %    3  8

Applicant's summary and conclusion

Conclusions:
In conclusion, the Partition Coefficient in n-octanol buffer solution was determined to be log Pow = -0.2 +- 0.04 (95% confidence interval) (pH 9.23 - 9.42) using shake flask method. The values of the partition coefficient expressed as their common logarithms that were determined using different phase ratios, fall within a range of +- 0.3 log units.