Registration Dossier

Data platform availability banner - registered substances factsheets

Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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
Reliability:
1 (reliable without restriction)

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2011
Report date:
2011

Materials and methods

Test guideline
Qualifier:
according to guideline
Guideline:
EU Method A.8 (Partition Coefficient)
GLP compliance:
yes
Type of method:
shake-flask method to: flask method
Partition coefficient type:
octanol-water

Test material

Constituent 1
Chemical structure
Reference substance name:
tetrapotassium 5-{5-amino-4-[(1E)-2-(5-{[2-({5-[(1E)-2-[5-amino-3-tert-butyl-1-(3,5-dicarboxylatophenyl)-1H-pyrazol-4-yl]diazen-1-yl]-1,3,4-thiadiazol-2-yl}sulfanyl)ethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)diazen-1-yl]-3-tert-butyl-1H-pyrazol-1-yl}benzene-1,3-dicarboxylate
EC Number:
700-616-6
Cas Number:
849608-59-9
Molecular formula:
C36H32K4N14O8S4
IUPAC Name:
tetrapotassium 5-{5-amino-4-[(1E)-2-(5-{[2-({5-[(1E)-2-[5-amino-3-tert-butyl-1-(3,5-dicarboxylatophenyl)-1H-pyrazol-4-yl]diazen-1-yl]-1,3,4-thiadiazol-2-yl}sulfanyl)ethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)diazen-1-yl]-3-tert-butyl-1H-pyrazol-1-yl}benzene-1,3-dicarboxylate

Results and discussion

Partition coefficient
Type:
log Pow
Partition coefficient:
< -2.7
Temp.:
25 °C
pH:
ca. 7

Any other information on results incl. tables

   Test 1 Test2 Test 3   Test 4  Test 5  Test 6
 Weightof sample (mg)  149.22  149.22  99.48  99.48  24.87  24.87
 Volume n-Octanol saturated water (ml)  18  18  24  24  12  12
 Volume water staurated n-Octaniol (ml)  18  18  12  12  24  24
 Dilution of n-Octanol layers (ml)  3.33333  3.33333  3.33333  3.33333  3.33333  3.33333
 Concentration in n-Octanol phase (mg/l)Detection limit  2.497  2.612  2.727  2.975  1.861  1.629
 Concentration in n-Octanol phase allowing for dilution  8.323  8.707  9.09  9.917  6.203  5.43
 Number of mg in n-Octanol phase  0.150  0.157  0.109  0.119  0.149  0.130
 Dilution of water layers (mls)  1000  1000  500  500  250  250
 Concentration in water phase (mg/L)  8.684  8.725  8.289  8.067  8.776  8.672
Concentration in water phase (mg/L) alowing for dilution  8684  8725  4144.5  4033.5  2194  2168
 Number of mg in water phase  156.3  157.1  99.5  96.8  26.3  26.0
 Number of mg recovered  156.5  157.2  99.6  96.9  26.5  26.1
 P= conc in n-octanol/conc in water  0.000960  0.00100  0.00219  0.00246  0.00283  0.00250
 Log P  -3.018  -3.00  -2.660  -2.609  -2.548  -2.602
 pH of aqueous phase  7.53  7.52  7.27  7.38  7.32  7.18

Applicant's summary and conclusion