4-(3-methyl-5-oxo-2-pyrazolin-1-yl)benzenesulphonic acid

Partition coefficient

Administrative data

Endpoint:

partition coefficient

Type of information:

experimental study

Adequacy of study:

key study

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

other: According to OECD 107

Data source

Reference

Reference Type:

study report

Title:

Unnamed

Year:

2009

Report date:

2009

Materials and methods

Test guideline

Qualifier:

according to guideline

Guideline:

OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)

Type of method:

shake-flask method to: flask method

Partition coefficient type:

octanol-water

Test material

Test material information

Constituent 1

Reference substance name:

4-(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzene-1-sulfonic acid

EC Number:

201-901-3

Cas Number:

89-36-1

Molecular formula:

C10H10N2O4S

IUPAC Name:

4-(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzene-1-sulfonic acid

Study design

Analytical method:

photometric method

Results and discussion

Partition coefficient

Type:

log Pow

Partition coefficient:

-2.04

Temp.:

23 °C

pH:

ca. 7

Remarks on result:

other: mean

Any other information on results incl. tables

Table 1: Results

no.	stock solution [mL]	n-octanol [mL]	conc. in n-octanol phase [mg/L]	conc. in water phase [mg/L]	Log pow
A1	5	10	4.9	621.2	-2.10
A2	5	10	5.0	623.8	-2.09
B1	10	10	5.7	619.5	-2.04
B2	10	10	5.7	619.5	-2.03
C1	20	10	6.7	620.4	-1.97
C2	20	10	6.3	624.2	-1.99
mean	-	-	-	-	-2.04

Stock solution: 632.7 mg/l