Registration Dossier
Registration Dossier
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EC number: 212-602-2 | CAS number: 831-51-6
Partition coefficient
Administrative data
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 2015
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 015
- Report date:
- 2015
Materials and methods
Test guideline
- Qualifier:
- according 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
- Partition coefficient type:
- octanol-water
Test material
- Reference substance name:
- 3-amino-2-hydroxy-5-nitrobenzoic acid
- EC Number:
- 212-602-2
- Cas Number:
- 831-51-6
- Molecular formula:
- C7H6N2O5
- IUPAC Name:
- 3-amino-2-hydroxy-5-nitrobenzoic acid
- Test material form:
- solid: particulate/powder
Constituent 1
Study design
- Analytical method:
- high-performance liquid chromatography
Results and discussion
Partition coefficient
- Type:
- log Pow
- Partition coefficient:
- 0.76
- Temp.:
- 23 °C
- pH:
- > 4.3 - < 7.4
Any other information on results incl. tables
Determination stock solution water test substance test substance LogPow
No [ml] [ml] conc. in octanol conc. in water
[mg/L] [mg/L]
A1 5 10 219.0 46.1 0.68
A2 5 10 221.8 45.9 0.68
B1 10 10 246.5 49.9 0.69
B2 10 10 251.6 46.1 0.74
C1 20 10 295.2 38.0 0.89
C2 20 10 295.3 39.3 0.88
mean 0.76
HPLC conditions:
Column : Ascentis Phenyl Hexyl 150 mm x 4,6 mm ID, 2,7 μm,
Eluent A : water/acetonitrile 97/3 + 2ml/l phosphoric acid
Eluent B : acetonitrile
Gradient : 0 min 10 % B
: 2 min 10 % B
: 17 min 100 % B
: 20 min 100 % B
:20.1 min 10% B
Flow rate : 1.2 ml/min
Temperature : 23 °C
Detector : UV, 210 nm Inj. Volume : 1 μl
Recovery rate: 91 - 97%
Applicant's summary and conclusion
- Conclusions:
- The Log Pow of the substance is 0.76 at 23°C.
- Executive summary:
The Partition Coefficient n-octanol/water of the substance was determined according to OECD 107 with the shake flask method and was found to be 0.76 at 23°C.
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