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EC number: 202-549-3 | CAS number: 96-98-0
Partition coefficient
Administrative data
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 2013
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- other: well performed OECD study
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 013
- Report date:
- 2013
Materials and methods
Test guideline
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
- Deviations:
- not specified
- GLP compliance:
- no
- Type of method:
- shake-flask method to: flask method
- Partition coefficient type:
- octanol-water
Test material
- Reference substance name:
- 3-nitro-p-toluic acid
- EC Number:
- 202-549-3
- EC Name:
- 3-nitro-p-toluic acid
- Cas Number:
- 96-98-0
- Molecular formula:
- C8H7NO4
- IUPAC Name:
- 4-methyl-3-nitrobenzoic acid
- Details on test material:
- Purity: 98.0 %
Constituent 1
Study design
- Analytical method:
- photometric method
Results and discussion
Partition coefficient
- Type:
- log Pow
- Partition coefficient:
- 1.65
- Temp.:
- 23 °C
- pH:
- > 6.3 - < 6.7
- Details on results:
- determ. no. stock solution water test substance test substance log Pow
conc. in n- conc. in water
octanol phase phase
[ml] [ml] [mg/l] [mg/l]
A1 5 10 764.7 16.6 1.66
A2 5 10 766.3 16.6 1.66
B1 10 10 769.9 16.4 1.67
B2 10 10 765.3 17.2 1.65
C1 20 10 771.1 18.0 1.63
C2 20 10 762.0 18.2 1.62
mean 1.65
Applicant's summary and conclusion
- Conclusions:
- Log Pow was found to be 1.65 at 23°C
- Executive summary:
The partition coefficient n-octanol/water of the substance was determined according to OECD guideline 107 (shake flask method).
Log Pow was found to be 1.65 at 23°C.
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