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EC number: 413-800-3 | CAS number: 87787-81-3 STEPAN TAB -2
- Life Cycle description
- Uses advised against
- Endpoint summary
- Appearance / physical state / colour
- Melting point / freezing point
- Boiling point
- Density
- Particle size distribution (Granulometry)
- Vapour pressure
- Partition coefficient
- Water solubility
- Solubility in organic solvents / fat solubility
- Surface tension
- Flash point
- Auto flammability
- Flammability
- Explosiveness
- Oxidising properties
- Oxidation reduction potential
- Stability in organic solvents and identity of relevant degradation products
- Storage stability and reactivity towards container material
- Stability: thermal, sunlight, metals
- pH
- Dissociation constant
- Viscosity
- Additional physico-chemical information
- Additional physico-chemical properties of nanomaterials
- Nanomaterial agglomeration / aggregation
- Nanomaterial crystalline phase
- Nanomaterial crystallite and grain size
- Nanomaterial aspect ratio / shape
- Nanomaterial specific surface area
- Nanomaterial Zeta potential
- Nanomaterial surface chemistry
- Nanomaterial dustiness
- Nanomaterial porosity
- Nanomaterial pour density
- Nanomaterial photocatalytic activity
- Nanomaterial radical formation potential
- Nanomaterial catalytic activity
- Endpoint summary
- Stability
- Biodegradation
- Bioaccumulation
- Transport and distribution
- Environmental data
- Additional information on environmental fate and behaviour
- Ecotoxicological Summary
- Aquatic toxicity
- Endpoint summary
- Short-term toxicity to fish
- Long-term toxicity to fish
- Short-term toxicity to aquatic invertebrates
- Long-term toxicity to aquatic invertebrates
- Toxicity to aquatic algae and cyanobacteria
- Toxicity to aquatic plants other than algae
- Toxicity to microorganisms
- Endocrine disrupter testing in aquatic vertebrates – in vivo
- Toxicity to other aquatic organisms
- Sediment toxicity
- Terrestrial toxicity
- Biological effects monitoring
- Biotransformation and kinetics
- Additional ecotoxological information
- Toxicological Summary
- Toxicokinetics, metabolism and distribution
- Acute Toxicity
- Irritation / corrosion
- Sensitisation
- Repeated dose toxicity
- Genetic toxicity
- Carcinogenicity
- Toxicity to reproduction
- Specific investigations
- Exposure related observations in humans
- Toxic effects on livestock and pets
- Additional toxicological data
Partition coefficient
Administrative data
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 1991
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- other: Study was conducted according to a current approved guideline and following good laboratory practices.
Cross-reference
- Reason / purpose for cross-reference:
- reference to other study
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 1 991
- Report date:
- 1992
Materials and methods
Test guideline
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
- Deviations:
- no
- GLP compliance:
- yes
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
Test material
- Reference substance name:
- 87787-81-3
- EC Number:
- 618-070-1
- Cas Number:
- 87787-81-3
- IUPAC Name:
- 87787-81-3
- Reference substance name:
- A mixture of: N,N-di(hydrogenated alkyl C14-C18)phthalamic acid; dihydrogenated alkyl (C14-C18)amine
- EC Number:
- 413-800-3
- EC Name:
- A mixture of: N,N-di(hydrogenated alkyl C14-C18)phthalamic acid; dihydrogenated alkyl (C14-C18)amine
- Cas Number:
- 87787-81-3
- Molecular formula:
- C44H79NO3
- IUPAC Name:
- 2-(dioctadecylcarbamoyl)benzoic acid; 2-(ditetradecylcarbamoyl)benzoic acid; 2-[(propan-2-yloxy)carbonyl]benzoic acid; 2-[octadecyl(tetradecyl)carbamoyl]benzoic acid; 2-octadecyl-2,3-dihydro-1H-isoindole-1,3-dione; 2-tetradecyl-2,3-dihydro-1H-isoindole-1,3-dione; benzene-1,2-dicarboxylic acid; dioctadecylamine; ditetradecylamine; octadecyl(tetradecyl)amine
- Reference substance name:
- reaction mass of: N,N-di(hydrogenated alkyl C14-C18)phthalamic acid dihydrogenated alkyl (C14-C18)amine
- IUPAC Name:
- reaction mass of: N,N-di(hydrogenated alkyl C14-C18)phthalamic acid dihydrogenated alkyl (C14-C18)amine
- Reference substance name:
- Stepan TAB-2
- IUPAC Name:
- Stepan TAB-2
- Details on test material:
- Test substance was treated as 100% pure. Test substance is stable at 50 deg C and Stored at room temperature in the dark. Expiry date April 30, 1992. Test substance batch number: 198308.
Constituent 1
Constituent 2
Constituent 3
Constituent 4
Study design
- Analytical method:
- high-performance liquid chromatography
Results and discussion
Partition coefficient
- Type:
- log Pow
- Partition coefficient:
- > 6.2
- Temp.:
- 50.5 °C
- pH:
- 3
- Details on results:
- See Text below.
Any other information on results incl. tables
During the preliminary test the solubility of Stepan TAB-2 in octanol was estimated to be 2.6 x E+002 g/l (mean of all measurements). No significant differences were observed between the concentrations analysed after the second and third centrifugation step. The solubility of Stepan TAB-2 in water was determined to be <1 x E-003 g/l (see RCC NOTOX Project 058883). Hence the partition coefficient (Pow) resulting from the preliminary test was estimated to be >2.6 x E+005 and the log Pow >5.4 at room temperature.
In the HPLC chromatograms of Stepan TAB-2, using UV detection at λ=210 nm, seven large and several small peaks were observed. It was assumed that the large peaks derived from major components of the test substance, whereas the small peaks derived from impurities. No Pow values were calculated for the impurities. The large peak observed at approximately 3.2 minutes was proven not to be derived from the test substance.
The retention time of the unretarded component (i.e., formamide; to) was determined to be 2.27 minutes as a mean value of both measurements. The retention time of the first peak was below to. The retention time of the second peak was between to and the retention time of the reference substance with the lowest log Pos value (i.e., methylethylketone; Log Pow = 0.3). The retention times of the remaining five peaks were far beyond the retention time of the reference substance with the largest log Pow value (i.e., 2,4 -DDT; log Pow = 6.2). The mean values of the retention times, k’ values, log k; values and log Pow values are tabulated in the study report.
A correlation plot of log Pow (x-value) versus log k’ (y-value) for the appropriate reference substances was constructed by means of a linear regression program. The equation of the resulting line was:
Y = 0.179 x – 0.849 (r=0.980, n=6)
The Pow values for the components of Stepan TAB-2 detectable with the chromatographic system used were determined to be <1.0 (Log Pow<0) and 1.0<Pow<2.0 (0< log Pow<0.3) for the first and second peak respectively. The Pow values for the third, fourth, fifth, sixth and seventh components were determined to be > 1.6x E+006 (log Pow >6.2).
The temperature of the mobile phase was 50.4-50.6 °C during the measurements.
Applicant's summary and conclusion
- Conclusions:
- The partition coefficient of Stepan TAB-2 was determined to be Log Pow >6.2.
- Executive summary:
The partition coefficient of Stepan TAB-2 was determined by the HPLC method following OECD Guideline 117. HPLC of Stepan TAB-2 indicates that the test substance consists of several components, which give rise to several chromatographic peaks. The partition coefficient of Stepan TAB-2 was determined to be Log Pow >6.2, based on the retention times of the five peaks beyond the retention times of the reference substance with the largest Log Pow value (2,4 -DDT; log Pow = 6.2).
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