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EC number: 695-243-8 | CAS number: 500731-87-3
- 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:
- June 2012
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: Study conducted in accordance with generally accepted scientific principles, possibly with incomplete or methodological deficiencies, which do not affect the quality of relevant results.
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 012
- Report date:
- 2012
Materials and methods
Test guideline
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
- Deviations:
- no
- GLP compliance:
- not specified
- Type of method:
- shake-flask method to: flask method
- Partition coefficient type:
- octanol-water
Test material
- Reference substance name:
- 2-hydroxy-3-({3-[(2E)-3-(4-methoxyphenyl)prop-2-enamido]propyl}dimethylazaniumyl)propane-1-sulfonate
- EC Number:
- 695-243-8
- Cas Number:
- 500731-87-3
- Molecular formula:
- C18H28N2O6S
- IUPAC Name:
- 2-hydroxy-3-({3-[(2E)-3-(4-methoxyphenyl)prop-2-enamido]propyl}dimethylazaniumyl)propane-1-sulfonate
- Test material form:
- other: Liquid
- Details on test material:
- Chemical name: 3-(N-p-methoxy cinnamidopropyl-N,N-dimethyl ammonium)-2-hydroxypropane-1-sulphonate
INCI name: Methoxycinnamidopropyl Hydroxysultaine
Product Code (supplier): Galaxy SunBeat
CAS number: 500731-87-3
Molecular Weight: 400 g/mol
Molecular Formula: C18 H28 O6 N2 S
E1%1cm at 306 nm in water: 245-290
Constituent 1
Study design
- Analytical method:
- high-performance liquid chromatography
Results and discussion
Partition coefficient
- Type:
- log Pow
- Partition coefficient:
- -0.982
- Temp.:
- 25 °C
- pH:
- >= 6.5 - <= 6.6
Any other information on results incl. tables
Calculations:
Refer to retention times of standard solution of Galaxy SunBeat to identify peaks in the test solution chromatogram.
Calculate concentration of test solution by using the equation below:
CTest= CstdX (ATest/ Astd)
Where:
CTest is concentration of test solution
Cstd is concentration of standard solution
ATest is area under Galaxy SunBeat peak of test solution
Astdis area under Galaxy SunBeat peak of standard solution
Calculate partition coefficient by using below equation:
KOW = Cn-octanol/Cwater
Where: KOWis partition Coefficient
Cn-octanol is concentration of n-octanol
Cwater is concentration of aqueous layer
Experimental Data:
Sr. No. |
Volume of n-octanol |
Volume of water |
Galaxy SunBeat after partitioning at 25 °C |
pH of aqueous layer |
KOW |
logKOW |
|
|
(mL) |
(mL) |
n-octanol layer (M) |
Aqueous layer (M) |
|
|
|
1 |
100 |
50 |
0.00044 |
0.00418 |
6.5 |
0.106 |
-0.975 |
2 |
100 |
50 |
0.00043 |
0.00413 |
6.6 |
0.104 |
-0.984 |
3 |
100 |
100 |
0.00047 |
0.00457 |
6.5 |
0.103 |
-0.986 |
4 |
100 |
100 |
0.00048 |
0.00471 |
6.6 |
0.102 |
-0.990 |
5 |
100 |
200 |
0.00050 |
0.00479 |
6.5 |
0.104 |
-0.984 |
6 |
100 |
200 |
0.00050 |
0.00465 |
6.6 |
0.107 |
-0.969 |
|
|
|
|
|
Average |
0.104 |
-0.982 |
Applicant's summary and conclusion
- Conclusions:
- Partition coefficient (n-octanol/water) log Kow of Galaxy SunBeat is -0.982 at 25 °C.
- Executive summary:
Partition coefficient (n-octanol/water) of Galaxy SunBeat was determined as per OECD guidelines for the testing of chemicals, No. 107. A known amount of Galaxy SunBeat was allowed to partition between n-octanol and water by shaking the sample tube for five minutes (approx. 100 times during 5 mins.) at 25 ± 1°C. Two phases were then separated and analysed by HPLC. Partition coefficient, log Kow of Galaxy SunBeat is -0.982 at 25°C.
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