4,5-dihydro-2-undecyl-1H-imidazole-1-ethanol

Partition coefficient

Administrative data

Endpoint:

partition coefficient

Type of information:

experimental study

Adequacy of study:

key study

Study period:

2014-05-22 to 2014-08-26

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

other:

Remarks:

Study performed according to recognized international guidelines and GLP. No deviation from the guidelines was observed.

Data source

Reference

Reference Type:

study report

Title:

Unnamed

Year:

2014

Report date:

2018

Materials and methods

Test guideline

Test guideline 1

Qualifier:

according to guideline

Guideline:

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

Deviations:

no

Test guideline 2

Qualifier:

according to guideline

Guideline:

EU Method A.8 (Partition Coefficient - Shake Flask Method)

Deviations:

no

Test guideline 3

Qualifier:

according to guideline

Guideline:

EPA OPPTS 830.7550 (Partition Coefficient, n-octanol / H2O, Shake Flask Method)

Deviations:

no

GLP compliance:

yes (incl. QA statement)

Type of method:

flask method

Partition coefficient type:

octanol-water

Test material

Test material information

Constituent 1

Reference substance name:

4,5-dihydro-2-undecyl-1H-imidazole-1-ethanol

EC Number:

205-271-0

EC Name:

4,5-dihydro-2-undecyl-1H-imidazole-1-ethanol

Cas Number:

136-99-2

Molecular formula:

C16H32N2O

IUPAC Name:

4,5-dihydro-2-undecyl-1H-imidazole-1-ethanol

Test material form:

solid: crystalline

Details on test material:

- State of aggregation:
- Particle size distribution:
- Mass median aerodynamic diameter (MMAD):
- Geometric standard deviation (GSD):
- Shape of particles:
- Surface area of particles:
- Crystal structure:
- Coating:
- Surface properties:
- Density:
- Moisture content:
- Residual solvent:
- Activation:
- Stabilisation:
- Other:
SOURCE OF TEST MATERIAL
- Source and lot/batch No.of test material:
- Expiration date of the lot/batch:
- Purity test date:

RADIOLABELLING INFORMATION (if applicable)
- Radiochemical purity:
- Specific activity:
- Locations of the label:
- Expiration date of radiochemical substance:

STABILITY AND STORAGE CONDITIONS OF TEST MATERIAL
- Storage condition of test material: Store in a cool, dry and well ventilated place and away from foodstuffs. In darkness at room temperature.
- Stability under test conditions: Yes
- Solubility and stability of the test substance in the solvent/vehicle: Slighthly soluble in water 33.9 mg/L
- Reactivity of the test substance with the solvent/vehicle of the cell culture medium: Reacts with strong acids

TREATMENT OF TEST MATERIAL PRIOR TO TESTING
- Treatment of test material prior to testing:
- Preliminary purification step (if any): None
- Final dilution of a dissolved solid, stock liquid or gel: N/A
- Final preparation of a solid:

FORM AS APPLIED IN THE TEST (if different from that of starting material)

Remark: Environmental precautions: Do not allow to enter drains or waterways.
Do not discharge into the subsoil/soil

Specific details on test material used for the study:

SOURCE OF TEST MATERIAL
- Source and lot/batch No.of test material: NIPPONT AUTOMOTIVE COATINGS Co. Ltd.
- Expiration date of the lot/batch: 5C12AA
- Purity test date: 96%STABILITY AND STORAGE CONDITIONS OF TEST MATERIAL
- Storage condition of test material: In darkness at room temperature
- Solubility and stability of the test substance in the solvent/vehicle:
SOLUBILITY IN WATER(20℃) ： Dispersible in water.
SOLVENT SOLUBILITY ： Soluble in MeOH,EtOH,Xylene,Toluene
- Stability under test conditions:
STABILITY ：Stable under normal temperature and pressure.
CONDITION TO AVOID ：May burn but does not ignite readily.Flammable poisonous
gases may accumulate in tanks and hopper cars.
May ignite combustible (wood,paper,oil,etc.).
INCOMPATABILITIES ：OXIDIZERS(STRONG)- Fire and explosion hazard.
HAZARDOUS ：Thermal decomposition products may include toxic oxides
DECOMPOSITION of carbon and nitrogen.
POLYMERIZATION ：Hazardous polymerization has not been reported to
occur under normal temperatures and pressures.

TREATMENT OF TEST MATERIAL PRIOR TO TESTING: According to the requirements of the Guideline

FORM AS APPLIED IN THE TEST (if different from that of starting material)Not different from the form applied of starting material.

Study design

Analytical method:

liquid chromatography

mass spectrometry

Results and discussion

Partition coefficient

Key result

Type:

log Pow

Partition coefficient:

>= 1.85

Temp.:

20.1 °C

pH:

>= 2

Remarks on result:

other:

Remarks:

Flask method

Details on results:

According to this study the logarithmic partition coefficient (n-octanol/water) of the test item was determined to be log Pow 1.85 using the shake flask method at 20 ± 1 °C.

Any other information on results incl. tables

Partition coefficient

Key result	Type	Partition coefficient	Temp.	pH	Remarks
Yes	LogPow	>=1.85	20.1°C	>=2	Flask method

Applicant's summary and conclusion

Conclusions:

The logarithmic partition coefficient (n-octanol/water) of the test item was determined to be log Pow 1.85 using the shake flask method at 20 ± 1 °C.

Executive summary:

The n-octanol/water partition coefficient of the test item was measured with the Shake Flask method according to OECD 107, EU A.8, OPPTS 830.7550 and GLP. No deviation from the guideline was observed during the study.

The logarithmic partition coefficient (n-octanol/water) of the test item was determined to be log Pow 1.85 using the shake flask method at 20 ± 1 °C.