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EC number: 947-079-6 | CAS number: -
Partition coefficient
Administrative data
- Endpoint:
- partition coefficient
- Type of information:
- calculation (if not (Q)SAR)
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- accepted calculation method
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 018
Materials and methods
Test guideline
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
- Version / remarks:
- Calculated as per OECD Guideline 107
- GLP compliance:
- not specified
- Type of method:
- estimation method (solubility ratio)
- Partition coefficient type:
- octanol-water
Test material
- Reference substance name:
- Reaction mass of N-(3-{[(2E)-3-(4-methoxyphenyl)prop-2-enoyl]amino}propyl)-N,N-dimethyldocosan-1-aminium chloride and N-(3-{[(2E)-3-(4-methoxyphenyl)prop-2-enoyl]amino}propyl)-N,N-dimethylicosan-1-aminium chloride
- EC Number:
- 947-079-6
- IUPAC Name:
- Reaction mass of N-(3-{[(2E)-3-(4-methoxyphenyl)prop-2-enoyl]amino}propyl)-N,N-dimethyldocosan-1-aminium chloride and N-(3-{[(2E)-3-(4-methoxyphenyl)prop-2-enoyl]amino}propyl)-N,N-dimethylicosan-1-aminium chloride
- Test material form:
- other: paste
Constituent 1
- Specific details on test material used for the study:
- Product identification: GalHueShield HCS
Batch: GHS-HCS#08
Appearance: Off white pasty solid
Solids, % by mass: 30.38
Results and discussion
Partition coefficientopen allclose all
- Type:
- Pow
- Partition coefficient:
- 75.8
- Temp.:
- 25 °C
- Remarks on result:
- other: calculated result
- Type:
- log Pow
- Partition coefficient:
- 1.88
- Temp.:
- 25 °C
- Remarks on result:
- other: calculation result
Any other information on results incl. tables
Partition coefficient of GalHueShield HCS:
Temperature |
Solubility of GalHueShield HCS in n-octanol |
Solubility of GalHueShield HCS in water |
Partition coefficient (Kow) |
Log Kow |
(°C) |
(kg/kg) |
(kg/kg) |
|
|
25 |
1.38 x 10-2 |
1.82 x 10-4 |
75.8 |
1.88 |
Applicant's summary and conclusion
- Conclusions:
- The calculated partition coefficient (log Kow) of GalHueShield HCS is 1.88 at 25°C
- Executive summary:
GalHueShield HCS has interfacial properties (surface active) hence its partition coefficient (n-octanol/water) was calculated by taking the ratio of individual solubilities in n-octanol and in water, as recommended in OECD Guideline 107.
The calculated partition coefficient (log Kow) of GalHueShield HCS is 1.88 at 25°C
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