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Physical & Chemical properties

Partition coefficient

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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:
2018

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

Constituent 1
Chemical structure
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
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