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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.

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Diss Factsheets

Physical & Chemical properties

Partition coefficient

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Administrative data

Link to relevant study record(s)

Reference
Endpoint:
partition coefficient
Type of information:
calculation (if not (Q)SAR)
Adequacy of study:
key study
Study period:
From October 17, 2017 to October 17, 2017
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
test procedure in accordance with generally accepted scientific standards and described in sufficient detail
Reason / purpose for cross-reference:
reference to same study
Reason / purpose for cross-reference:
reference to same study
Qualifier:
according to guideline
Guideline:
OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
Version / remarks:
Calculated from individual solubilities in water and n-octanol, as the test substance is surface active
Qualifier:
according to guideline
Guideline:
EU Method A.8 (Partition Coefficient - HPLC Method)
Version / remarks:
Calculated from individual solubilities in water and n-octanol, as the test substance is surface active
GLP compliance:
not specified
Type of method:
estimation method (solubility ratio)
Partition coefficient type:
octanol-water
Specific details on test material used for the study:
Identity: Benzyldimethyl(octadecyl)ammonium chloride
Batch no: 14217
Appearance: White to off white solid
Composition: Benzyldimethyl(octadecyl)ammonium chloride
Content: Cationic activity 97.6%
Expiry date: 06/2019
Storage conditions: Room temperature, in dark, in closed vessel
Analytical method:
other: Not applicable
Key result
Type:
log Pow
Partition coefficient:
ca. 3.89
Temp.:
20 °C
Remarks on result:
other: Calculation method based on solubility ratio

Result

The octanol solubility and water solubility were determined to 133 -160 g/L (160 g/L considered for calculation) and 20.8 mg/L respectively, in earlier studies.

Pow = Octanol solubility/Water solubility = log 160000/20.8 = 7692

The Log Pow for C18 ADBAC was determined to be 3.89

Conclusions:
Under study conditions, the partition coefficient of the test substance, C18 ADBAC, was determined to be 3.89.
Executive summary:

The partition coefficient of the test substance, C18 ADBAC, was determined, according to the calculation method (based on ratio of solubility in n-octanol and water) specified in OECD Guideline 107 and EU Method A.8. The n-octanol solubility and water solubility were determined to 133-160 g/L (160 g/L was considered for calculation, as worst case) and 20.8 mg/L in the respective studies. Under study conditions, the partition coefficient (log Pow) of the test substance, C18 ADBAC, was determined to be 3.89 (Wennenwetsch, 2018).

Description of key information

The partition coefficient of the test substance was determined, according to the calculation method (based on ratio of solubility in n-octanol and water) specified in OECD Guideline 107 and EU Method A.8 (Wannenwetsch, 2018)

Key value for chemical safety assessment

Log Kow (Log Pow):
3.89
at the temperature of:
20 °C

Additional information

(calculated based on solubility ratio)