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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.

The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.

Diss Factsheets

Administrative data

Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Study period:
2019
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
guideline study with acceptable restrictions

Data source

Reference
Reference Type:
other: unpublished study report
Title:
Unnamed
Year:
2019
Report date:
2019

Materials and methods

Test guideline
Qualifier:
according to guideline
Guideline:
other: OECD Guideline 105 and ETAD method
Principles of method if other than guideline:
The partition coefficient was estimated based on the ratio of the solubilities in n-octanol and in water.
The individual solubilities were determined by the flask method based on OECD Guideline 105 and the ETAD method.
GLP compliance:
no
Type of method:
estimation method (solubility ratio)
Partition coefficient type:
octanol-water

Test material

1
Reference substance name:
Resin acids and Rosin acids, barium salts
EC Number:
269-142-0
EC Name:
Resin acids and Rosin acids, barium salts
Cas Number:
68188-14-7
Molecular formula:
N/A
IUPAC Name:
Resin acids and Rosin acids, barium salts
Test material form:
solid

Study design

Analytical method:
mass spectrometry

Results and discussion

Partition coefficient
Key result
Type:
log Pow
Partition coefficient:
2.46
Temp.:
23 °C
pH:
8.4
Remarks on result:
other: value of the whole substance
Remarks:
pH of water solubility
Details on results:
In the n-octanol test samples the three main component groups of the test item can be detected via UPLC-MS-DAD:
• Abietic Acid, Pimaric Acid and Isomers
• Dehydroabietic Acid
• Oxidation Products
These component groups are detected via DAD (wavelength 240nm) and via ESI-MS detection.
The quantification is performed in the negative ESI-MS mode. The m/z traces are evaluated in sum for each different component group for quantification:

4.5 Results in n-octanol
Each solubility test was measured in triplicate. The n-octanol test samples were diluted 1/100 with DMSO (10μl test solution in 990 μl DMSO), because of the very high concentration in the test samples. This was included in the calculation.
Detection of component group Abietic Acid, Pimaric Acid and Isomers: 117666.7 mg/L
Detection of component group Dehydroabietic Acid: 4760 mg/L
Detection of component group Oxidation Products: 36946.7 mg/L
Sum of the solubility in n-octanol: 159373.3 mg/L

Any other information on results incl. tables

The individual solubility of the test substance in water and in n-octanol without consideration of the solubilities of the oxidation products are as follows:

Solubility in water: 554.5 mg/L at 23°C and at pH 8.4

Solubility in n-Octanol: 159373.3 mg/L at 23°C

Estimation on log Pow value:

Pow= c(n-octanol) / c( water)= 159373.3 mg/L / 554.5 mg/L= 287.418

Log Pow= 2.46

Applicant's summary and conclusion

Conclusions:
The partition coefficient of the test substance was estimated to be log Pow= 2.46 at 23°C.