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EC number: 219-941-5
CAS number: 2579-20-6
The test substance partition coefficient was calculated from the test
substance concentrations in the aqueous layer and 1-octanol layer using
the following equation: Cw Log Pow = log Co Co: the test substance
concentration in the 1-octanol layer (mg/L) Cw: the test substance
concentration in the aqueous layer (mg/L) Calculated partition
coefficients (Pow) were rounded off to 3 significant figures, while
logarithms of partition coefficients (log Pow) were rounded off to the
2nd decimal place.
Because the test substance was a dissociative substance (dissociation
constant: 10.53), its partition coefficient was determined using a
buffered solution as solvent in the form of a non-dissociative substance
Partition coefficients and pH values of the aqueous layer were as
follows: 4.1 Partition coefficients found
Determination condition 1
0.69 SD=0.024 Max difference=0.07
Determination condition 2
Determination condition 3
0.73 SD=0.027, Max difference 0.07
pH value found
The present study was conducted in order to obtain information on the
1-octanol/water partition coefficient of 1,3
-bis(Aminomethyl)Cyclohexane. The study was conducted in accordance with
"Partition Coefficient (n-octanol/water: Shake Flask Method (Guideline
107, July 27, 1995)" in the "OECD Guideline for Testing of Chemicals".
Two peaks were determined by the HPLC method used to quantify the test
material; on review of the test material structure it was concluded that
two peaks relate to the two isomers (cis- and trans-) of the test
Peak A Mean Value (log Pow) 0.69 and Peak B Mean Value found (log Pow)
Approximate solubility in n-octanol>51% w/w
Approximate solubility in water >52% w/w
Mean log Pow of 1,3-Bis(aminomethyl)cyclohexane at 21.5±0.5°C = 0.783.
Determination of the partition coefficient of 1,3
-Bis(aminomethyl)cyclohexane was determined in two laboratories.
A determination performed in 2000 by the Shake-flask method (OECD test
guideline 107) using GC to quantify the test material concluded that the
partition coefficient was 6.07 at a temperature of 21.5±0.5°C, with a
log Pow = 0.783.
A further determination in 2002 was also performed according to OECD
test guideline 107, but using HPLC to determine the test material
concentrations concluded that the log Pow
was 0.69 for the first peak, and 0.73 for a second test material peak at
a temperature of 24.7°C.
It was concluded that the two peaks determined in the HPLC studies
relate to the two isomers of the test material. These isomers were not
resolved by the GC method.
On the basis of slightly better study documentation, the 2000 study was
selected as the key study, and the result from that determination will
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