Registration Dossier
Registration Dossier
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EC number: 253-455-4 | CAS number: 37310-83-1
Dissociation constant
Administrative data
Link to relevant study record(s)
Description of key information
The dissociation constant (pKa) of the reaction product of oleyl alcohol with polyphosphoric acid was estimated by means of the on-line calculator SPARC – SPARC Performs Automated Reasoning in Chemistry (v4.6).
Two dissociation constants were determined for the main component oleyl phosphate: pKa1 = 1.11, pKa2 = 6.38 at 25 °C
Three dissociation constants were determined for the component phosphoric acid: pKa1 = 1.75, pKa2 = 6.90, pKa3 = 12.01 at 25 °C
One dissociation constant was determined for the component oleyl alcohol: pKa = 15.75 at 25 °C
Key value for chemical safety assessment
Additional information
The test method for the determination of the dissociation constant of a substance as described in OECD test guideline 112 (adopted May 1981) was replaced by a theoretical based evaluation. The experience in handling and use of the UVCB substance “Reaction product of oleyl alcohol with polyphosphoric acid” showed that the water solubility is extremely low and therefore an experimental determination was not feasible.
The dissociation constant (pKa) of the reaction product of oleyl alcohol with polyphosphoric acid was estimated by means of the on-line calculator SPARC – SPARC Performs Automated Reasoning in Chemistry (v4.6).
Two dissociation constants were determined for the main component oleyl phosphate: pKa1 = 1.11, pKa2 = 6.38 at 25 °C
Three dissociation constants were determined for the component phosphoric acid: pKa1 = 1.75, pKa2 = 6.90, pKa3 = 12.01 at 25 °C
One dissociation constant was determined for the component oleyl alcohol: pKa = 15.75 at 25 °C
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