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EC number: 231-272-0
CAS number: 7473-98-5
The calculated pKa of the test substance
is outside the environmentally relevant pH range (5 -9) and it would
therefore be undissociated under normal conditions.
In this study conducted to generally
accepted scientific standards the test material (EC 231-272-0) was
determined to be undissociated in an environmentally relevant pH range
CAS number: 67 -63 -0
predicted pKa: 17.60 at 25°C
experimental pKa: 17.1 at 25°C
The structural analogue is considered to
fall within the same mechanistic domain of the test substance. The pKa
value for the analogous compound is 17.60. The test substance contains
an electro-withdrawing substituent linked to the aliphatic chain
therefore the test substance is expected to be slightly more acidic than
the analogue, with a consequently lower pKa.
Studies were conducted to generally
recognised scientific standards
The pKa values of test substance were
calculated using the scientific acceptable software programs SPARC v4.2
and ACD/pKa DB.
Both calculated pKa values fall outside
the environmentally relevant pH range (5-9) and they would therefore be
undissociated under normal conditions.
pKa= 15.6 at 25°C (calculated using
pKa= 13.2 at 25°C (calculated using
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