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Description of key information

Phototransformation in air: Rate constant for reaction with OH radicals: 23.6E-12 cm3/molecule.sec (half-life 0.7 days)

Key value for chemical safety assessment

Half-life in air:
0.7 d
Degradation rate constant with OH radicals:
0 cm³ molecule-1 s-1

Additional information

Tetrahydrofurfuryl alcohol contains no chromophores that would absorb visible or UV radiation, so direct photolysis is not likely to be significant. Indirect photolysis resulting from gas-phase reaction with photochemically-produced hydroxyl radicals may occur.

The SRC AOPWIN program (v1.92) (EPA, 2000) has been used to obtain a value of the rate constant for reaction of tetrahydrofurfuryl alcohol with hydroxyl radicals.

This prediction method has not been formally validated in terms of its applicability to tetrahydrofurfuryl alcohol; therefore, there is uncertainty associated with the calculated value obtained. The training set for the AOPWIN program model does include data for furan-type structures, and therefore the result is considered sufficiently reliable for the present purpose.

The predicted rate constant for reaction of tetrahydrofurfuryl alcohol with hydroxyl radicals in air is 23.6E-12 cm3/molecule-sec.

The overall half-life in air under default conditions of hydroxyl radical concentration was calculated using the following expressions:

kdegair (d-1) = kOH (cm3/molecule.sec) x OHConcair (molecules/cm3) x 24 x 3600

DT50 (d) = ln 2/ kdegair (d-1)

Where:

kdegair = total rate constant for degradation in air

kOH = rate constant for reaction with hydroxyl radicals

OHConcair = concentration of hydroxyl radicals in air = 5 x 105 OH molecules/ cm3

DT50 = half-life

The concentration of hydroxyl radicals in air of 5x105 OH molecules/cm3, and the 24 hour photoperiod, are the values specified in ECHA Guidance on Information requirements and chemical safety assessment, Part R.16 Environmental exposure estimation (ECHA, 2012).

This represents a half-life for reaction of tetrahydrofurfuryl alcohol with hydroxyl radicals in air of 0.7 days.

EPA (2000) US Environmental Protection Agency. SRC AOPWIN program (v1.92a September 2010).

ECHA (2012). European Chemicals Agency. Guidance on information requirements and chemical safety assessment Chapter R.16: Environmental Exposure Estimation. Version: 2.1 October 2012. R.16.5.4.3. Photochemical reactions in the atmosphere.