Registration Dossier
Registration Dossier
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EC number: 207-975-3 | CAS number: 503-74-2
Endpoint summary
Administrative data
Description of key information
Additional information
Adsorption/Desorption
In accordance with column 2 of REACH Annex VIII Nr 9.3.1, the study does not need to be conducted as the substance has a low potential for adsorption (log Kow < 3, see Sect. 4.7) and is readily biodegradable (see Sect. 5.2.1).
Based on a calculated Koc of 4.022 (log Koc = 0.6045), isovaleric acid is expected to have a high mobility in soil (GUBDH, 2012).
Henry’s Law constant
Henry's law constants (HLC) of isovaleric acid at 25°C were determined by an experimental method (Khan, 1992; equilibrium partial pressure measurements over aqueous solutions) and by calculation methods (GUBDH,2012; program HENRYWIN v 3.2, US EPA EPISuite 4.10).
Experimental value: HLC (25°C) = 8.333E-7 atm m³/mol
Calculated Value:
Bond contribution method: HLC (25°C) = 1.28E-006 atm m³/mole
Group contribution method: HLC (25°C) = 9.96E-007 atm m³/mole
Isovaleric acid volatilizes only to a low degree from water.
Distribution modelling
Estimates obtained from Level III fugacity distribution modelling using US EPA EPI Suite v4.10, model component Level III fugacity model, indicate that emissions of isovaleric acid will distribute predominantly in soil (57%) and water (37.6%), and to a considerably lesser extent in air (5.3%). The fraction in sediment is minimal (0.07%). The estimated persistence time is 282 hr (GUBDH, 2012).
Other distribution data
Volatilization from Water
With an experimental Henry's Law Constant (HLC) of 8.333E-7 atm m³/mol at 25 °C for isovaleric acid, volatilization half-lives of 29.6 and 327 days were estimated for a model river and a model lake, respectively.
In the environment, isovaleric acid will be predominantly distributed in soil and to a lesser extend in water. Transfer to air will be minute.
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