Registration Dossier
Registration Dossier
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EC number: 201-070-7 | CAS number: 77-93-0
Endpoint summary
Administrative data
Description of key information
Additional information
Soil adsorption
Due to the low soil adsorption potential of triethyl citrate (TEC) and in accordance with REACH, Annex VIII, Section 9.3.1, Column 2, a study to investigate this property does not need to be conducted, since the substance specific logPow was found to be 1.17 (Villa, 2011).
For completeness, the organic carbon coefficient (Koc) was predicted with the help of the computer program KOCWIN v2.00 (by US-EPA). Two models are used: the Sabljic molecular connectivity (MCI) method and the traditional method (based on logPow). The MCI method is taken more seriously into account, due to the fact that it includes improved correction factors, resulting in a Koc value of 21.02 L/kg for the chemical compound. The traditional method gives a value of 10.71 L/kg, whereby the experimentally determined logPow is taken into account.
Henry`s Law constant
The Henry's Law Constant was calculated with the computer program HENRYWIN (v3.20) made available by the U.S. Environmental Protection Agency. This program estimates the Henry's Law Constant of organic compounds at 25°C by two separate methods that yield two separate estimates. The first method is the Bond Contribution Method and the second is the Group Contribution Method. Both the Group Method and Bond Method are susceptible to estimates resulting in "Missing Fragments". When a compound is split into groups or bonds, one or more of the resulting groups or bonds may not have a value in the library of available values. The Group Method is much more likely to have a "Missing Fragment" occurrence (meaning an HLC estimate is not possible), as in this case: The Group Method showed an “incomplete Result”, using the Bond Method a Henry´s Law Constant of 6.48 E-005 Pa*m3*mol-1 was calculated for the substance triethyl citrate at 25 °C.
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