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
Screening test for environmental fate and pathways were conducted for triethyl citrate. Experimental results are available for biodegradation in water (Feil, 2010) and soil (Farrell, 2000), concluding that the substance is readily biodegradable. In consequence, no simulation test for biodegradation in water and sediment has to be conducted (in accordance with REACH, Annex IX, Section 9.2.1.2, Column 2) as well as the determination of hydrolysis of the substance is not necessary (in accordance with REACH, Annex VIII, Section 9.2.2.1, Column 2).
The QSAR software BCFBAF v3.01 predicts the BCF for the substance as 2.75 L/kg wet-wt, based on the LogPow. A BCF of 2.48 L/kg wet wt is predicted, based on mechanistic first principles (Arnot-Gobas method).
The substance specific partition coefficient (LogPow) was determined by the High Performance Liquid Chromatography (HPLC) method according to OECD Guideline 117 (Villa, 2011), resulting in a value of 1.17 and leading to the waiving of an experiment regarding soil adsorption in accordance with REACH regulation (Annex VIII, Section 9.3.1, Column 2). However, the organic-normalized sorption coefficient for soil (Koc) can be predicted with computer software, developed by US-EPA. The Koc was predicted with KOCWIN v2.00, using two different methods: the Sabljic molecular connectivity (MCI) method, resulting in a value of 21.02 L/kg and the traditional method, giving a Koc value of 10.71 L/kg. For the chemical safety assessment, the result of the MCI method is taken into account. These values reinforce the indicated very weak binding potential of the test substance to soil particles. Another QSAR prediction was performed for triethyl citrate regarding phototransformation in air, resulting in an overall gas-phase reaction constant of 7.33 E-12 cm³/molecules-sec (= 0.63 m³/molecules-day), with an half-life of 1.46 d (17.52 h) by assuming a 12 h day with an OH rate constant of 1.5E6 OH/cm³ and 25 °C. The Henry's Law Constant was calculated with the US-EPA computer program HENRYWIN (v3.20) to be 6.48 E-005 Pa*m3*mol-1 at 25°C.Due to the rapid biodegradation, no monitoring data or field study results are available for triethyl citrate. These types of experiments are also not mandatory under REACH.
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