Registration Dossier
Registration Dossier
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EC number: 700-757-3 | CAS number: -
Vapour pressure
Administrative data
Link to relevant study record(s)
Description of key information
The vapor pressure of the most volatile constituent of CAS# 1227866-76-5 is 0.00502 Pa at 25 °C (gas saturation method)
Key value for chemical safety assessment
Additional information
The key study was conducted in accordance with EU Method A.4 and OECD TG 104 and is GLP compliant. The measurement of low vapor pressures is technically difficult, and methods recommended at <0.01 Pa. However, the analytical approach used in this study assumes constant instrument response for all constituents of the test substance, and that the sum of all peak areas for all constituents in the calibration chromatograms are equivalent to the peak area of the single constituent found in the test sample chromatograms. Further, the identity and molecular weight of the volatile constituent were not established; errors in molecular weight potentially lead to an error of ca 30% in the vapor pressure calculation. Therefore, this study is considered reliable with restrictions. The lowest molecular weight, least polar constituent of the test substance was assumed to be the volatile component detected in the key study. In the supporting study, this constituent was modeled in a QSAR resulting in an estimated vapor pressure of 0.0639 Pa at 25 °C. According to the composition of several lots of the tested material, the mole fraction of the volatile constituent was ca. 0.11 ± 0.01. By Raoult's Law, the vapor pressure of a volatile chemical in a mixture with non-volatile chemicals is less than the vapor pressure of the pure volatile chemical. The net vapor pressure is proportional to the the volatile chemical's mole fraction. Given an average mole fraction of 0.11, the modeled pure chemical vapor pressure of 0.0639 Pa would lead to 0.0069 Pa in an average mixture, which is in good agreement with the measured value. This QSAR result is considered reliable with restrictions and provides support for the key study result.
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