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EC number: 211-989-5
CAS number: 732-26-3
The test material was determined to have a melting point of 131 °C (404 K).
Three studies are provided to address this endpoint, one key and two
In the key study, the melting point of the test material was
investigated in a study which was performed under GLP conditions and in
accordance with the standardised guidelines OECD 102, EU Method A.1 and
US EPA OPPTS 830.7200. The study has been awarded a reliability score of
1 in accordance with the criteria set forth by Klimisch et al. (1997).
The melting point of the test material was investigated using
Differential Scanning Calorimetry (DSC). The result was calculated as
the mean from three readings, obtained from separate experiments.
Under the conditions of the study, the melting point of the test
material was determined to be 131 °C (404 K) at an atmospheric pressure
of 1012 ± 1 hPa.
Both of the supporting studies were awarded a reliability score of 4 in
accordance with the criteria set forth by Klimisch et al. (1997).
In first supporting study, the melting point of the test material was
quoted in a paper which discusses the physical properties of alkylated
phenols. No details relating to how the data was obtained are included
in the reference.
Under the conditions of this study the test material was determined to
have a melting point of 131 °C.
In the second supporting study the melting point of the test material
was estimated using the MPBPWIN model v1.43 (EPI Suite v4.11). The
MPBPWIN model estimates the melting point by two different methods. The
first is an adaptation of the Joback group contribution method for
melting point (Joback, 1982; Reid et al.; 1987) and the second is a
simple Gold and Ogle method suggested by Lyman (1985). Sufficient
information on the model training set is available to evaluate the
applicability of the model to this substance and the molecular weight of
the test material is within the training set range; however estimated
melting points from MPBPWIN can only be recommended for screening
The melting point was calculated to be 104.33 °C (Weighted MP).
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