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Physical & Chemical properties

Melting point / freezing point

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Administrative data

Link to relevant study record(s)

Reference
Endpoint:
melting point/freezing point
Type of information:
experimental study
Adequacy of study:
key study
Study period:
5. - 10. Oct. 2016
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Qualifier:
according to guideline
Guideline:
OECD Guideline 102 (Melting point / Melting Range)
Version / remarks:
1995
Deviations:
no
Qualifier:
according to guideline
Guideline:
EU Method A.1 (Melting / Freezing Temperature)
Version / remarks:
2008
Deviations:
no
GLP compliance:
yes (incl. QA statement)
Type of method:
capillary method
Specific details on test material used for the study:
Name: ROC-601
Batch no.: S23PSG0816
Appearance: white crystalline powder
Composition: 99.5% purity, see analytical certificate page 12
CAS No.: 439661-46-8
EINECS-No.: not yet assigned
Molecular formula: C20H26O5
Molecular weight: 346.42 g/mol
Purity: 99.5% by LC-UV
Homogeneity: uniform crystalline powder
Production date: 29. June 2016
Expiry date: July 2017
Storage: Room Temperature (20 ± 5 °C), keep away from light
Key result
Melting / freezing pt.:
>= 51.7 - <= 52.8 °C
Atm. press.:
ca. 1 atm
Decomposition:
no
Sublimation:
no
Remarks on result:
other: The test item ROC-601 showed a melting range, no melting point. Standard deviation was 0.21 (begin); 0.14 (end) and estimated accuracy was ± 0.3 °C.

In the main test the following values were recorded (duplicate measurements):

 

Melting point/range

Begin

End

First Determination

51.8 °C (325.0 K)

52.9 °C (326.1 K)

Second Determination

51.5 °C (324.7 K)

52.7 °C (325.9 K)

 

After cooling down, no definite signs of decomposition were visible.

 

The means between both determinations give the following values for the melting point:

Melting point:                                51.7 °C to 52.8 °C (324.9 to 326.0 K)

Standard deviation:                     0.21 (begin); 0.14 (end)

Estimated accuracy:                    ± 0.3 °C

Validity

All validity criteria were met, as

Difference between duplicate determinations was ≤0.5 K (0.3 K found), and

Difference between begin and end of melting process ≤0.5 K (1.1 K and therefore results stated as melting range)

Conclusions:
The melting range of ROC-601 was determined as 51.7 °C to 52.8 °C (324.9 to 326.0 K).
Executive summary:

The determination was performed in duplicate. In both determinations, a melting range was detected.

The melting range was determined as 51.7 °C to 52.8 °C (324.9 to 326.0 K). These values are the means from two independent determinations.

The validity criterion “difference between duplicate determinations” was met. The test itemROC-601showed a melting range, no melting point.

Description of key information

The melting range was determined as 51.7 °C to 52.8 °C (324.9 to 326.0 K).

Key value for chemical safety assessment

Melting / freezing point at 101 325 Pa:
51.7 °C

Additional information