Benzoic acid, 2-ethoxy-4-[2-[[(1S)-3-methyl-1-[2-(1-piperidinyl)phenyl]butyl]amino]-2-oxoethyl]-, ethyl ester

Boiling point

Administrative data

Endpoint:

boiling point

Type of information:

other: expert statement

Adequacy of study:

key study

Study period:

1999

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

other: expert statement based on experimental data

Cross-reference

Reason / purpose for cross-reference:

reference to other study

Reference

Endpoint:

melting point/freezing point

Type of information:

experimental study

Adequacy of study:

key study

Study period:

Feb 21 - May 31, 1999

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

GLP compliance:

yes

Type of method:

capillary method

Key result

Melting / freezing pt.:

123 °C

Decomposition:

yes

Decomp. temp.:

ca. 300 °C

Conclusions:

In conclusion, the melting point of AGEE 623 Amidester was determined to be 123 °C (396K).

Executive summary:

The determination of the melting point / melting range of AGEE 623 Amidester was performed in accordance with the EEC directive 92/69, Annex V, Part A, Methods for the determination of physico-chemical properties, A.1 “Melting Point / Melting Range” (1992) and OECD Guidelines for Testing of Chemicals, Guideline No. 102, “Melting Point / Melting Range” (1995) and EPA Product Properties Test Guideline OPPTS 830.7200 (1996).

The determination of the melting point / melting range was performed by visual judgement using the capillary method.

Using a linear heating rate of about 10K/min, AGEE 623 Amidester started to melt at about 121°C and started to decompose or react at about 300°C in the preliminary test. Thereby the colour of the liquid test substance changed from light yellowish to dark brown. Additional to this darkening, a formation of bubbles was observed started at about 360°C.

Three clear stages of melting were observed in the experiments of the main test. The melting process started at approximately 122.2°C (Stage A), a clearance of the melt (Stage B) was observed at 122.6 – 122.9 °C and the melting ended at 123.2°C (Stage E).

Data source

Reference

Reference Type:

other: expert statement

Title:

Unnamed

Year:

1999

Report date:

1999

Materials and methods

Test guideline

Qualifier:

equivalent or similar to guideline

Guideline:

other: expert statement based on experimental data

Deviations:

not specified

Principles of method if other than guideline:

Visual judgement; observation of degradation or reaction temperature during the experimental determination of the melting point / melting range using the capillary method.

GLP compliance:

not specified

Type of method:

other: expert statement, visual judgement

Test material

Test material information

Constituent 1

Reference substance name:

2-Ethoxy-4-{3-[(S)-3-methy-1-(2-piperidin-1-yl-phenyl)-butylamino]-2-oxo-propyl}-benzoic acid ethyl ester

EC Number:

604-604-0

Cas Number:

147770-06-7

Molecular formula:

C29 H40 N2 O4

IUPAC Name:

2-Ethoxy-4-{3-[(S)-3-methy-1-(2-piperidin-1-yl-phenyl)-butylamino]-2-oxo-propyl}-benzoic acid ethyl ester

Results and discussion

Boiling point

Decomposition:

yes

Decomp. temp.:

ca. 300 °C

Applicant's summary and conclusion

Conclusions:

In conclusion, no boiling of AGEE 623 Amidester was observed up to a degradation or reaction temperature of about 300°C during the experimental determination of the melting point / melting range. Therefore, no separate experimental determination of the boiling point / boiling range had to be performed according to the guideline in force.

Executive summary:

During the determination of the melting point / melting range of AGEE 623 Amidester (see study on melting point, Report no. 4721180), no boiling of AGEE 623 Amidester was observed. But the results obtained indicate without doubt, that AGEE 623 Amidester starts to decompose or react at temperatures > 300°C.