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Physical & Chemical properties

Melting point / freezing point

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Administrative data

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Endpoint:
melting point/freezing point
Type of information:
experimental study
Adequacy of study:
key study
Study period:
26/08//2015 – 27/08/2015
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Justification for type of information:
Experimental test result performed using standard OECD test guidelines
Qualifier:
according to guideline
Guideline:
OECD Guideline 102 (Melting point / Melting Range)
Principles of method if other than guideline:
The melting point determination of test substance Denatonium Benzoate (CAS No.: 3734-33-6) was done as per the test guideline OECD 102. The method followed was according to Capillary/metal block.
GLP compliance:
not specified
Type of method:
other: Capillary/metal block
Specific details on test material used for the study:
- Name of test material (as cited in study report): Denatonium benzoate
- IUPAC NAme : benzyl({[(2,6-dimethylphenyl)carbamoyl]methyl})diethylazanium benzoate hydrate
- Molecular formula: C21H29N2O.C7H5O2
- Molecular weight: 446.58 g/mol
- Smiles : CC[N+](CC)(Cc1ccccc1)CC(=O)Nc2c(cccc2C)C.c1ccc(cc1)C(=O)[O-]
- InChI : 1S/C21H28N2O.C7H6O2/c1-5-23(6-2,15-19-13-8-7-9-14-19)16-20(24)22-21-17(3)11-10-12-18(21)4;8-7(9)6-4-2-1-3-5-6/h7-14H,5-6,15- 16H2,1-4H3;1-5H,(H,8,9)
- Substance type: organic
- Physical state: Solid
Key result
Melting / freezing pt.:
>= 163 - <= 171 °C
Atm. press.:
969.3 hPa
Decomposition:
no
Sublimation:
no
Remarks on result:
other: No other detail available
Conclusions:
Melting point for Granular form of Denatonium benzoate is determine to be in the range of 163 - 171°C at pressure 969.3 hPa
Executive summary:

The melting point determination of test substance Denatonium Benzoate (CAS No.: 3734-33-6) was done as per the test guideline OECD 102. The method followed was according to Capillary / metal block. The melting point for Granular form of Denatonium benzoate is determine to be in the range of 163 - 171°C at 969.3 hPa . No decomposition and sublimation observed at this temperature.

Endpoint:
melting point/freezing point
Type of information:
experimental study
Adequacy of study:
key study
Study period:
25/08/2015 - 25/08/2015
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Justification for type of information:
Experimental test result performed using standard OECD test guidelines
Qualifier:
according to guideline
Guideline:
OECD Guideline 102 (Melting point / Melting Range)
Principles of method if other than guideline:
The melting point determination of test substance Denatonium Benzoate (CAS No.: 3734-33-6) was done as per the test guideline OECD 102. The method followed was according to Capillary/metal block.
GLP compliance:
not specified
Type of method:
other: Capillary/metal block
Specific details on test material used for the study:
- Name of test material (as cited in study report): Denatonium benzoate
- IUPAC NAme : benzyl({[(2,6-dimethylphenyl)carbamoyl]methyl})diethylazanium benzoate hydrate
- Molecular formula: C21H29N2O.C7H5O2
- Molecular weight: 446.58 g/mol
- Smiles : CC[N+](CC)(Cc1ccccc1)CC(=O)Nc2c(cccc2C)C.c1ccc(cc1)C(=O)[O-]
- InChI : 1S/C21H28N2O.C7H6O2/c1-5-23(6-2,15-19-13-8-7-9-14-19)16-20(24)22-21-17(3)11-10-12-18(21)4;8-7(9)6-4-2-1-3-5-6/h7-14H,5-6,15- 16H2,1-4H3;1-5H,(H,8,9)
- Substance type: organic
- Physical state: Solid
Key result
Melting / freezing pt.:
>= 160 - <= 166 °C
Atm. press.:
960 hPa
Decomposition:
no
Sublimation:
no
Remarks on result:
other: No other detail available
Conclusions:
The melting point for powdered form of Denatonium benzoate is determine to be in the range of 160-166°C at pressure 960 hPa.
Executive summary:

The melting point determination of test substance Denatonium Benzoate (CAS No.: 3734-33-6) was done as per the test guideline OECD 102. The method followed was according to Capillary / metal block. The melting point for powdered form of Denatonium benzoate is determine to be in the range of 160-166°C at 960 hPa. No decomposition and sublimation observed at this temperature.

Description of key information

The melting point determination of test substance Denatonium Benzoate (CAS No.: 3734-33-6) was done as per the test guideline OECD 102. The method followed was according to Capillary/metal block. The melting point for Granular form was determine to be in the range of 163-171°C at 969.3hPa and for powdered form it was determine to be in the range of 160-166°C at 960.0 hPa.

Key value for chemical safety assessment

Melting / freezing point at 101 325 Pa:
163 °C

Additional information

The melting point determination of test substance Denatonium Benzoate (CAS No.: 3734-33-6) was done as per the test guideline OECD 102. The method followed was according to Capillary/metal block. The melting point for Granular form was determine to be in the range of 163-171°C at 969.3hPa and for powdered form it was determine to be in the range of 160-166°C at 960.0 hPa.

From other reliable sources & authorative databases it is concluded that melting point of Denatonium Benzoate is in the range between 163 to 170 Deg C.