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EC number: 223-095-2 | CAS number: 3734-33-6
Boiling point
Administrative data
Link to relevant study record(s)
- Endpoint:
- boiling 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 103 (Boiling point/boiling range)
- Principles of method if other than guideline:
- The boiling point determination of test substance denatoium benzoate (CAS No. 3734-33-6) was done as per the test guideline OECD 103. The method followed was according to Siwoloboff.
- GLP compliance:
- no
- Type of method:
- method according to Siwoloboff
- 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
- Atm. press.:
- 973.5 hPa
- Decomposition:
- yes
- Decomp. temp.:
- 180 °C
- Remarks on result:
- other: No other detail available
- Conclusions:
- The granular form of Denatonium benzoate is determine to get decomposed at 180°C. Thus the boiling point could not be estimated accurately
- Executive summary:
The boiling point determination of Denatonium benzoate was done as per the test guideline OECD 103. The method followed was according to Siwoloboff. The granular form of Denatonium benzoate is determine to get decomposed at 180°C. Thus the boiling point could not be estimated accurately.
- Endpoint:
- boiling 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 103 (Boiling point/boiling range)
- Principles of method if other than guideline:
- The boiling point determination of test substance denatoium benzoate (CAS No. 3734-33-6) was done as per the test guideline OECD 103. The method followed was according to Siwoloboff.
- GLP compliance:
- no
- Type of method:
- method according to Siwoloboff
- 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
- Atm. press.:
- 973.5 hPa
- Decomposition:
- yes
- Decomp. temp.:
- 200 °C
- Remarks on result:
- other: No other detail available
- Conclusions:
- The powder form of Denatonium benzoate is determine to get decomposed at 200 °C. Thus, it was not possible to accurately determine the boling point.
- Executive summary:
The boiling point determination of Denatonium benzoate was done as per the test guideline OECD 103. The method followed was according to Siwoloboff. The powder form of Denatonium benzoate is determine to get decomposed at 200 °C. Thus, it was not possible to accurately determine the boling point.
Referenceopen allclose all
Description of key information
The boiling point determination of test substance denatoium benzoate (CAS No. 3734-33-6) was done as per the test guideline OECD 103. The method followed was according to Siwoloboff. The granular and powdered form of the substance started decomposing at 180°C and 200 °C respectively. The colour of substances changes from light yellow liquid to dark brown at 240 °C on decomposition for both the forms.
Key value for chemical safety assessment
- Boiling point at 101 325 Pa:
- 180 °C
Additional information
The boiling point determination of test substance denatoium benzoate (CAS No. 3734-33-6) was done as per the test guideline OECD 103. The method followed was according toSiwoloboff. The granular and powdered form of the substance started decomposing at 180°C and 200 °C respectively. The colour of substances changes from light yellow liquid to dark brown at 240 °C on decomposition for both the forms.
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