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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.

The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.

Diss Factsheets

Physical & Chemical properties

Endpoint summary

Administrative data

Description of key information

Appearance/physical state/colour:

Denatonium benzoate is observed to be an organic solid present in the form of white powder & granules.

Melting point/freezing point:

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.

Boiling Point

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.

Density:

The density was determined for the test substance Denatonium benzoate (CAS No. 3734 -33 -6) by pour density method following the OECD Guideline 109 for density of solids and liquids and standard method recommended in the International Pharmacopoeia, fourth Edition, 2014.The pour density and tap density for granular form was determine to be 0.3846 g/cm3and  0.4545 g/cm3at 26°C.The pour density and tapped density for powdered form was determine to be 0.3333 g/cm3and  0.4000 g/cm3at 26°C.

Particle size distribution (Granulometry)

The particle size distribution of test substance Denatonium Benzoate (CAS No. 3734-33-6) was determined by granulometric analysis with rotap sieve shaker. The particle size distribution of over 99% particles was determine to be in the range of 150 micron.

Vapour Pressure

The estimated vapour pressure of Denatonium benzoate at 25 deg C was 4.75E-11 Pa.

Partition coefficient:

The partition Coefficient n-octanol/water of Denatonium benzoate (Granules) CAS No.3734-33-6was determined by the Reverse Phase High Performance Liquid Chromatographic method according to OECD Guideline No. 117 for Testing of Chemicals. The reference substances were chosen according to structural similarity with the test substance. The reference substances were Acetanilide, Acetophenone, Toluene, Naphthalene, Biphenyl, N butyl benzene, Triphenylamine having Pow value ranging from 1 to 5.7.TheLog Powvalue of Denatonium benzoate (Granules) was determined to be 2.205± 0.021at 25°C.

Water solubility:

The water solubility determination of test substance denatonium benzoate was done as per the HPLC method. The solubility was determine to be 42555.075 mg/L at 25°C. Thus the chemical is considered to be very soluble.

Solubility in organic solvent:

The solubility range of the substance Denatonium Benzoate, granular form,in methanol and ethanol was found to be 200-1000g/L, the solubility range in acetonitrile and DMF was found to be 10-50g/L, the solubility range in acetone was found to be 1-10g/L and the solubility range in toluene was found to be <1g/L respectively, at 33.8°C.

The solubility range of the substance Denatonium Benzoate, powder form, in methanol is >1000g/L, the solubility range in ethanol is 200-1000g/L, whereas the solubility range in DMF is 100-200g/L and in acetonitrile was in the range of 50-100g/L. The solubility range in acetone was found to be 10-50g/L. However, the solubility range in toluene is <1g/L respectively, at 33.8°C

Surface tension:

In accordance with coloumn 2 of Annex VII of the REACH regulation this end point was considered for waiver since surface activity is not a desired property of the chemical.

Flash point:

The flash point determination of test substance Denatonium Benzoate (granular form & powder form) (CAS No. 3734-33-6) was done. The method is closed cup method using Pensky Martin’s Flash Point Apparatus. The flashpoint of the test substance was determine to be 100°C for granular and powder form (form A & B) at 968.9 hPa.

Auto Flammability

Auto flammability of the substance Denatonium Benzoate was determined to be above the melting point of 164.5°C.

Flammability

Flammability of the chemical was tested in accordance with EEC test Method A10, the material melted but no burning initially took place.

The liquid formed from the heat applied, did ignite, but only for about 3 seconds and then selfextinguished. It was thus considered unnecessary to carry out the full burning rate tests as there would be no burning

times to measure.

Therefore, the chemical  Denatonium Benzoate is, under the terms of this test, NOT highly flammable and it is concluded that Denatonium Benzoate is not highly flammable solid.

Explosiveness

It is therefore our considered opinion from all the above, that there is no likely or realistic possibility of Denatonium Benzoate being an explosive hazard and that therefore, the actual Explosive Properties testing should not be required.

Oxidising Properties:

From the above result it is concluded that Denatonium Benzoate is an oxidising substance. By virtue of its faster reaction times at almost all ratios with Cellulose, must be considered as an Oxidising Substance.

pH:

The pH determination of test substance Denatonium benzoate (CAS No.3734-33-6) was done as per the test guideline OECD 122. The pH of the test solution was determined with the help of pH meter. The pH was determine to be 7.2 at 31.5 °C for granular form and 6.8 at 31.3°C for powdered form.

Additional information

Appearance/physical state/colour:

Denatonium benzoate is observed to be an organic solid present in the form of white powder & granules.

From other reliable sources & authorative databases it is concluded that Denatonium benzoate physically appear as a solid crystalline granules & powder.

Melting point/freezing point:

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.

Boiling Point

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.

Density:

The density was determined for the test substance Denatonium benzoate (CAS No. 3734 -33 -6) by pour density method following the OECD Guideline 109 for density of solids and liquids and standard method recommended in the International Pharmacopoeia, fourth Edition, 2014.The pour density and tap density for granular form was determine to be 0.3846 g/cm3and  0.4545 g/cm3at 26°C.The pour density and tapped density for powdered form was determine to be 0.3333 g/cm3and  0.4000 g/cm3at 26°C.

From other reliable sources it is concluded that density of Denatonium benzoate is 1.1256 g/cm3 at temperature 25 Deg C.

Particle size distribution (Granulometry)

The particle size distribution of test substance Denatonium Benzoate (CAS No. 3734-33-6) was determined by granulometric analysis with rotap sieve shaker. The particle size distribution of over 99% particles was determine to be in the range of 150 micron.

Vapour Pressure

 Modified Grain method was used to estimate the vapour pressure of Denatonium benzoate using MPBPVP v1.43 of EPI SUITE.

The estimated vapour pressure of Denatonium benzoate at 25 deg C was 4.75E-11 Pa.

Partition coefficient

Two experimental studies have been conducted for chemical Denatonium Benzoate (CAS no. 3734 -33 -6) for its different forms for partition coefficient Endpoint and their results are summarized below.

 

First study was the experimental study conducted for granular form of Denatonium Benzoate ( From UERL 2015) and the partition Coefficient n-octanol/water was determined by the Reverse Phase High Performance Liquid Chromatographic method according to OECD Guideline No. 117 for Testing of Chemicals. The reference substances were chosen according to structural similarity with the test substance. The reference substances were Acetanilide, Acetophenone, Toluene, Naphthalene, Biphenyl, N butyl benzene, Triphenylamine having Pow value ranging from 1 to 5.7. TheLog Pow value of Denatonium benzoate (Granules) was determined to be 2.205± 0.021at 25°C

 

And in another study partition coefficient was determined for powder form of Denatonium benzoate from same source and using same procedure and the Log Pow value of Denatonium benzoate (Powder) was determined to be 2.062 ± 0.009at 25°C indicating that this test chemical is hydrophilic in nature.

Water solubility:

The water solubility determination of test substance denatonium benzoate was done as per the HPLC method. The solubility was determine to be 42555.075 mg/L at 25°C. Thus the chemical is considered to be very soluble.

From the other reliable source & authorative databases water solubility value of Denatonium benzoate is concluded to be 45000 mg/l at 20°C

Solubility in organic solvent:

The solubility determination of test substance Denatonium Benzoate (granular form and powder form)(CAS No. 3734-33-6) in various organic solvents was done with acetone, acetonitrile, methanol, ethanol, toluene and Dimethylformamide (DMF). The solubility range of the test substance, granular form, in methanol and ethanol was found to be 200-1000g/L, the solubility range in acetonitrile and DMF was found to be 10-50g/L, the solubility range in acetone was found to be 1-10g/L and the solubility range in toluene was found to be <1g/L respectively, at 33.8°C.

The solubility range of the substance Denatonium Benzoate, powder form, in methanol is >1000g/L, the solubility range in ethanol is 200-1000g/L, whereas the solubility range in DMF is 100-200g/L and in acetonitrile was in the range of 50-100g/L. The solubility range in acetone was found to be 10-50g/L. However, the solubility range in toluene is <1g/L respectively, at 33.8°C.

From other reliable sources it is concluded that Denatonium Benzoate having solubility in organic solvent methanol is 690000 mg/L at temperature 20 Deg C.

Surface tension:

In accordance with coloumn 2 of Annex VII of the REACH regulation this end point was considered for waiver since surface activity is not a desired property of the chemical.

Flash point:

The flash point determination of test substance Denatonium Benzoate (granular form & powder form) (CAS No. 3734-33-6) was done. The method is closed cup method using Pensky Martin’s Flash Point Apparatus. The flashpoint of the test substance was determine to be 100°C for granular and powder form (form A & B) at 968.9 hPa.

Auto Flammability

The Relative Self-Ignition Temperature (Auto-Flammability) was determined according to EC Method Al 6.

The auto flammability of the substance Denatonium Benzoate was determined to be above the melting point of 164.5°C.

Flammability

Flammability of the chemical was tested in accordance with EEC test Method A10, the material melted but no burning initially took place.

The liquid formed from the heat applied, did ignite, but only for about 3 seconds and then selfextinguished. It was thus considered unnecessary to carry out the full burning rate tests as there would be no burning

times to measure.

Therefore, the chemical  Denatonium Benzoate is, under the terms of this test, NOT highly flammable and it is concluded that Denatonium Benzoate is not highly flammable solid.

Explosiveness

It is therefore our considered opinion from all the above, that there is no likely or realistic possibility of Denatonium Benzoate being an explosive hazard and that therefore, the actual Explosive Properties testing should not be required.

Oxidising Properties:

Oxidising property of the chemical Denatonium benzoate was determined in accordance with EEC Method A 17.

Based on the experimental result, it is concluded that Denatonium Benzoate is an oxidising substance. By virtue of its faster reaction times at almost all ratios with Cellulose, must be considered as an Oxidising Substance.

pH:

The pH determination of test substance Denatonium benzoate (CAS No.3734-33-6) was done as per the test guideline OECD 122. The pH of the test solution was determined with the help of pH meter. The pH was determine to be 7.2 at 31.5 °C for granular form and 6.8 at 31.3°C for powdered form.