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EC number: 223-095-2 | CAS number: 3734-33-6
- Life Cycle description
- Uses advised against
- Endpoint summary
- Appearance / physical state / colour
- Melting point / freezing point
- Boiling point
- Density
- Particle size distribution (Granulometry)
- Vapour pressure
- Partition coefficient
- Water solubility
- Solubility in organic solvents / fat solubility
- Surface tension
- Flash point
- Auto flammability
- Flammability
- Explosiveness
- Oxidising properties
- Oxidation reduction potential
- Stability in organic solvents and identity of relevant degradation products
- Storage stability and reactivity towards container material
- Stability: thermal, sunlight, metals
- pH
- Dissociation constant
- Viscosity
- Additional physico-chemical information
- Additional physico-chemical properties of nanomaterials
- Nanomaterial agglomeration / aggregation
- Nanomaterial crystalline phase
- Nanomaterial crystallite and grain size
- Nanomaterial aspect ratio / shape
- Nanomaterial specific surface area
- Nanomaterial Zeta potential
- Nanomaterial surface chemistry
- Nanomaterial dustiness
- Nanomaterial porosity
- Nanomaterial pour density
- Nanomaterial photocatalytic activity
- Nanomaterial radical formation potential
- Nanomaterial catalytic activity
- Endpoint summary
- Stability
- Biodegradation
- Bioaccumulation
- Transport and distribution
- Environmental data
- Additional information on environmental fate and behaviour
- Ecotoxicological Summary
- Aquatic toxicity
- Endpoint summary
- Short-term toxicity to fish
- Long-term toxicity to fish
- Short-term toxicity to aquatic invertebrates
- Long-term toxicity to aquatic invertebrates
- Toxicity to aquatic algae and cyanobacteria
- Toxicity to aquatic plants other than algae
- Toxicity to microorganisms
- Endocrine disrupter testing in aquatic vertebrates – in vivo
- Toxicity to other aquatic organisms
- Sediment toxicity
- Terrestrial toxicity
- Biological effects monitoring
- Biotransformation and kinetics
- Additional ecotoxological information
- Toxicological Summary
- Toxicokinetics, metabolism and distribution
- Acute Toxicity
- Irritation / corrosion
- Sensitisation
- Repeated dose toxicity
- Genetic toxicity
- Carcinogenicity
- Toxicity to reproduction
- Specific investigations
- Exposure related observations in humans
- Toxic effects on livestock and pets
- Additional toxicological data
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.
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