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Registration Dossier
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EC number: 941-450-6 | CAS number: -
Endpoint summary
Administrative data
Description of key information
Appearance / physical state / colour:
The appearance of Reaction mass of 2,6,6-trimethylcyclohex-2-ene-1-carbaldehyde and 2,6,6-trimethylcyclohexene-1-carbaldehyde is observed to be pale yellow liquid oil organic compound.
Melting point/ Freezing point:
Based on prediction done using MPBPVP v1.43, the freezing point of reaction mass of 2,6,6-trimethylcyclohex-2-ene-1-carbaldehyde and 2,6,6-trimethylcyclohexene-1-carbaldehyde was estimated to be 10.22 ˚C.
Boiling point:
The boiling point of reaction mass of 2,6,6-trimethylcyclohex-2-ene-1-carbaldehyde and 2,6,6-trimethylcyclohexene-1-carbaldehyde is determined to be 97 °C at 29 mmHg pressure and 112 °C at 15 mmHg pressure.
Density:
The density of reaction mass of 2,6,6-trimethylcyclohex-2-ene-1-carbaldehyde and 2,6,6-trimethylcyclohexene-1-carbaldehyde is determined to be 0.959 g/cm3 at 15 °C.
Particle size distribution (Granulometry):
In accordance with column 2 of Annex VII of the REAcH regulation this end point was considered for waiver since the given chemical chemical is a liquid and is expected to be marketed or used in a non solid or granular form.
Vapour pressure:
The estimated vapour pressure of reaction mass of 2,6,6-trimethylcyclohex-2-ene-1-carbaldehyde and 2,6,6-trimethylcyclohexene-1 -carbaldehyde at 25 deg C was 24.1 Pa (0.181 mmHg).
Partition coefficient:
The estimated logPOW of reaction mass of 2,6,6-trimethylcyclohex-2-ene-1-carbaldehyde and 2,6,6-trimethylcyclohexene-1-carbaldehyde was 3.3071 at 25 °C.
Water solubility:
The estimated water solubility of reaction mass of 2,6,6-trimethylcyclohex-2-ene-1-carbaldehyde and 2,6,6-trimethylcyclohexene-1 -carbaldehyde at 25 deg C was 111.2 mg/l.
Surface tension:
In accordance with column 2 of Annex VII of the REACH regulation, the study need only be conducted if surface activity is a desired property of the chemical. The given chemical is used as a flavor and fragrance chemical, etc. For this use, surface activity is not an important property. Hence this study was considered for waiver.
Flash point:
The flash point of reaction mass of 2,6,6-trimethylcyclohex-2-ene-1-carbaldehyde and 2,6,6-trimethylcyclohexene-1-carbaldehyde is estimated to be 76.9 ± 16.5 °C.
Autoflammability:
Reaction mass of 2,6,6-trimethylcyclohex-2-ene-1-carbaldehyde and 2,6,6-trimethylcyclohexene-1-carbaldehyde did not catch fire on being exposed to air at room temperature of 27°C pressure of 966 hPa. This indicates that Reaction mass of 2,6,6-trimethylcyclohex-2-ene-1-carbaldehyde and 2,6,6-trimethylcyclohexene-1-carbaldehyde is not auto-flammable.
Flammability:
Reaction mass of 2,6,6-trimethylcyclohex-2-ene-1-carbaldehyde and 2,6,6-trimethylcyclohexene-1-carbaldehyde does not indicate any ignition when the flame of bunsen burner having temperature of approximately 950°C is brought in contact with it. Thus it can be concluded that Reaction mass of 2,6,6-trimethylcyclohex-2-ene-1-carbaldehyde and 2,6,6-trimethylcyclohexene-1-carbaldehyde is not flammable at high temperature. However since such high temperatures are not found under normal circumstances of transportation and use, thus Reaction mass of 2,6,6-trimethylcyclohex-2-ene-1-carbaldehyde and 2,6,6-trimethylcyclohexene-1-carbaldehyde was considered non-flammable.
Explosiveness:
The study does not need to be conducted because there are no chemical groups present in the molecule which are associated with explosive properties.
Oxidising properties:
The study does not need to be conducted because there are no chemical groups present in the molecule which are associated with oxidizing properties and hence the classification procedure does not need to be applied.
Additional information
Appearance / physical state / colour:
Based on available data from secondary source, the appearance of Reaction mass of 2,6,6-trimethylcyclohex-2-ene-1-carbaldehyde and 2,6,6-trimethylcyclohexene-1-carbaldehyde is observed to be pale yellow liquid oil organic compound.
Melting point/ Freezing point:
Based on the prediction done using the EPI Suite MPVPBP V1.43, the freezing point of reaction mass of 2,6,6-trimethylcyclohex-2-ene-1 -carbaldehyde and 2,6,6-trimethylcyclohexene-1-carbaldehydewas predicted.
The melting point of reaction mass of 2,6,6-trimethylcyclohex-2-ene-1-carbaldehyde and 2,6,6-trimethylcyclohexene-1-carbaldehyde was estimated to be 10.22 ˚C.
Boiling point:
Based on available data from handbook, the boiling point of reaction mass of 2,6,6-trimethylcyclohex-2-ene-1-carbaldehyde and 2,6,6 -trimethylcyclohexene-1-carbaldehyde is determined to be 97 °C at 29 mmHg pressure and 112 °C at 15 mmHg pressure.
Other supporting data from authoritative database, also determined the boiling point of reaction mass of 2,6,6-trimethylcyclohex-2-ene-1 -carbaldehyde and 2,6,6-trimethylcyclohexene-1-carbaldehyde as 90-92 °C at 10 mmHg pressure and 75-77 °C at 10 mmHg pressure.
Density:
Based on available data from handbook and authoritative database, the density of reaction mass of 2,6,6-trimethylcyclohex-2-ene-1 -carbaldehyde and 2,6,6-trimethylcyclohexene-1-carbaldehyde is determined to be 0.959 g/cm3 at 15 °C.
Other supporting data from secondary source, also supported the selected key study and exhibited the density of reaction mass of 2,6,6 -trimethylcyclohex-2-ene-1-carbaldehyde and 2,6,6-trimethylcyclohexene-1-carbaldehyde as 0.950-0.957 g/cm3, much closer to the selected key value.
Particle size distribution (Granulometry):
In accordance with column 2 of Annex VII of the REAcH regulation this end point was considered for waiver since the given chemical chemical is a liquid and is expected to be marketed or used in a non solid or granular form.
Vapour pressure:
Modified Grain method (Mean of Antoine and Modified Grain methods) was used to estimate the vapour pressure of Reaction mass of 2,6,6-trimethylcyclohex-2-ene-1-carbaldehyde and 2,6,6-trimethylcyclohexene-1-carbaldehyde using MPBPVP v1.43 of EPI SUITE.
The estimated vapour pressure of Reaction mass of 2,6,6-trimethylcyclohex-2-ene-1-carbaldehyde and 2,6,6-trimethylcyclohexene-1 -carbaldehyde at 25 deg C was 24.1 Pa (0.181 mmHg).
Partition coefficient:
KOWWIN V1.68 was used to estimate the octanol water partition coefficient of reaction mass of 2,6,6-trimethylcyclohex-2-ene-1-carbaldehyde and 2,6,6-trimethylcyclohexene-1-carbaldehyde.
The estimated logPOW of the reaction mass of 2,6,6-trimethylcyclohex-2-ene-1-carbaldehyde and 2,6,6-trimethylcyclohexene-1-carbaldehyde was 3.3071 at 25 °C.
Based on the estimated value, the reaction mass of 2,6,6-trimethylcyclohex-2-ene-1-carbaldehyde and 2,6,6-trimethylcyclohexene-1-carbaldehyde can be considered hydrophillic/hydrophobic in nature, which is also supported by the water solubility of the given test substance.
Water solubility:
WSKOW v1.42 was used to estimate the water solubility of reaction mass of 2,6,6-trimethylcyclohex-2-ene-1-carbaldehyde and 2,6,6-trimethylcyclohexene-1-carbaldehyde.
The estimated water solubility of the eaction mass of 2,6,6-trimethylcyclohex-2-ene-1-carbaldehyde and 2,6,6-trimethylcyclohexene -1-carbaldehyde at 25 deg C was 111.2 mg/l.
Based on the estimated value, the eaction mass of 2,6,6-trimethylcyclohex-2-ene-1-carbaldehyde and 2,6,6-trimethylcyclohexene -1-carbaldehyde was in water.
Surface tension:
In accordance with column 2 of Annex VII of the REACH regulation, the study need only be conducted if surface activity is a desired property of the chemical. The given chemical is used as a flavor and fragrance chemical, etc. For this use, surface activity is not an important property. Hence this study was considered for waiver.
Flash point:
Based on available data from authoritative database Scifinder, the flash point of reaction mass of 2,6,6-trimethylcyclohex-2-ene-1-carbaldehyde and 2,6,6-trimethylcyclohexene-1-carbaldehyde is estimated to be 76.9 ± 16.5 °C.
Hence on the basis of estimated value the given chemical is not classified as flammable.
Autoflammability:
Reaction mass of 2,6,6-trimethylcyclohex-2-ene-1-carbaldehyde and 2,6,6-trimethylcyclohexene-1-carbaldehyde did not catch fire on being exposed to air at room temperature of 27°C pressure of 966 hPa. This indicates that Reaction mass of 2,6,6-trimethylcyclohex-2-ene-1-carbaldehyde and 2,6,6-trimethylcyclohexene-1-carbaldehyde is not auto-flammable.
Flammability:
Reaction mass of 2,6,6-trimethylcyclohex-2-ene-1-carbaldehyde and 2,6,6-trimethylcyclohexene-1-carbaldehyde does not indicate any ignition when the flame of bunsen burner having temperature of approximately 950°C is brought in contact with it. Thus it can be concluded that Reaction mass of 2,6,6-trimethylcyclohex-2-ene-1-carbaldehyde and 2,6,6-trimethylcyclohexene-1-carbaldehyde is not flammable at high temperature. However since such high temperatures are not found under normal circumstances of transportation and use, thus Reaction mass of 2,6,6-trimethylcyclohex-2-ene-1-carbaldehyde and 2,6,6-trimethylcyclohexene-1-carbaldehyde was considered non-flammable.
Explosiveness:
The study does not need to be conducted because there are no chemical groups present in the molecule which are associated with explosive properties.
Oxidising properties:
The study does not need to be conducted because there are no chemical groups present in the molecule which are associated with oxidizing properties and hence the classification procedure does not need to be applied.
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