Registration Dossier
Registration Dossier
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EC number: 202-616-7 | CAS number: 97-89-2
Endpoint summary
Administrative data
Description of key information
Appearance:
On the basis of physical observation the test chemical 3,7-dimethyloct-6-enyl isobutyrate was observed to be an organic colourless liquid in appearance.
Freezing point:
The Freezing point determination of test chemical 3,7-dimethyloct-6-enyl isobutyrate was done using crushed ice and salt. No freezing was observed up to -14.30 °C. Hence, the freezing point was inferred to be less than -14.30 °C at 970.1 hPa.
Boiling point:
The boiling point determination of test chemical 3,7-dimethyloct-6-enyl isobutyrate was done following OECD Guideline 103 and according to the method of Siwoloboff. The test was conducted in replicates and mean boiling point was determined to be 256.1°C at 970.9 hPa.
Density:
The density of test chemical 3,7-dimethyloct-6-enyl isobutyrate was determined following OECD guideline 109 and according to the Indian standard method for determination of density of liquids [IS 4730:1994 (Reaffirmed 2010)]. The mean density of the test chemical 3,7-dimethyloct-6-enyl isobutyrate was determined to be 0.8706 g/cm³ 20°C and 969.4 hPa.
Particle size distribution:
The study does not need to be conducted because the substance 3,7-dimethyloct-6-enyl isobutyrate is 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 the test chemical 3,7-dimethyloct-6-enyl isobutyrate using MPBPVP v1.43 of EPI SUITE.
The estimated vapour pressure of the test chemical 3,7-dimethyloct-6-enyl isobutyrate at 25 deg C was 0.0019 kpa.
Partition coefficient:
The partition coefficient (n-octanol/water) of test substance 3,7-dimethyloct-6-enyl isobutyrate was determined as per the HPLC method (OECD Guideline-117). The Log Pow value was determined to be 5.4148 ± 0.0063 dimensionless at 25°C.
Water solubility:
The water solubility determination of test item 3,7-dimethyloct-6-enyl isobutyrate was done as per the OECD guideline 105 byspectrophotometric analytical method.The solubility of test chemical 3,7-dimethyloct-6-enyl isobutyrate in water was determined to be Insoluble in water at 30°C.
Surface tension:
Based on the data from ACD labs, surface tension of test chemical 3,7-dimethyloct-6-enyl isobutyrate was predicted to be 28.0 ± 3.0 N/m.
Flash point:
The flash point determination of test chemical 3,7-dimethyloct-6-enyl isobutyrate was done following closed cup method using Pensky-Martens flash point apparatus. The test chemical 3,7-dimethyloct-6-enyl isobutyrate was conducted in replicates and mean flash point was determined to be 109.6°C at 970.8hPa.
Auto flammability:
The test chemical 3,7-dimethyloct-6-enyl isobutyrate did not catch fire on being exposed to air at room temperature of 27°Cpressure of 966 hPa. This indicates that test chemical 3,7-dimethyloct-6-enyl isobutyrate is not auto-flammable.
Flammability:.
The test chemical 3,7-dimethyloct-6-enyl isobutyrate 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 test chemical is not flammable at high temperature. However since such high temperatures are not found under normal circumstances of transportation and use, thus test chemical 3,7-dimethyloct-6-enyl isobutyrate was considered non-flammable for chemical safety assessment.
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 oxidising properties and hence, the classification procedure does not need to be applied.
pH:
The pH determination of test chemical 3,7-dimethyloct-6-enyl isobutyrate was done as per the test guideline OECD 122. The mean pH of the test emulsion was determined with the help of digital pH meter. The mean pH was determined to be 7.38 at 29 °C.
Viscosity:
The viscosity determination of test chemical 3,7-dimethyloct-6-enyl isobutyrate was done as per the test guideline OECD 114 using Redwood Viscometer No. 1. Kinematic viscosity (experimental) of Test item at 20°C and 40°C is 20.8560 mm²/sec and 17.2392 mm²/s, respectively. Dynamic viscosity (calculated) of Test item 3,7-dimethyloct-6-enyl isobutyrate at 20°C and 40°C is 18.1572 mPa.S and 15.0084 mPa.S, respectively.
Additional information
Appearance:
On the basis of physical observation the test chemical 3,7-dimethyloct-6-enyl isobutyrate was observed to be an organic colourless liquid in appearance.
Other supporting study from various reliable handbooks also indicates that the test chemical 3,7-dimethyloct-6-enyl isobutyrate was observed to be Colorless liquid having a sweet, fruity and rose-like odor.
Freezing point:
The Freezing point determination of test chemical 3,7-dimethyloct-6-enyl isobutyrate was done using crushed ice and salt. No freezing was observed up to -14.30 °C. Hence, the freezing point was inferred to be less than -14.30 °C at 970.1 hPa.
Boiling point:
The boiling point determination of test chemical 3,7-dimethyloct-6-enyl isobutyrate was done following OECD Guideline 103 and according to the method of Siwoloboff. The test was conducted in replicates and mean boiling point was determined to be 256.1°C at 970.9 hPa.
Other supporting studies from various reliable handbooks also indicates that the boiling point of test chemical 3,7-dimethyloct-6-enyl isobutyrate was observed to be 249 degree C
Also supported by the data from handbook and authoritative database which indicates that the boiling point of test chemical 3,7-dimethyloct-6-enyl isobutyrate was determined to be in the range of 175 degree C to 180 degree C at 2.0 kPa and 131 degree C to 132 degree C at 16 kpa.
As the data from lab has K1 reliability and the test was performed using OECD guidelines which has the value of boiling point temperature as 256.1 degree C thus considered as key study for the chemical safety assessment.
Density:
The density of test chemical 3,7-dimethyloct-6-enyl isobutyrate was determined following OECD guideline 109 and according to the Indian standard method for determination of density of liquids [IS 4730:1994 (Reaffirmed 2010)]. The mean density of the test chemical 3,7-dimethyloct-6-enyl isobutyrate was determined to be 0.8706 g/cm³ 20°C and 969.4 hPa.
Other supporting studies from various reliable handbook also indicates that the density of test chemical 3,7-dimethyloct-6-enyl isobutyrate was determined to be in the range of 0.870 g/cm3 to 0.880 g/cm3 at 25 degree C and 0.8816 g/cm3 at 15 degree C.
As the data from lab has K1 reliability and the test was performed using OECD guidelines which has the value of density as 0.8706 g/cm3 at 20 degree C thus considered as key study for the chemical safety assessment.
Particle size distribution:
The study does not need to be conducted because the substance is 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 the chemical test chemical 3,7-dimethyloct-6-enyl isobutyrate using MPBPVP v1.43 of EPI SUITE.
The estimated vapour pressure of the chemical test chemical 3,7-dimethyloct-6-enyl isobutyrate at 25 deg C was 0.0019 kpa.
Partition coefficient:
The partition Coefficient n-octanol/water of test chemical 3,7-dimethyloct-6-enyl isobutyrate was determined by the Reverse Phase High Performance Liquid Chromatography method according to OECD Guideline No. 117 for testing of Chemicals.The reference substances were chosen according to the estimated Pow range of the test substance and generalized calibration graph was prepared. The reference substances were having Pow value ranging from 0.5 to 4.6. The Log Pow value was determined to be 5.4148 ± 0.0063 at 25°C.This value indicates that the substance is very hydrophobic in nature.
Water solubility:
The water solubility determination of test chemical 3,7-dimethyloct-6-enyl isobutyrate was done as per the OECD guideline 105 byspectrophotometric analytical method.The solubility of test chemical 3,7-dimethyloct-6-enyl isobutyrate in water was determined to be Insoluble in water at 30°C.
Other suppoting from reliable handbook also indicates that the chemical test chemical 3,7-dimethyloct-6-enyl isobutyrate was observed to bein soluble in water.
Surface tension:
Based on the data from ACD labs, surface tension of test chemical 3,7-dimethyloct-6-enyl isobutyrate was predicted to be 28.0 ± 3.0 N/m.
Flash point:
The flash point determination of test chemical 3,7-dimethyloct-6-enyl isobutyrate was done following closed cup method using Pensky-Martens flash point apparatus. The test was conducted in replicates and mean flash point was determined to be 109.6°C at 970.8hPa.
Other supporting study from reliable handbook also suggests that the flash point of test chemical 3,7-dimethyloct-6-enyl isobutyrate was determined to be 100 degree C.
As the data from lab has K1 reliability and the test was performed using OECD guidelines which has the value of flash point temperature as 109.6 degree C thus considered as key study for the chemical safety assessment.
Auto flammability:
The test chemical 3,7-dimethyloct-6-enyl isobutyrate did not catch fire on being exposed to air at room temperature of 27°Cpressure of 966 hPa. This indicates that test chemical 3,7-dimethyloct-6-enyl isobutyrate is not auto-flammable.
Flammability:.
The test chemical 3,7-dimethyloct-6-enyl isobutyrate 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 test chemical is not flammable at high temperature. However since such high temperatures are not found under normal circumstances of transportation and use, thus test chemical 3,7-dimethyloct-6-enyl isobutyrate was considered non-flammable for chemical safety assessment.
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 oxidising properties and hence, the classification procedure does not need to be applied
pH:
The pH determination of test chemical 3,7-dimethyloct-6-enyl isobutyrate was done as per the test guideline OECD 122. The mean pH of the test emulsion was determined with the help of digital pH meter. The mean pH was determined to be 7.38 at 29 °C.
Viscosity:
The viscosity determination of chemical test chemical 3,7-dimethyloct-6-enyl isobutyrate was done as per the test guideline OECD 114 using Redwood Viscometer No. 1. Kinematic viscosity (experimental) of Test item at 20°C and 40°C is 20.8560 mm²/sec and 17.2392 mm²/s, respectively. Dynamic viscosity (calculated) of Test item 3,7-dimethyloct-6-enyl isobutyrate at 20°C and 40°C is 18.1572 mPa.S and 15.0084 mPa.S, respectively.
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