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EC number: 214-494-2 | CAS number: 1135-66-6
Endpoint summary
Administrative data
Description of key information
Appearance / physical state / colour:
The physical appearance of Isolongifolene (CAS no. 1135-66-6) is observed to be a colorless liquid organic compound.
Melting point/ Freezing point:
The Freezing point of Isolongifolene (CAS no. 1135-66-6) was determined. No freezing was observed up to -10.64 °C. Hence, the freezing point was inferred to be less than -10.64°C.
Boiling point:
The boiling point of Isolongifolene (CAS no. 1135-66-6) is determined to be 82 ˚C at 0.4 mmHg.
Density:
The density of Isolongifolene (CAS no. 1135-66-6) is determined to be 0.9295 g/cm3 at 25 °C & 0.9791 g/cm3 at 30°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 chemical Isolongifolene (CAS no. 1135-66-6) 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 the test substance Isolongifolene (CAS no. 1135-66-6) at 25 deg C was 5.49 Pa (0.0412 mm Hg).
Partition coefficient:
Based on the available data from modelling database, the partition coefficient (log Pow) value of the test chemical (2S)-1,3,4,5,6,7-hexahydro-1,1,5,5 -tetramethyl-2H-2,4a-methano naphthalene was estimated to be 5.77. On the basis of this value, chemical (2S)-1,3,4,5,6,7-hexahydro-1,1,5,5-tetramethyl-2H-2,4a-methanonaphthalene can be considered to be hydrophobic in nature.
Water solubility:
The estimated water solubility of test substance Isolongifolene (CAS no. 1135-66-6) at 25 deg C was 0.059998 mg/l.
Surface tension:
The study does not need to be conducted because water solubility is below 1 mg/L at 20°C. The estimated water solubility of the test substance Isolongifolene (CAS no. 1135-66-6) at 25 deg C was 0.059998 mg/l. Based on the estimated value, the test substance Isolongifolene (CAS no. 1135-66-6) was considered to be insoluble in water.
Flash point:
The flash point of Isolongifolene (CAS no. 1135-66-6) is determined to be 49 °C.
Autoflammability:
Isolongifolene (CAS no. 1135-66-6) did not catch fire on being exposed to air at room temperature of 27°C pressure of 966 hPa. This indicates that Isolongifolene (CAS no. 1135-66-6) is not auto-flammable.
Flammability:
The study does not need to be conducted because the substance Isolongifolene (CAS no. 1135-66-6) is a flammable liquid under catagory 3 having a reported flash point of 49 degree C.Therefore it is not recommended to conduct testing for flammability. Thus, this end point was considered for waiver.
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 handbooks and publication, the physical appearance of Isolongifolene (CAS no. 1135-66-6) is observed to be a colorless liquid organic compound.
Melting point/ Freezing point:
The Freezing point of Isolongifolene (CAS no. 1135-66-6) was determined. No freezing was observed up to -10.64 °C. Hence, the freezing point was inferred to be less than -10.64°C.
Boiling point:
Based on available data from authoritative handbook, the boiling point of Isolongifolene (CAS no. 1135-66-6) is determined to be 82 ˚C at 0.4 mmHg.
Other supporting data from authoritative handbook, also supported the selected key study and exhibited the boiling point of Isolongifolene (CAS no. 1135-66-6) as 82-83 ˚C at 0.4 mmHg, much closer to the selected key value, 119-122˚C at 10 mmHg, 107˚C at 7 mmHg & 255˚C.
Density:
Based on available data from authoritative database Scifinder, the density of Isolongifolene (CAS no. 1135-66-6) is determined to be 0.9295 g/cm3 at 25 °C & 0.9791 g/cm3 at 30°C.
Other supporting data from ACD/I-Lab 2.0, also supported the selected key study and estimated the density of chemical Isolongifolene (CAS no. 1135-66-6) as 0.95 ± 0.1 g/cm3, closer to 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 chemical Isolongifolene (CAS no. 1135-66-6) 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 the test substance
Isolongifolene (CAS no. 1135-66-6) using MPBPVP v1.43 of EPI SUITE.
The estimated vapour pressure of the test substance Isolongifolene (CAS no. 1135-66-6) at 25 deg C was 5.49 Pa ( 0.0412 mm Hg).
Partition coefficient:
Based on the available data in a key study from modelling database, the partition coefficient (log Pow) value of the test chemical (2S)-1,3,4,5,6,7 -hexahydro-1,1,5,5 -tetramethyl-2H-2,4a- methanonaphthalene was estimated to be 5.77.
Additional supporting study from modelling database indicates that the octanol water partition coefficient (log Pow) value of the substance (2S)-1,3,4,5,6,7 -hexahydro-1,1,5,5 -tetra methyl-2H-2,4a-methanonaphthalene was estimated to be 4.85 using OPERA V1.02.
Thus, based on the available information, the logPow value of the test chemical (2S)-1,3,4,5,6,7 -hexahydro-1,1,5,5 -tetramethyl-2H-2,4a-methanonaphthalene ranges from 4.85 to 5.77, respectively. On the basis of this value, chemical (2S)-1,3,4,5,6,7-hexahydro-1,1,5,5-tetramethyl-2H-2,4a-methanonaphthalene can be considered to be hydrophobic nature.
Water solubility:
WSKOW v1.42 was used to estimate the water solubility of the test substance Isolongifolene (CAS no. 1135-66-6).
The estimated water solubility of the test substance Isolongifolene (CAS no. 1135-66-6) at 25 deg C was 0.059998 mg/l.
Based on the estimated value, the test substance Isolongifolene (CAS no. 1135-66-6) was considered to be insoluble in water.
Surface tension:
The study does not need to be conducted because water solubility is below 1 mg/L at 20°C. The estimated water solubility of the test substance Isolongifolene (CAS no. 1135-66-6) at 25 deg C was 0.059998 mg/l. Based on the estimated value, the test substance Isolongifolene (CAS no. 1135-66-6) was considered to be insoluble in water.
Flash point:
Based on available data from obtained report, the flash point of Isolongifolene (CAS no. 1135-66-6) is determined to be 49 °C.
Hence the given chemical is come under Category 3 (flammable liquids) based on GHS criteria and classified as flammable.
Autoflammability:
Isolongifolene (CAS no. 1135-66-6) did not catch fire on being exposed to air at room temperature of 27°C pressure of 966 hPa. This indicates that Isolongifolene (CAS no. 1135-66-6) is not auto-flammable.
Flammability:
The study does not need to be conducted because the substance Isolongifolene (CAS no. 1135-66-6) is a flammable liquid under catagory 3 having a reported flash point of 49 degree C.Therefore it is not recommended to conduct testing for flammability. Thus, this end point was considered for waiver.
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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