Registration Dossier
Registration Dossier
Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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.
Use of this information is subject to copyright laws and may require the permission of the owner of the information, as described in the ECHA Legal Notice.
EC number: 258-203-7 | CAS number: 52821-24-6
Endpoint summary
Administrative data
Description of key information
Appearance:
3-(3-hydroxypropyl)-8-[(3-hydroxypropyl)amino]-3-azatricyclo[7.3.1.0⁵,¹³]trideca-1(13),5,7,9,11-pentaene-2,4-dione appears as a solid powder having yellow color & no odor.
Melting point:
Melting point of 3-(3-hydroxypropyl)-8-[(3-hydroxypropyl)amino]-3-azatricyclo[7.3.1.0⁵,¹³]trideca-1(13) ,5,7,9,11-pentaene-2,4-dione is determined to be in the range of 210 to 211 deg C. Other modelling database also concluded melting point of 3-(3-hydroxypropyl)-8-[(3-hydroxypropyl)amino]-3-azatricyclo[7.3.1.0⁵,¹³]trideca-1(13) ,5,7,9,11 -pentaene-2,4 -dione to be 263.69 Deg C.
Boiling Point:
Based on estimation done using MPBPVP v1.43,the Boiling point of 3 -(3 -hydroxypropyl)-8-[(3 -hydroxypropyl)amino]-3 -azatricyclo[7.3.1.0⁵,¹³]trideca-1(13),5,7,9,11-pentaene-2,4-dione was estimated to be 609.37˚C.
The predicted value of boiling point from other authorative database of 3-(3-hydroxypropyl)-8-[(3-hydroxypropyl)amino]-3 -azatricyclo[7.3.1.0⁵,¹³]trideca-1(13),5,7,9,11-pentaene-2,4-dione from module estimated to be 617.4 ˚C.
Density:
Based on estimation done using ACD/I-Lab 2.0,the density of 3-(3-hydroxypropyl)-8-[(3-hydroxypropyl)amino]-3-azatricyclo[7.3.1.0⁵,¹³]trideca-1(13),5,7,9,11-pentaene-2,4-dione was estimated to be 1.378 g/cm3 at 20 Deg C & 760 Torr.
Particle size distribution:
The particle size distribution of 3-(3-hydroxypropyl)-8-[(3-hydroxypropyl)amino]-3-azatricyclo[7.3.1.0⁵,¹³]trideca-1(13),5,7,9,11-pentaene-2,4-dione was determined by granulometric analysis with rotap sieve shaker. The particle size distribution was determined to be in the range of 150 micron to 53 micron.
Vapour pressure:
Modified Grain method was used to estimate the vapour pressure of 3-(3-hydroxypropyl)-8-[(3-hydroxypropyl)amino]-3 -azatricyclo[7.3.1.0⁵,¹³]trideca-1(13),5,7,9,11 -pentaene-2,4 -dione using MPBPVP v1.43 of EPI SUITE.
The estimated vapour pressure of 3 -(3 -hydroxypropyl)-8 -[(3 -hydroxypropyl)amino]-3 -azatricyclo[7.3.1.0⁵,¹³]trideca-1(13),5,7,9,11 -pentaene-2,4-dione at 25 deg C was 5.7E-015 Pa.
Partition coefficient
Based on the available data from authoritative modelling databases, the partition coefficient (log Pow) value of the test substance 3 -(3 -hydroxypropyl)-8 -[(3 -hydroxypropyl)amino]-3 -azatricyclo[7.3.1.0⁵,¹³]trideca-1(13),5,7,9,11 -pentaene-2,4 -dionewas estimated to be 1.28.
Water solubility:
WSKOW v1.42 was used to estimate the water solubility of 3 -(3 -hydroxypropyl)-8 -[(3 -hydroxypropyl)amino]-3 -azatricyclo[7.3.1.0⁵,¹³]trideca-1(13),5,7,9,11 -pentaene-2,4-dione.
The estimated water solubility of 3 -(3 -hydroxypropyl)-8 -[(3 -hydroxypropyl)amino]-3 -azatricyclo[7.3.1.0⁵,¹³]trideca-1(13),5,7,9,11 -pentaene-2,4 -dione at 25 deg C was 52.81 mg/l.
Based on the estimated value, 3 -(3 -hydroxypropyl)-8-[(3-hydroxypropyl)amino]-3-azatricyclo[7.3.1.0⁵,¹³]trideca-1(13),5,7,9,11-pentaene-2,4-dione was slightly soluble in water.
Surface tension:
Based on the data from ACD labs, surface tension for 3-(3-hydroxypropyl)-8-[(3-hydroxypropyl)amino]-3-azatricyclo[7.3.1.0⁵,¹³]trideca-1(13),5,7,9,11-pentaene-2,4-dione was estimated to be 0.0723 N/m.
Flash point:
Flash point of 3-(3-hydroxypropyl)-8-[(3-hydroxypropyl)amino]-3-azatricyclo[7.3.1.0⁵,¹³]trideca-1(13),5,7,9,11-pentaene-2,4 -dione is estimated to be 327.2 Deg C
Auto flammability:
3-(3-hydroxypropyl)-8-[(3-hydroxypropyl)amino]-3-azatricyclo[7.3.1.0⁵,¹³]trideca-1(13),5,7,9,11-pentaene-2,4-dione did not catch fire on being exposed to air at room temperature of 27°Cpressure of 966 hPa. This indicates that 3-(3 -hydroxypropyl)-8-[(3-hydroxypropyl)amino]-3-azatricyclo[7.3.1.0⁵,¹³]trideca-1(13),5,7,9,11-pentaene-2,4-dione is not auto-flammable.
Flammability:
3-(3 -hydroxypropyl)-8 -[(3 -hydroxypropyl)amino]-3 -azatricyclo[7.3.1.0⁵,¹³]trideca-1(13),5,7,9,11 -pentaene-2,4 -dione 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 3 -(3 -hydroxypropyl)-8 -[(3 -hydroxypropyl)amino]-3 -azatricyclo[7.3.1.0⁵,¹³]trideca-1(13),5,7,9,11 -pentaene-2,4 -dione is not flammable at high temperature. However since such high temperatures are not found under normal circumstances of transportation and use, thus 3 -(3 -hydroxypropyl)-8 -[(3 -hydroxypropyl)amino]-3 -azatricyclo[7.3.1.0⁵,¹³]trideca-1(13),5,7,9,11 -pentaene-2,4 -dione 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
Oxidizing properties:
the study does not need to be conducted because the organic substance contains oxygen or halogen atoms which are chemically bonded only to carbon or hydrogen and hence, the classification procedure does not need to be applied.
Additional information
Appearance:
3-(3-hydroxypropyl)-8-[(3-hydroxypropyl)amino]-3-azatricyclo[7.3.1.0⁵,¹³]trideca-1(13),5,7,9,11-pentaene-2,4-dione appears as a solid powder having yellow color & no odor.
Melting point:
Melting point of 3-(3-hydroxypropyl)-8-[(3-hydroxypropyl)amino]-3-azatricyclo[7.3.1.0⁵,¹³]trideca-1(13) ,5,7,9,11-pentaene-2,4-dione is determined to be in the range of 210 to 211 deg C. Other modelling database also concluded melting point of 3-(3-hydroxypropyl)-8-[(3-hydroxypropyl)amino]-3-azatricyclo[7.3.1.0⁵,¹³]trideca-1(13) ,5,7,9,11 -pentaene-2,4 -dione to be 263.69 Deg C.
Boiling Point:
Based on estimation done using MPBPVP v1.43,the Boiling point of 3 -(3 -hydroxypropyl)-8-[(3 -hydroxypropyl)amino]-3 -azatricyclo[7.3.1.0⁵,¹³]trideca-1(13),5,7,9,11-pentaene-2,4-dione was estimated to be 609.37˚C.
The predicted value of boiling point from other authorative database of 3-(3-hydroxypropyl)-8-[(3-hydroxypropyl)amino]-3 -azatricyclo[7.3.1.0⁵,¹³]trideca-1(13),5,7,9,11-pentaene-2,4-dione from module estimated to be 617.4 ˚C.
Density:
Based on estimation done using ACD/I-Lab 2.0,the density of 3-(3-hydroxypropyl)-8-[(3-hydroxypropyl)amino]-3-azatricyclo[7.3.1.0⁵,¹³]trideca-1(13),5,7,9,11-pentaene-2,4-dione was estimated to be 1.378 g/cm3 at 20 Deg C & 760 Torr.
Particle size distribution:
The particle size distribution of 3-(3-hydroxypropyl)-8-[(3-hydroxypropyl)amino]-3-azatricyclo[7.3.1.0⁵,¹³]trideca-1(13),5,7,9,11-pentaene-2,4-dione was determined by granulometric analysis with rotap sieve shaker. The particle size distribution was determined to be in the range of 150 micron to 53 micron.
Vapour pressure:
Modified Grain method was used to estimate the vapour pressure of 3-(3-hydroxypropyl)-8-[(3-hydroxypropyl)amino]-3 -azatricyclo[7.3.1.0⁵,¹³]trideca-1(13),5,7,9,11 -pentaene-2,4 -dione using MPBPVP v1.43 of EPI SUITE.
The estimated vapour pressure of 3 -(3 -hydroxypropyl)-8 -[(3 -hydroxypropyl)amino]-3 -azatricyclo[7.3.1.0⁵,¹³]trideca-1(13),5,7,9,11 -pentaene-2,4-dione at 25 deg C was 5.7E-015 Pa.
Partition coefficient
Based on the available data from authoritative modelling databases, the partition coefficient (log Pow) value of the test substance3 -(3 -hydroxypropyl)-8 -[(3 -hydroxypropyl)amino]-3 -azatricyclo[7.3.1.0⁵,¹³]trideca-1(13),5,7,9,11 -pentaene-2,4 -dionewas estimated to be 1.28.
Water solubility:
WSKOW v1.42 was used to estimate the water solubility of 3 -(3 -hydroxypropyl)-8 -[(3 -hydroxypropyl)amino]-3 -azatricyclo[7.3.1.0⁵,¹³]trideca-1(13),5,7,9,11 -pentaene-2,4-dione.
The estimated water solubility of 3 -(3 -hydroxypropyl)-8 -[(3 -hydroxypropyl)amino]-3 -azatricyclo[7.3.1.0⁵,¹³]trideca-1(13),5,7,9,11 -pentaene-2,4 -dione at 25 deg C was 52.81 mg/l.
Based on the estimated value, 3 -(3 -hydroxypropyl)-8-[(3-hydroxypropyl)amino]-3-azatricyclo[7.3.1.0⁵,¹³]trideca-1(13),5,7,9,11-pentaene-2,4-dione was slightly soluble in water.
Surface tension:
Based on the data from ACD labs, surface tension for 3-(3-hydroxypropyl)-8-[(3-hydroxypropyl)amino]-3-azatricyclo[7.3.1.0⁵,¹³]trideca-1(13),5,7,9,11-pentaene-2,4-dione was estimated to be 0.0723 N/m.
Flash point:
Flash point of 3-(3-hydroxypropyl)-8-[(3-hydroxypropyl)amino]-3-azatricyclo[7.3.1.0⁵,¹³]trideca-1(13),5,7,9,11-pentaene-2,4 -dione is estimated to be 327.2 Deg C
Auto flammability:
3-(3-hydroxypropyl)-8-[(3-hydroxypropyl)amino]-3-azatricyclo[7.3.1.0⁵,¹³]trideca-1(13),5,7,9,11-pentaene-2,4-dione did not catch fire on being exposed to air at room temperature of 27°Cpressure of 966 hPa. This indicates that 3-(3 -hydroxypropyl)-8-[(3-hydroxypropyl)amino]-3-azatricyclo[7.3.1.0⁵,¹³]trideca-1(13),5,7,9,11-pentaene-2,4-dione is not auto-flammable.
Flammability:
3-(3 -hydroxypropyl)-8 -[(3 -hydroxypropyl)amino]-3 -azatricyclo[7.3.1.0⁵,¹³]trideca-1(13),5,7,9,11 -pentaene-2,4 -dione 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 3 -(3 -hydroxypropyl)-8 -[(3 -hydroxypropyl)amino]-3 -azatricyclo[7.3.1.0⁵,¹³]trideca-1(13),5,7,9,11 -pentaene-2,4 -dione is not flammable at high temperature. However since such high temperatures are not found under normal circumstances of transportation and use, thus 3 -(3 -hydroxypropyl)-8 -[(3 -hydroxypropyl)amino]-3 -azatricyclo[7.3.1.0⁵,¹³]trideca-1(13),5,7,9,11 -pentaene-2,4 -dione 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
Oxidizing properties:
the study does not need to be conducted because the organic substance contains oxygen or halogen atoms which are chemically bonded only to carbon or hydrogen and hence, the classification procedure does not need to be applied.
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
Reproduction or further distribution of this information may be subject to copyright protection. Use of the information without obtaining the permission from the owner(s) of the respective information might violate the rights of the owner.
