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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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: 619-013-3 | CAS number: 94345-95-6
Boiling point
Administrative data
Link to relevant study record(s)
- Endpoint:
- boiling point
- Type of information:
- (Q)SAR
- Adequacy of study:
- supporting study
- Study period:
- 2021
- Reliability:
- 2 (reliable with restrictions)
- Qualifier:
- no guideline followed
- Principles of method if other than guideline:
- The estimation methodology for boiling point is adapted from the Adapted Stein & Brown method
- GLP compliance:
- no
- Type of method:
- other: calcucation by QSAR
- Specific details on test material used for the study:
- The following SMILES code was entered: COc1ccc(cc1)Oc2c(cc(cc2I)CC(C(=O)O)N)I
- Boiling pt.:
- >= 610.32 °C
- Conclusions:
- The boiling temperature was calculated to 610,32 °C.
- Executive summary:
The boiling temperature was calculated to 463 °C using the MPBPVP v1.43 tool within EpiSuite v4.1 programme.
Reference
Description of key information
The test item is suspected to docompose between 180 and 205 °C.
Key value for chemical safety assessment
Additional information
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.
