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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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: 203-055-0 | CAS number: 102-79-4
Phototransformation in air
Administrative data
Link to relevant study record(s)
- Endpoint:
- phototransformation in air
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- Study period:
- 16 JUN 2022
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- results derived from a valid (Q)SAR model and falling into its applicability domain, with adequate and reliable documentation / justification
- Justification for type of information:
- 1. SOFTWARE
OECD QSAR toolbox v4.5
2. MODEL (incl. version number)
AOPWIN v1.93
3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL
CCCCN(CCO)CCO
4. SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL
Please refer to the QMRF attached under 'Attached justification'.
5. APPLICABILITY DOMAIN
Please refer to the QPRF attached under 'Attached justification'. - Guideline:
- other: REACH Guidance on QSARs R. 6
- Version / remarks:
- May 2008
- Principles of method if other than guideline:
- Software tool(s) used including version: OECD QSAR toolbox v4.5, EPI Suite v4.11
- Model(s) used: AOPWIN v1.93
- Model description: see field 'Attached justification'
- Justification of QSAR prediction: see field 'Justification for type of information', 'Attached justification' - Specific details on test material used for the study:
- CCCCN(CCO)CCO
- DT50:
- 0.098 d
- Reaction with:
- OH radicals
- Rate constant:
- 0 cm³ molecule-1 s-1
- Transformation products:
- no
- Validity criteria fulfilled:
- not applicable
- Conclusions:
- Half-life = 0.098 days (12 hr day; 1.5E6 OH/cm³)
- Executive summary:
AOPWIN v1.93 was used to calculate the phototransformation in air for test item. The estimated half-life is based on the reaction with OH radicals (concentration = 1.5 E6 molecule/cm³). The overall OH rate constant is estimated as 109.1030 E-12 cm³/molecule*sec. 50 % degradation occurs within 0.098 days, taking a 12 hour - day into account.
Reference
Description of key information
AOPWIN v1.93: DT50 = 0.098 days (12-hr day); overall OH rate constant 109.1030 E-12 cm³/molecule*sec
Key value for chemical safety assessment
- Half-life in air:
- 0.098 d
Additional information
AOPWIN v1.93 was used to calculate the phototransformation in air for test item. The estimated half-life is based on the reaction with OH radicals (concentration = 1.5 E6 molecule/cm³). The overall OH rate constant is estimated as 109.1030 E-12 cm³/molecule*sec. 50 % degradation occurs within 0.098 days, taking a 12 hour - day into account.
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.
