Registration Dossier
Registration Dossier
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EC number: 932-286-6 | CAS number: -
Phototransformation in air
Administrative data
- Endpoint:
- phototransformation in air
- Type of information:
- (Q)SAR
- Adequacy of study:
- other information
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: Accepted calculation method
- Justification for type of information:
- QSAR prediction: migrated from IUCLID 5.6
Data source
Reference
- Reference Type:
- other: EPISUITE calculation
- Title:
- Unnamed
- Year:
- 2 010
- Report date:
- 2010
Materials and methods
- Principles of method if other than guideline:
- other: Calculation with AopWin Progam (v1.92), part of EpiSuite
- GLP compliance:
- no
Test material
- Reference substance name:
- 2,2,4,6,6-pentamethylheptane-4-thiol
- EC Number:
- 296-714-7
- EC Name:
- 2,2,4,6,6-pentamethylheptane-4-thiol
- Cas Number:
- 93002-38-1
- Molecular formula:
- C12H26S
- IUPAC Name:
- 2,2,4,6,6-pentamethylheptane-4-thiol
- Details on test material:
- - Smiles notation: CC(C)(C)CC(C)(S)CC(C)(C)C
Constituent 1
Study design
- Estimation method (if used):
- PHOTOCHEMICAL REACTION WITH OH RADICALS
- Calculation program: SRC AOPWIN v1.92
- Calculation based on a 24-hour day
- Concentration of OH radicals: 500000 OH/cm³
- OVERALL OH rate constant: 36.4971 E-12 cm³/mol-sec
- Temperature for which rate constant was calculated: 25 °C - Details on test conditions:
- Sensitiser (for indirect photolysis): OH
Sensitiser concentration: 500000 molecule/cm³
Results and discussion
Dissipation half-life of parent compound
- DT50:
- 10.55 h
- Test condition:
- OH reaction, 25 °C, 24 h day, 0.5E6 OH/cm³
Applicant's summary and conclusion
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.
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