Registration Dossier
Registration Dossier
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EC number: 227-572-6 | CAS number: 5892-47-7
Phototransformation in air
Administrative data
- Endpoint:
- phototransformation in air
- Type of information:
- calculation (if not (Q)SAR)
- Adequacy of study:
- supporting study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- accepted calculation method
Data source
Materials and methods
- GLP compliance:
- no
Test material
- Reference substance name:
- 2,4,6-tri-sec-butylphenol
- EC Number:
- 227-572-6
- EC Name:
- 2,4,6-tri-sec-butylphenol
- Cas Number:
- 5892-47-7
- Molecular formula:
- C18H30O
- IUPAC Name:
- 2,4,6-tris(butan-2-yl)phenol
- Details on test material:
- SMILES : c1(C(C)CC)cc(C(C)CC)cc(C(C)CC)c1O
Constituent 1
Study design
- Estimation method (if used):
- Calculation done with EPIWIN v 4.1 AOP Program (v1.92)
Results and discussion
Dissipation half-life of parent compound
- DT50:
- 0.36 d
Any other information on results incl. tables
AOP Program (v1.92) Results:
===========================
SMILES : c1(C(C)CC)cc(C(C)CC)cc(C(C)CC)c1O
MOL FOR: C18 H30 O1
MOL WT : 262.44
------------------- SUMMARY (AOP v1.92): HYDROXYL RADICALS (25 deg C) --------
Hydrogen Abstraction = 11.6087 E-12 cm3/molecule-sec
Reaction with N, S and -OH = 0.1400 E-12 cm3/molecule-sec
Addition to Triple Bonds = 0.0000 E-12 cm3/molecule-sec
Addition to Olefinic Bonds = 0.0000 E-12 cm3/molecule-sec
**Addition to Aromatic Rings = 17.9250 E-12 cm3/molecule-sec
Addition to Fused Rings = 0.0000 E-12 cm3/molecule-sec
OVERALL OH Rate Constant = 29.6738 E-12 cm3/molecule-sec
HALF-LIFE = 0.360 Days (12-hr day; 1.5E6 OH/cm3)
HALF-LIFE = 4.325 Hrs
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.
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.
